RCSB PDB: Search

1YJQ \| pdb_00001yjq	Download File View File

Crystal structure of ketopantoate reductase in complex with NADP+

Lobley, C.M.C., Ciulli, A., Whitney, H.M., Williams, G., Smith, A.G., Abell, C., Blundell, T.L.

(2005) Biochemistry 44: 8930-8939

Released	2005-06-28
Method	X-RAY DIFFRACTION 2.09 Å
Organisms	Escherichia coli
Macromolecule	2-dehydropantoate 2-reductase (protein)
Unique Ligands	ACT, MPD, NAP

Explore in 3D

1YON \| pdb_00001yon	Download File View File

Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate

Ciulli, A., Lobley, C.M.C., Tuck, K.L., Williams, G., Smith, A.G., Blundell, T.L., Abell, C.

(2007) Acta Crystallogr D Biol Crystallogr 63: 171-178

Released	2006-04-18
Method	X-RAY DIFFRACTION 1.95 Å
Organisms	Escherichia coli
Macromolecule	2-dehydropantoate 2-reductase (protein)
Unique Ligands	A2R

Explore in 3D

2W1C \| pdb_00002w1c	Download File View File

Structure determination of Aurora Kinase in complex with inhibitor

Howard, S., Berdini, V., Boulstridge, J.A., Carr, M.G., Cross, D.M., Curry, J., Devine, L.A., Early, T.R., Fazal, L., Gill, A.L., Heathcote, M., Maman, S., Matthews, J.E., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Rees, D.C., Reule, M., Tisi, D., Williams, G., Vinkovic, M., Wyatt, P.G.

(2009) J Med Chem 52: 379

Released	2009-01-27
Method	X-RAY DIFFRACTION 3.24 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE 6 (protein)
Unique Ligands	L0C

Explore in 3D

2W1D \| pdb_00002w1d	Download File View File

Structure determination of Aurora Kinase in complex with inhibitor

Howard, S., Berdini, V., Boulstridge, J.A., Carr, M.G., Cross, D.M., Curry, J., Devine, L.A., Early, T.R., Fazal, L., Gill, A.L., Heathcote, M., Maman, S., Matthews, J.E., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Rees, D.C., Reule, M., Tisi, D., Williams, G., Vinkovic, M., Wyatt, P.G.

(2009) J Med Chem 52: 379

Released	2009-01-27
Method	X-RAY DIFFRACTION 2.97 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE 6 (protein)
Unique Ligands	L0D

Explore in 3D

2W1E \| pdb_00002w1e	Download File View File

Structure determination of Aurora Kinase in complex with inhibitor

Howard, S., Berdini, V., Boulstridge, J.A., Carr, M.G., Cross, D.M., Curry, J., Devine, L.A., Early, T.R., Fazal, L., Gill, A.L., Heathcote, M., Maman, S., Matthews, J.E., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Rees, D.C., Reule, M., Tisi, D., Williams, G., Vinkovic, M., Wyatt, P.G.

(2009) J Med Chem 52: 379

Released	2009-01-27
Method	X-RAY DIFFRACTION 2.93 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE 6 (protein)
Unique Ligands	L0E

Explore in 3D

2W1F \| pdb_00002w1f	Download File View File

Structure determination of Aurora Kinase in complex with inhibitor

Howard, S., Berdini, V., Boulstridge, J.A., Carr, M.G., Cross, D.M., Curry, J., Devine, L.A., Early, T.R., Fazal, L., Gill, A.L., Heathcote, M., Maman, S., Matthews, J.E., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Rees, D.C., Reule, M., Tisi, D., Williams, G., Vinkovic, M., Wyatt, P.G.

