4N0B
| Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of GabT | Descriptor: | ACETYL GROUP, CALCIUM ION, HTH-type transcriptional regulatory protein GabR, ... | Authors: | Edayathumangalam, R, Wu, R, Garcia, R, Wang, Y, Wang, W, Kreinbring, C.A, Bach, A, Liao, J, Stone, T, Terwilliger, T, Hoang, Q.Q, Belitsky, B.R, Petsko, G.A, Ringe, D, Liu, D. | Deposit date: | 2013-10-01 | Release date: | 2013-10-30 | Last modified: | 2014-04-02 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT. Proc.Natl.Acad.Sci.USA, 110, 2013
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4ERW
| CDK2 in complex with staurosporine | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, STAUROSPORINE | Authors: | Alam, R, Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2012-04-20 | Release date: | 2012-08-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. Chembiochem, 13, 2012
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4EZ3
| CDK2 in complex with NSC 134199 | Descriptor: | 1,2-ETHANEDIOL, 4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide, Cyclin-dependent kinase 2 | Authors: | Alam, R, Martin, M, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2012-05-02 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. Chembiochem, 13, 2012
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4EZ7
| CDK2 in complex with staurosporine and 2 molecules of 8-anilino-1-naphthalene sulfonic acid | Descriptor: | 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cyclin-dependent kinase 2, ... | Authors: | Alam, R, Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2012-05-02 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. Chembiochem, 13, 2012
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3TI1
| CDK2 in complex with SUNITINIB | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | Authors: | Alam, R, Schonbrunn, E. | Deposit date: | 2011-08-19 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. Chembiochem, 13, 2012
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3TIZ
| CDK2 in complex with NSC 111848 | Descriptor: | 1,2-ETHANEDIOL, 1-{(E)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol, Cyclin-dependent kinase 2 | Authors: | Alam, R, Schonbrunn, E. | Deposit date: | 2011-08-22 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. Chembiochem, 13, 2012
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3TIY
| CDK2 in complex with NSC 35676 | Descriptor: | 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, Cyclin-dependent kinase 2 | Authors: | Alam, R, Schonbrunn, E. | Deposit date: | 2011-08-22 | Release date: | 2012-08-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. Chembiochem, 13, 2012
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4MGR
| The crystal structure of Bacillus subtilis GabR, an autorepressor and PLP- and GABA-dependent transcriptional activator of gabT | Descriptor: | ACETATE ION, HTH-type transcriptional regulatory protein GabR, IMIDAZOLE, ... | Authors: | Wu, R, Edayathumangalam, R, Garcia, R, Wang, Y, Wang, W, Kreinbring, C.A, Bach, A, Liao, J, Stone, T, Terwilliger, T, Hoang, Q.Q, Belitsky, B.R, Petsko, G.A, Ringe, D, Liu, D. | Deposit date: | 2013-08-28 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT. Proc.Natl.Acad.Sci.USA, 110, 2013
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3UNK
| CDK2 in complex with inhibitor YL5-083 | Descriptor: | 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Cyclin-dependent kinase 2, PHOSPHATE ION | Authors: | Zhu, J.-Y, Martin, M.P, Alam, R, Schonbrunn, E. | Deposit date: | 2011-11-15 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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4GCJ
| CDK2 in complex with inhibitor RC-3-89 | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2012-07-30 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3PY1
| CDK2 ternary complex with SU9516 and ANS | Descriptor: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, ... | Authors: | Betzi, S, Alam, R, Schonbrunn, E. | Deposit date: | 2010-12-10 | Release date: | 2011-02-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2. Acs Chem.Biol., 6, 2011
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3PXZ
| CDK2 ternary complex with JWS648 and ANS | Descriptor: | 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cell division protein kinase 2 | Authors: | Betzi, S, Alam, R, Schonbrunn, E. | Deposit date: | 2010-12-10 | Release date: | 2011-02-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2. Acs Chem.Biol., 6, 2011
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3PXF
| CDK2 in complex with two molecules of 8-anilino-1-naphthalene sulfonate | Descriptor: | 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cell division protein kinase 2 | Authors: | Betzi, S, Alam, R, Schonbrunn, E. | Deposit date: | 2010-12-09 | Release date: | 2011-02-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2. Acs Chem.Biol., 6, 2011
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3PXR
| Apo CDK2 crystallized from Jeffamine | Descriptor: | 1,2-ETHANEDIOL, Cell division protein kinase 2 | Authors: | Betzi, S, Alam, R, Schonbrunn, E. | Deposit date: | 2010-12-10 | Release date: | 2011-02-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2. Acs Chem.Biol., 6, 2011
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3PY0
| CDK2 in complex with inhibitor SU9516 | Descriptor: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, 1,2-ETHANEDIOL, Cell division protein kinase 2, ... | Authors: | Betzi, S, Alam, R, Schonbrunn, E. | Deposit date: | 2010-12-10 | Release date: | 2011-02-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2. Acs Chem.Biol., 6, 2011
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3PXY
| CDK2 in complex with inhibitor JWS648 | Descriptor: | 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol, Cell division protein kinase 2, PHOSPHATE ION | Authors: | Han, H, Betzi, S, Alam, R, Schonbrunn, E. | Deposit date: | 2010-12-10 | Release date: | 2011-02-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2. Acs Chem.Biol., 6, 2011
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3PXQ
| CDK2 in complex with 3 molecules of 8-anilino-1-naphthalene sulfonate | Descriptor: | 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cell division protein kinase 2 | Authors: | Betzi, S, Alam, R, Schonbrunn, E. | Deposit date: | 2010-12-10 | Release date: | 2011-02-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2. Acs Chem.Biol., 6, 2011
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3QQK
| CDK2 in complex with inhibitor L4 | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-15 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3QTR
| CDK2 in complex with inhibitor RC-1-148 | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-23 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3QTS
| CDK2 in complex with inhibitor RC-2-12 | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-23 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3QU0
| CDK2 in complex with inhibitor RC-2-38 | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-23 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3QTX
| CDK2 in complex with inhibitor RC-2-35 | Descriptor: | 4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-23 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3RZB
| CDK2 in complex with inhibitor RC-2-23 | Descriptor: | 4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-05-11 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3S00
| CDK2 in complex with inhibitor L4-14 | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-05-12 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3R8V
| CDK2 in complex with inhibitor RC-1-135 | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-24 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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