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234,440 Structures from the PDB

1,068,577 Computed Structure Models (CSM)

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QUERY: Enzyme Classification Number = 3.1.1.1

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Search Summary

This query matches 145 Structures.

Refinements

Structure Determination Methodology

experimental (145)

Scientific Name of Source Organism

	Homo sapiens (31)
	Thermogutta terrifontis (15)
	Lactiplantibacillus plantarum WCFS1 (7)
	Arabidopsis thaliana (6)
	uncultured bacterium (6)
	Geobacillus stearothermophilus (5)
	Sulfurisphaera tokodaii (5)
	Saccharolobus shibatae (4)
	Staphylococcus aureus USA300-CA-263 (4)
	Thermobifida fusca (4)

More...

Taxonomy

	Bacteria (77)
	Eukaryota (52)
	Archaea (15)
	unclassified sequences (1)

Experimental Method

	X-RAY DIFFRACTION (140)
	ELECTRON MICROSCOPY (5)

Polymer Entity Type

Protein (145)

Refinement Resolution (Å)

	1.0 - 1.5 (15)
	1.5 - 2.0 (50)
	2.0 - 2.5 (46)
	2.5 - 3.0 (22)
	3.0 - 3.5 (12)

Release Date

	1995 - 1999 (2)
	2000 - 2004 (12)
	2005 - 2009 (25)
	2010 - 2014 (34)
	2015 - 2019 (39)
	2020 - 2024 (25)
	2025 - 2029 (8)

Enzyme Classification Name

Hydrolases (145)

Membrane Protein Annotation

	MemProtMD (1)
	OPM (1)
	PDBTM (1)
	mpstruc (1)

Symmetry Type

	Asymmetric (84)
	Cyclic (54)
	Dihedral (19)

SCOP Classification

	Alpha and beta proteins (a/b) (77)
	Artifacts (16)
	All beta proteins (3)
	Multi-domain proteins (alpha and beta) (2)

AllSelected

1 to 25 of 145 Structures

Page 1 of 6

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1AUO \| pdb_00001auo	Download File View File

CARBOXYLESTERASE FROM PSEUDOMONAS FLUORESCENS

Kim, K.K., Song, H.K., Suh, S.W.

(1997) Structure 5: 1571-1584

Released	1998-03-04
Method	X-RAY DIFFRACTION 1.8 Å
Organisms	Pseudomonas fluorescens
Macromolecule	CARBOXYLESTERASE (protein)

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1AUR \| pdb_00001aur	Download File View File

PMSF-INHIBITED CARBOXYLESTERASE FROM PSEUDOMONAS FLUORESCENS

Kim, K.K., Song, H.K., Suh, S.W.

(1997) Structure 5: 1571-1584

Released	1998-03-04
Method	X-RAY DIFFRACTION 2.5 Å
Organisms	Pseudomonas fluorescens
Macromolecule	CARBOXYLESTERASE (protein)
Unique Ligands	PMS

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1CI8 \| pdb_00001ci8	Download File View File

ESTERASE ESTB FROM BURKHOLDERIA GLADIOLI: AN ESTERASE WITH (BETA)-LACTAMASE FOLD.

Wagner, U.G., Petersen, E.I., Schwab, H., Kratky, C.

(2002) Protein Sci 11: 467-478

Released	2001-12-12
Method	X-RAY DIFFRACTION 2 Å
Organisms	Burkholderia gladioli
Macromolecule	PROTEIN (CARBOXYLESTERASE) (protein)
Unique Ligands	IPA

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1CI9 \| pdb_00001ci9	Download File View File

DFP-INHIBITED ESTERASE ESTB FROM BURKHOLDERIA GLADIOLI

Wagner, U.G., Petersen, E.I., Schwab, H., Kratky, C.

(2002) Protein Sci 11: 467-478

Released	2001-12-12
Method	X-RAY DIFFRACTION 1.8 Å
Organisms	Burkholderia gladioli
Macromolecule	PROTEIN (CARBOXYLESTERASE) (protein)
Unique Ligands	DFP

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1EVQ \| pdb_00001evq	Download File View File

THE CRYSTAL STRUCTURE OF THE THERMOPHILIC CARBOXYLESTERASE EST2 FROM ALICYCLOBACILLUS ACIDOCALDARIUS

De Simone, G., Galdiero, S., Manco, G., Lang, D., Rossi, M., Pedone, C.

(2000) J Mol Biology 303: 761-771

Released	2000-11-22
Method	X-RAY DIFFRACTION 2.6 Å
Organisms	Alicyclobacillus acidocaldarius
Macromolecule	SERINE HYDROLASE (protein)
Unique Ligands	EPE, TRS

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1JJI \| pdb_00001jji	Download File View File

The Crystal Structure of a Hyper-thermophilic Carboxylesterase from the Archaeon Archaeoglobus fulgidus

De Simone, G., Menchise, V., Manco, G., Mandrich, L., Sorrentino, N., Lang, D., Rossi, M., Pedone, C.

