RCSB PDB: Search

2NP8 \| pdb_00002np8	Download File View File

Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors

Tari, L.W., Hoffman, I.D., Bensen, D.C., Hunter, M.J., Nix, J., Nelson, K.J., McRee, D.E., Swanson, R.V.

(2007) Bioorg Med Chem Lett 17: 688-691

Released	2006-12-26
Method	X-RAY DIFFRACTION 2.25 Å
Organisms	Homo sapiens
Macromolecule	Serine/threonine-protein kinase 6 (protein)
Unique Ligands	CC3, SO4

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5TC0 \| pdb_00005tc0	Download File View File

Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate

Hoffman, I.D., Lawson, J.D.

(2017) Bioorg Med Chem Lett 27: 1099-1104

Released	2017-01-25
Method	X-RAY DIFFRACTION 2.24 Å
Organisms	Homo sapiens
Macromolecule	Tyrosine-protein kinase Mer (protein)
Unique Ligands	79Y

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5TD2 \| pdb_00005td2	Download File View File

Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate

Hoffman, I.D., Lawson, J.D.

(2017) Bioorg Med Chem Lett 27: 1099-1104

Released	2017-01-25
Method	X-RAY DIFFRACTION 2.68 Å
Organisms	Homo sapiens
Macromolecule	Tyrosine-protein kinase Mer (protein)
Unique Ligands	7AE

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5TR6 \| pdb_00005tr6	Download File View File

Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK)

Yano, J., Jennings, A., Lam, B., Hoffman, I.D.

(2016) Bioorg Med Chem Lett 26: 5947-5950

Released	2016-11-30
Method	X-RAY DIFFRACTION 1.93 Å
Organisms	Homo sapiens
Macromolecule	Tyrosine-protein kinase SYK (protein)
Unique Ligands	7KG, EDO

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5TT7 \| pdb_00005tt7	Download File View File

Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK)

Yano, J., Jennings, A., Lam, B., Hoffman, I.D.

(2016) Bioorg Med Chem Lett 26: 5947-5950

Released	2016-11-30
Method	X-RAY DIFFRACTION 1.77 Å
Organisms	Homo sapiens
Macromolecule	Tyrosine-protein kinase SYK (protein)
Unique Ligands	7KF

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5U7Q \| pdb_00005u7q	Download File View File

Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones

Hoffman, I.D.

(2017) Bioorg Med Chem 25: 2133-2147

Released	2017-03-29
Method	X-RAY DIFFRACTION 3.15 Å
Organisms	Homo sapiens
Macromolecule	Rho-associated protein kinase 2 (protein)

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5U7R \| pdb_00005u7r	Download File View File

Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones

Hoffman, I.D., Skene, R.J.

(2017) Bioorg Med Chem 25: 2133-2147

Released	2017-03-29
Method	X-RAY DIFFRACTION 3.33 Å
Organisms	Homo sapiens
Macromolecule	Rho-associated protein kinase 2 (protein)
Unique Ligands	81G

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5UAB \| pdb_00005uab	Download File View File

MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody

Hoffman, I.D., Lawson, J.D.

(2017) Mol Cancer Ther 16: 1269-1278

Released	2017-05-31
Method	X-RAY DIFFRACTION 1.9 Å
Organisms	Homo sapiens
Macromolecule	Hepatocyte growth factor receptor (protein)
Unique Ligands	84M, CL, GOL

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5UAD \| pdb_00005uad	Download File View File

MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody

Hoffman, I.D., Lawson, J.D.

(2017) Mol Cancer Ther 16: 1269-1278

Released	2017-05-31
Method	X-RAY DIFFRACTION 2.25 Å
Organisms	Homo sapiens
Macromolecule	Hepatocyte growth factor receptor (protein)
Unique Ligands	84P, CL

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5UUU \| pdb_00005uuu	Download File View File

Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure

Hoffman, I.D., Lawson, J.D.