(2009) J Med Chem 52: 379

Released	2009-01-27
Method	X-RAY DIFFRACTION 2.85 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE 6 (protein)
Unique Ligands	L0F

Explore in 3D

2W1G \| pdb_00002w1g	Download File View File

Structure determination of Aurora Kinase in complex with inhibitor

Howard, S., Berdini, V., Boulstridge, J.A., Carr, M.G., Cross, D.M., Curry, J., Devine, L.A., Early, T.R., Fazal, L., Gill, A.L., Heathcote, M., Maman, S., Matthews, J.E., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Rees, D.C., Reule, M., Tisi, D., Williams, G., Vinkovic, M., Wyatt, P.G.

(2009) J Med Chem 52: 379

Released	2009-01-27
Method	X-RAY DIFFRACTION 2.71 Å
Organisms	Homo sapiens
Macromolecule	SERINE/THREONINE-PROTEIN KINASE 6 (protein)
Unique Ligands	L0G

Explore in 3D

2W1H \| pdb_00002w1h	Download File View File

Fragment-Based Discovery of the Pyrazol-4-yl urea (AT9283), a Multi- targeted Kinase Inhibitor with Potent Aurora Kinase Activity

Howard, S., Berdini, V., Boulstridge, J.A., Carr, M.G., Cross, D.M., Curry, J., Devine, L.A., Early, T.R., Fazal, L., Gill, A.L., Heathcote, M., Maman, S., Matthews, J.E., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Rees, D.C., Reule, M., Tisi, D., Williams, G., Vinkovic, M., Wyatt, P.G.

(2009) J Med Chem 52: 379

Released	2009-01-27
Method	X-RAY DIFFRACTION 2.15 Å
Organisms	Homo sapiens
Macromolecule	CELL DIVISION PROTEIN KINASE 2 (protein)
Unique Ligands	L0F

Explore in 3D

2W1I \| pdb_00002w1i	Download File View File

Structure determination of Aurora Kinase in complex with inhibitor

Howard, S., Berdini, V., Boulstridge, J.A., Carr, M.G., Cross, D.M., Curry, J., Devine, L.A., Early, T.R., Fazal, L., Gill, A.L., Heathcote, M., Maman, S., Matthews, J.E., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Rees, D.C., Reule, M., Tisi, D., Williams, G., Vinkovic, M., Wyatt, P.G.

(2009) J Med Chem 52: 379

Released	2009-01-27
Method	X-RAY DIFFRACTION 2.6 Å
Organisms	Homo sapiens
Macromolecule	JAK2 (protein)
Unique Ligands	L0I

Explore in 3D

2XAB \| pdb_00002xab	Download File View File

Structure of HSP90 with an inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, m., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., O'Brian, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5956

Released	2010-08-11
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA, (protein)
Unique Ligands	VHD

Explore in 3D

2XDK \| pdb_00002xdk	Download File View File

Structure of HSP90 with small molecule inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5942

Released	2010-09-01
Method	X-RAY DIFFRACTION 1.97 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA (protein)
Unique Ligands	XDK

Explore in 3D

2XDL \| pdb_00002xdl	Download File View File

Structure of HSP90 with small molecule inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5942

Released	2010-09-01
Method	X-RAY DIFFRACTION 1.98 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA (protein)
Unique Ligands	2DL

Explore in 3D

2XDS \| pdb_00002xds	Download File View File

Structure of HSP90 with small molecule inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5942

Released	2010-09-01
Method	X-RAY DIFFRACTION 1.97 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA (protein)
Unique Ligands	DMS, MT0

Explore in 3D

2XDU \| pdb_00002xdu	Download File View File

Structure of HSP90 with small molecule inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5942

Released	2010-09-01
Method	X-RAY DIFFRACTION 1.74 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA (protein)
Unique Ligands	DMS, LGA, MG, MT0

Explore in 3D

2XDX \| pdb_00002xdx	Download File View File

Structure of HSP90 with small molecule inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., O'Brien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5942

Released	2010-09-01
Method	X-RAY DIFFRACTION 2.42 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA (protein)
Unique Ligands	WOE

Explore in 3D

2XHR \| pdb_00002xhr	Download File View File

Structure of HSP90 with small molecule inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5942