(2001) J Mol Biology 314: 507-518

Released	2001-12-05
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Archaeoglobus fulgidus
Macromolecule	Carboxylesterase (protein)
Unique Ligands	EPE

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1K4Y \| pdb_00001k4y	Download File View File

Crystal Structure of Rabbit Liver Carboxylesterase in Complex with 4-piperidino-piperidine

Bencharit, S., Morton, C.L., Howard-Williams, E.L., Danks, M.K., Potter, P.M., Redinbo, M.R.

(2002) Nat Struct Biol 9: 337-342

Released	2002-05-01
Method	X-RAY DIFFRACTION 2.5 Å
Organisms	Oryctolagus cuniculus
Macromolecule	LIVER CARBOXYLESTERASE (protein)
Unique Ligands	4PN
Unique branched monosaccharides	MAN, NAG

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1L7Q \| pdb_00001l7q	Download File View File

Ser117Ala Mutant of Bacterial Cocaine Esterase cocE

Turner, J.M., Larsen, N.A., Basran, A., Barbas III, C.F., Bruce, N.C., Wilson, I.A., Lerner, R.A.

(2002) Biochemistry 41: 12297-12307

Released	2003-02-11
Method	X-RAY DIFFRACTION 1.76 Å
Organisms	Rhodococcus sp. MB1
Macromolecule	cocaine esterase (protein)
Unique Ligands	BEZ

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1L7R \| pdb_00001l7r	Download File View File

Tyr44Phe Mutant of Bacterial Cocaine Esterase cocE

Turner, J.M., Larsen, N.A., Basran, A., Barbas III, C.F., Bruce, N.C., Wilson, I.A., Lerner, R.A.

(2002) Biochemistry 41: 12297-12307

Released	2003-02-11
Method	X-RAY DIFFRACTION 1.64 Å
Organisms	Rhodococcus sp. MB1
Macromolecule	cocaine esterase (protein)

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1MX1 \| pdb_00001mx1	Download File View File

Crystal Structure of Human Liver Carboxylesterase in complex with tacrine

Bencharit, S., Morton, C.L., Hyatt, J.L., Kuhn, P., Danks, M.K., Potter, P.M., Redinbo, M.R.

(2003) Chem Biol 10: 341-349

Released	2003-04-22
Method	X-RAY DIFFRACTION 2.4 Å
Organisms	Homo sapiens
Macromolecule	liver Carboxylesterase I (protein)
Unique Ligands	NAG, SIA, THA
Unique branched monosaccharides	NAG, NDG

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1MX5 \| pdb_00001mx5	Download File View File

Crystal Structure of Human Liver Carboxylesterase in complexed with homatropine, a cocaine analogue

Bencharit, S., Morton, C.L., Xue, Y., Potter, P.M., Redinbo, M.R.

(2003) Nat Struct Biol 10: 349-356

Released	2003-04-08
Method	X-RAY DIFFRACTION 2.8 Å
Organisms	Homo sapiens
Macromolecule	liver Carboxylesterase I (protein)
Unique Ligands	CL, HTQ, NAG, SIA

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1MX9 \| pdb_00001mx9	Download File View File

Crystal Structure of Human Liver Carboxylesterase in complexed with naloxone methiodide, a heroin analogue

Bencharit, S., Morton, C.L., Xue, Y., Potter, P.M., Redinbo, M.R.

(2003) Nat Struct Biol 10: 349-356

Released	2003-04-08
Method	X-RAY DIFFRACTION 2.9 Å
Organisms	Homo sapiens
Macromolecule	liver Carboxylesterase I (protein)
Unique Ligands	NAG, NLX

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1R1D \| pdb_00001r1d	Download File View File

Structure of a Carboxylesterase from Bacillus stearothermophilus

Cuff, M.E., Zhou, M., Collart, F., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)

To be published

Released	2004-03-02
Method	X-RAY DIFFRACTION 2 Å
Organisms	Geobacillus stearothermophilus
Macromolecule	Carboxylesterase (protein)
Unique Ligands	EPE

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1TQH \| pdb_00001tqh	Download File View File

Covalent Reaction intermediate Revealed in Crystal Structure of the Geobacillus stearothermophilus Carboxylesterase Est30

Liu, P., Wang, Y.F., Ewis, H.E., Abdelal, A.T., Lu, C.D., Harrison, R.W., Weber, I.T.

(2004) J Mol Biology 342: 551-561

Released	2004-09-28
Method	X-RAY DIFFRACTION 1.63 Å
Organisms	Geobacillus stearothermophilus
Macromolecule	Carboxylesterase precursor (protein)
Unique Ligands	4PA, SO4

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1YA4 \| pdb_00001ya4	Download File View File

Crystal Structure of Human Liver Carboxylesterase 1 in complex with tamoxifen

Fleming, C.D., Bencharit, S., Edwards, C.C., Hyatt, J.L., Morton, C.L., Howard-Williams, E.L., Potter, P.M., Redinbo, M.R.