(2017) J Med Chem 60: 6942-6990

Released	2017-07-26
Method	X-RAY DIFFRACTION 2.7 Å
Organisms	Homo sapiens
Macromolecule	Beta-adrenergic receptor kinase 1 (protein)
Unique Ligands	MES, QRW, SO4

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5UVC \| pdb_00005uvc	Download File View File

Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure

Hoffman, I.D., Lawson, J.D.

(2017) J Med Chem 60: 6942-6990

Released	2017-07-26
Method	X-RAY DIFFRACTION 2.65 Å
Organisms	Homo sapiens
Macromolecule	Beta-adrenergic receptor kinase 1 (protein)
Unique Ligands	8PV, SO4

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5VP0 \| pdb_00005vp0	Download File View File

Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders

Hoffman, I.D.

(2017) J Med Chem 60: 7677-7702

Released	2017-08-23
Method	X-RAY DIFFRACTION 2.2 Å
Organisms	Homo sapiens
Macromolecule	cGMP-dependent 3',5'-cyclic phosphodiesterase (protein)
Unique Ligands	9GJ, MG, ZN

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5VP1 \| pdb_00005vp1	Download File View File

Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders

Hoffman, I.D.

(2017) Chem Pharm Bull (Tokyo) 65: 1058-1077

Released	2017-12-27
Method	X-RAY DIFFRACTION 1.86 Å
Organisms	Homo sapiens
Macromolecule	cGMP-dependent 3',5'-cyclic phosphodiesterase (protein)
Unique Ligands	9GA, MG, ZN

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6N3L \| pdb_00006n3l	Download File View File

Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents

Hoffman, I.D., Fujimoto, J., Kurasawa, O., Takagi, T., Klein, M.G., Kefala, G., Ding, S.C., Cary, D.R., Mizojiri, R.

(2019) ACS Med Chem Lett 10: 1498-1503

Released	2019-10-09
Method	X-RAY DIFFRACTION 2.61 Å
Organisms	Homo sapiens
Macromolecule	eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 (protein)
Unique Ligands	KAV

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6N3N \| pdb_00006n3n	Download File View File

Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents

Hoffman, I.D., Fujimoto, J., Kurasawa, O., Takagi, T., Klein, M.G., Kefala, G., Ding, S.C., Cary, D.R., Mizojiri, R.

(2019) ACS Med Chem Lett 10: 1498-1503

Released	2019-10-09
Method	X-RAY DIFFRACTION 3.01 Å
Organisms	Homo sapiens
Macromolecule	eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 (protein)
Unique Ligands	KA4

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6N3O \| pdb_00006n3o	Download File View File

Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents

Hoffman, I.D., Fujimoto, J., Kurasawa, O., Takagi, T., Klein, M.G., Kefala, G., Ding, S.C., Cary, D.R., Mizojiri, R.

(2019) ACS Med Chem Lett 10: 1498-1503

Released	2019-10-09
Method	X-RAY DIFFRACTION 2.4 Å
Organisms	Homo sapiens
Macromolecule	eIF-2-alpha kinase GCN2 (protein)
Unique Ligands	KA7

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6OVA \| pdb_00006ova	Download File View File

Crystal Structure of TYK2 with novel pyrrolidinone inhibitor

Skene, R.J., Hoffman, I.D.

(2020) Bioorg Med Chem Lett 30: 126963-126963

Released	2020-02-12
Method	X-RAY DIFFRACTION 2.5 Å
Organisms	Homo sapiens
Macromolecule	Non-receptor tyrosine-protein kinase TYK2 (protein)
Unique Ligands	N9G

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6P5M \| pdb_00006p5m	Download File View File

Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent

Hoffman, I.D., Skene, R.J.

(2020) J Med Chem 63: 1084-1104

Released	2020-01-15
Method	X-RAY DIFFRACTION 2.65 Å
Organisms	Homo sapiens
Macromolecule	Rho-associated protein kinase 2 (protein)
Unique Ligands	O1S

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6P5P \| pdb_00006p5p	Download File View File

Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent

Hoffman, I.D., Skene, R.J.