Released	2010-09-01
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA (protein)
Unique Ligands	C0P

Explore in 3D

2XHT \| pdb_00002xht	Download File View File

Structure of HSP90 with small molecule inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5942

Released	2010-09-01
Method	X-RAY DIFFRACTION 2.27 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA (protein)
Unique Ligands	C0Y

Explore in 3D

2XHX \| pdb_00002xhx	Download File View File

Structure of HSP90 with small molecule inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5942

Released	2010-09-01
Method	X-RAY DIFFRACTION 2.801 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA (protein)
Unique Ligands	T5M

Explore in 3D

2XJJ \| pdb_00002xjj	Download File View File

Structure of HSP90 with small molecule inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5956

Released	2010-08-11
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA (protein)
Unique Ligands	GOL, L81

Explore in 3D

2XJX \| pdb_00002xjx	Download File View File

Structure of HSP90 with small molecule inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5956

Released	2010-08-11
Method	X-RAY DIFFRACTION 1.66 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA (protein)
Unique Ligands	XJX

Explore in 3D

2XK2 \| pdb_00002xk2	Download File View File

Structure of HSP90 with small molecule inhibitor bound

Murray, C.W., Carr, M.G., Callaghan, O., Chessari, G., Congreve, M., Cowan, S., Coyle, J.E., Downham, R., Figueroa, E., Frederickson, M., Graham, B., McMenamin, R., OBrien, M.A., Patel, S., Phillips, T.R., Williams, G., Woodhead, A.J., Woolford, A.J.A.

(2010) J Med Chem 53: 5942

Released	2010-09-01
Method	X-RAY DIFFRACTION 1.95 Å
Organisms	Homo sapiens
Macromolecule	HEAT SHOCK PROTEIN HSP 90-ALPHA (protein)
Unique Ligands	ADP, MG

Explore in 3D

4AUA \| pdb_00004aua	Download File View File

Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6)

Cho, Y.S., Angove, H., Brain, C., Chen, C.H.T., Cheng, R., Chopra, R., Chung, K., Congreve, M., Dagostin, C., Davis, D., Feltell, R., Giraldes, J., Hiscock, S., Kim, S., Kovats, S., Lagu, B., Lewry, K., Loo, A., Lu, Y., Luzzio, M., Maniara, W., Mcmenamin, R., Mortenson, P., Benning, R., O'Reilly, M., Rees, D., Shen, J., Smith, T., Wang, Y., Williams, G., Woolford, A., Wrona, W., Xu, M., Yang, F., Howard, S.

(2012) ACS Med Chem Lett 3: 445-449

Released	2013-02-06
Method	X-RAY DIFFRACTION 2.31 Å
Organisms	Homo sapiens
Macromolecule	CYCLIN-DEPENDENT KINASE 6 (protein)
Unique Ligands	4AU

Explore in 3D

4ET8 \| pdb_00004et8	Download File View File

Hen egg-white lysozyme solved from 40 fs free-electron laser pulse data

Boutet, S., Lomb, L., Williams, G., Barends, T., Aquila, A., Doak, R.B., Weierstall, U., DePonte, D., Steinbrener, J., Shoeman, R., Messerschmidt, M., Barty, A., White, T., Kassemeyer, S., Kirian, R., Seibert, M., Montanez, P., Kenney, C., Herbst, R., Hart, P., Pines, J., Haller, G., Gruner, S., Philllip, H., Tate, M., Hromalik, M., Koerner, L., van Bakel, N., Morse, J., Ghonsalves, W., Arnlund, D., Bogan, M., Calemann, C., Fromme, R., Hampton, C., Hunter, M., Johansson, L., Katona, G., Kupitz, C., Liang, M., Martin, A., Nass, K., Redecke, L., Stellato, F., Timneanu, N., Wang, D., Zatsepin, N., Schafer, D., Defever, K., Neutze, R., Fromme, P., Spence, J., Chapman, H., Schlichting, I.