(2005) J Mol Biology 352: 165-177

Released	2005-08-02
Method	X-RAY DIFFRACTION 3.2 Å
Organisms	Homo sapiens
Macromolecule	CES1 protein (protein)
Unique Ligands	CTX, NAG, SIA, SO4

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1YA8 \| pdb_00001ya8	Download File View File

Crystal Structure of Human Liver Carboxylesterase in complex with cleavage products of Mevastatin

Fleming, C.D., Bencharit, S., Edwards, C.C., Hyatt, J.L., Morton, C.L., Howard-Williams, E.L., Potter, P.M., Redinbo, M.R.

(2005) J Mol Biology 352: 165-177

Released	2005-08-02
Method	X-RAY DIFFRACTION 3 Å
Organisms	Homo sapiens
Macromolecule	CES1 protein (protein)
Unique Ligands	MVB, NAG, SIA, SMB, SO4

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1YAH \| pdb_00001yah	Download File View File

Crystal Structure of Human Liver Carboxylesterase complexed to Etyl Acetate; A Fatty Acid Ethyl Ester Analogue

Fleming, C.D., Bencahrit, S., Edwards, C.C., Hyatt, J.L., Morton, C.L., Howard-Williams, E.L., Potter, P.M., Redinbo, M.R.

(2005) J Mol Biology 352: 165-177

Released	2005-08-02
Method	X-RAY DIFFRACTION 3 Å
Organisms	Homo sapiens
Macromolecule	CES1 protein (protein)
Unique Ligands	EEE, NAG, SIA, SO4

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1YAJ \| pdb_00001yaj	Download File View File

Crystal Structure of Human Liver Carboxylesterase in complex with benzil

Fleming, C.D., Bencharit, S., Edwards, C.C., Hyatt, J.L., Morton, C.M., Howard-Williams, E.L., Potter, P.M., Redinbo, M.R.

(2005) J Mol Biology 352: 165-177

Released	2005-08-02
Method	X-RAY DIFFRACTION 3.2 Å
Organisms	Homo sapiens
Macromolecule	CES1 protein (protein)
Unique Ligands	BEZ, NAG, SIA, SO4

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2C7B \| pdb_00002c7b	Download File View File

The Crystal Structure of EstE1, a New Thermophilic and Thermostable Carboxylesterase Cloned from a Metagenomic Library

Byun, J.-S., Rhee, J.-K., Kim, D.-U., Oh, J.-W., Cho, H.-S.

(2007) BMC Struct Biol 7: 47

Released	2005-12-01
Method	X-RAY DIFFRACTION 2.3 Å
Organisms	uncultured archaeon
Macromolecule	CARBOXYLESTERASE (protein)

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2DQY \| pdb_00002dqy	Download File View File

Crystal structure of human carboxylesterase in complex with cholate and palmitate

Bencharit, S., Edwards, C.C., Morton, C.L., Howard-Williams, E.L., Potter, P.M., Redinbo, M.R.

(2006) J Mol Biology 363: 201-214

Released	2006-08-29
Method	X-RAY DIFFRACTION 3 Å
Organisms	Homo sapiens
Macromolecule	Liver carboxylesterase 1 (protein)
Unique Ligands	CHD, NAG, PLM, SIA, SO4

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2DQZ \| pdb_00002dqz	Download File View File

Crystal structure of human carboxylesterase in complex with homatropine, coenzyme A, and palmitate

Bencharit, S., Redinbo, M.R.

(2006) J Mol Biology 363: 201-214

Released	2006-08-29
Method	X-RAY DIFFRACTION 2.8 Å
Organisms	Homo sapiens
Macromolecule	Liver carboxylesterase 1 (protein)
Unique Ligands	COA, F, HTQ, NAG, PLM, SIA, SO4

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2DR0 \| pdb_00002dr0	Download File View File

Crystal structure of human carboxylesterase in complex with taurocholate

Bencharit, S., Redinbo, M.R.

(2006) J Mol Biology 363: 201-214

Released	2006-08-29
Method	X-RAY DIFFRACTION 3.2 Å
Organisms	Homo sapiens
Macromolecule	Liver carboxylesterase 1 (protein)
Unique Ligands	NAG, SIA, SO4, TCH

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2H1I \| pdb_00002h1i	Download File View File

Crystal Structure of the Bacillus cereus Carboxylesterase

Minasov, G., Shuvalova, L., Collart, F.R., Joachimiak, A., Anderson, W.F., Midwest Center for Structural Genomics (MCSG)

To be published

Released	2006-05-30
Method	X-RAY DIFFRACTION 2.8 Å
Organisms	Bacillus cereus ATCC 14579
Macromolecule	Carboxylesterase (protein)
Unique Ligands	CA, CL, ZN

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2H7C \| pdb_00002h7c	Download File View File

Crystal structure of human carboxylesterase in complex with Coenzyme A

Bencharit, S., Edwards, C.C., Morton, C.L., Howard-Williams, E.L., Potter, P.M., Redinbo, M.R.

(2006) J Mol Biology 363: 201-214

Released	2006-08-29
Method	X-RAY DIFFRACTION 2 Å
Organisms	Homo sapiens
Macromolecule	Liver carboxylesterase 1 (protein)
Unique Ligands	COA, NAG, SIA, SO4
Unique branched monosaccharides	NAG