(2020) J Med Chem 63: 1084-1104

Released	2020-01-15
Method	X-RAY DIFFRACTION 3.3 Å
Organisms	Homo sapiens
Macromolecule	Rho-associated protein kinase 2 (protein)
Unique Ligands	O1V

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6UBW \| pdb_00006ubw	Download File View File

MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody

Hoffman, I.D., Lawson, J.D.

(2017) Mol Cancer Ther 16: 1269-1278

Released	2020-02-12
Method	X-RAY DIFFRACTION 2 Å
Organisms	Homo sapiens
Macromolecule	Hepatocyte growth factor receptor (protein)
Unique Ligands	84S, CL

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8W2X \| pdb_00008w2x	Download File View File

TAS-120 covalent structure with FGFR2

Hoffman, I.D., Nelson, K.J., Bensen, D.C., Bailey, J.B.

(2025) Ann Oncol 36: 426-443

Released	2025-01-01
Method	X-RAY DIFFRACTION 2.98 Å
Organisms	Homo sapiens
Macromolecule	Fibroblast growth factor receptor 2 (protein)
Unique Ligands	A1AFR, GOL, SO4

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8W38 \| pdb_00008w38	Download File View File

TAS-120 covalent structure with FGFR2 molecular brake mutant

Hoffman, I.D., Nelson, K.J., Bensen, D.C., Bailey, J.B.

(2025) Ann Oncol 36: 426-443

Released	2025-01-01
Method	X-RAY DIFFRACTION 2.6 Å
Organisms	Homo sapiens
Macromolecule	Fibroblast growth factor receptor 2 (protein)
Unique Ligands	SO4, TZ0

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8W3B \| pdb_00008w3b	Download File View File

TAS-120 covalent structure with FGFR2 molecular brake mutant

Hoffman, I.D., Nelson, K.J., Bensen, D.C., Bailey, J.B.

(2025) Ann Oncol 36: 426-443

Released	2025-01-01
Method	X-RAY DIFFRACTION 2.23 Å
Organisms	Homo sapiens
Macromolecule	Fibroblast growth factor receptor 2 (protein)
Unique Ligands	SO4, TZ0

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8W3D \| pdb_00008w3d	Download File View File

TAS-120 covalent structure with FGFR2 molecular brake mutant

Hoffman, I.D., Nelson, K.J., Bensen, D.C., Bailey, J.B.

(2025) Ann Oncol 36: 426-443

Released	2025-01-01
Method	X-RAY DIFFRACTION 2.04 Å
Organisms	Homo sapiens
Macromolecule	Fibroblast growth factor receptor 2 (protein)
Unique Ligands	GOL, SO4, TZ0

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Structure Determination Methodology

Scientific Name of Source Organism

Taxonomy

Experimental Method

Polymer Entity Type

Refinement Resolution (Å)

Release Date

Enzyme Classification Name

Symmetry Type

SCOP Classification

2NP8 | pdb_00002np8

5TC0 | pdb_00005tc0

5TD2 | pdb_00005td2

5TR6 | pdb_00005tr6

5TT7 | pdb_00005tt7

5U7Q | pdb_00005u7q

5U7R | pdb_00005u7r

5UAB | pdb_00005uab

5UAD | pdb_00005uad

5UUU | pdb_00005uuu

5UVC | pdb_00005uvc

5VP0 | pdb_00005vp0

5VP1 | pdb_00005vp1

6N3L | pdb_00006n3l

6N3N | pdb_00006n3n

6N3O | pdb_00006n3o

6OVA | pdb_00006ova

6P5M | pdb_00006p5m

6P5P | pdb_00006p5p

6UBW | pdb_00006ubw

8W2X | pdb_00008w2x

8W38 | pdb_00008w38

8W3B | pdb_00008w3b

8W3D | pdb_00008w3d