(2012) Science 337: 362-364

Released	2012-06-13
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Gallus gallus
Macromolecule	Lysozyme C (protein)
Unique Ligands	CL, NA

Explore in 3D

4ET9 \| pdb_00004et9	Download File View File

Hen egg-white lysozyme solved from 5 fs free-electron laser pulse data

Boutet, S., Lomb, L., Williams, G., Barends, T., Aquila, A., Doak, R.B., Weierstall, U., DePonte, D., Steinbrener, J., Shoeman, R., Messerschmidt, M., Barty, A., White, T., Kassemeyer, S., Kirian, R., Seibert, M., Montanez, P., Kenney, C., Herbst, R., Hart, P., Pines, J., Haller, G., Gruner, S., Philllip, H., Tate, M., Hromalik, M., Koerner, L., van Bakel, N., Morse, J., Ghonsalves, W., Arnlund, D., Bogan, M., Calemann, C., Fromme, R., Hampton, C., Hunter, M., Johansson, L., Katona, G., Kupitz, C., Liang, M., Martin, A., Nass, K., Redecke, L., Stellato, F., Timneanu, N., Wang, D., Zatsepin, N., Schafer, D., Defever, K., Neutze, R., Fromme, P., Spence, J., Chapman, H., Schlichting, I.

(2012) Science 337: 362-364

Released	2012-06-13
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Gallus gallus
Macromolecule	Lysozyme C (protein)
Unique Ligands	CL, NA

Explore in 3D

4ETA \| pdb_00004eta	Download File View File

Lysozyme, room temperature, 400 kGy dose

Boutet, S., Lomb, L., Williams, G., Barends, T., Aquila, A., Doak, R.B., Weierstall, U., DePonte, D., Steinbrener, J., Shoeman, R., Messerschmidt, M., Barty, A., White, T., Kassemeyer, S., Kirian, R., Seibert, M., Montanez, P., Kenney, C., Herbst, R., Hart, P., Pines, J., Haller, G., Gruner, S., Philllip, H., Tate, M., Hromalik, M., Koerner, L., van Bakel, N., Morse, J., Ghonsalves, W., Arnlund, D., Bogan, M., Calemann, C., Fromme, R., Hampton, C., Hunter, M., Johansson, L., Katona, G., Kupitz, C., Liang, M., Martin, A., Nass, K., Redecke, L., Stellato, F., Timneanu, N., Wang, D., Zatsepin, N., Schafer, D., Defever, K., Neutze, R., Fromme, P., Spence, J., Chapman, H., Schlichting, I.

(2012) Science 337: 362-364

Released	2012-06-13
Method	X-RAY DIFFRACTION 1.91 Å
Organisms	Gallus gallus
Macromolecule	Lysozyme C (protein)
Unique Ligands	CL

Prepare Data

Validate Data

Deposit Data

Help and Resources

Structure Determination Methodology

Scientific Name of Source Organism

Taxonomy

Experimental Method

Polymer Entity Type

Refinement Resolution (Å)

Release Date

Enzyme Classification Name

Membrane Protein Annotation

Symmetry Type

SCOP Classification

1YJQ | pdb_00001yjq

1YON | pdb_00001yon

2W1C | pdb_00002w1c

2W1D | pdb_00002w1d

2W1E | pdb_00002w1e

2W1F | pdb_00002w1f

2W1G | pdb_00002w1g

2W1H | pdb_00002w1h

2W1I | pdb_00002w1i

2XAB | pdb_00002xab

2XDK | pdb_00002xdk

2XDL | pdb_00002xdl

2XDS | pdb_00002xds

2XDU | pdb_00002xdu

2XDX | pdb_00002xdx

2XHR | pdb_00002xhr

2XHT | pdb_00002xht

2XHX | pdb_00002xhx

2XJJ | pdb_00002xjj

2XJX | pdb_00002xjx

2XK2 | pdb_00002xk2

4AUA | pdb_00004aua

4ET8 | pdb_00004et8

4ET9 | pdb_00004et9

4ETA | pdb_00004eta