5C1Q
 
 | | Serine/threonine-protein kinase pim-1 | | Descriptor: | 3-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one, Serine/threonine-protein kinase pim-1 | | Authors: | Li, W, Wan, X, Huang, N. | | Deposit date: | 2015-06-15 | | Release date: | 2015-12-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Serine/threonine-protein kinase pim-1
To Be Published
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1H08
 | | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | | Descriptor: | (2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2, ... | | Authors: | Breault, G.A, Ellston, R.P.A, Green, S, James, S.R, Jewsbury, P.J, Midgley, C.J, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | | Deposit date: | 2002-06-11 | | Release date: | 2003-07-11 | | Last modified: | 2011-10-12 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
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4II5
 | | Structure of PCDK2/CYCLINA bound to ADP and 1 MAGNESIUM ION | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Jacobsen, D.M, Bao, Z.-Q, O'Brien, P.J, Brooks III, C.L, Young, M.A. | | Deposit date: | 2012-12-19 | | Release date: | 2013-01-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Price to be paid for two-metal catalysis: Magnesium ions that accelerate chemistry unavoidably limit product release from a PROTEIN KINASE
J.Am.Chem.Soc., 134, 2012
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5G42
 | | Ligand complex of RORg LBD | | Descriptor: | 5-chloranyl-2,3-dihydroindole-1-carboxamide, NUCLEAR RECEPTOR ROR-GAMMA, RORG, ... | | Authors: | Xue, Y, Guo, H, Hillertz, P. | | Deposit date: | 2016-05-04 | | Release date: | 2016-08-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
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1H01
 | | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | | Descriptor: | (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, CYCLIN-DEPENDENT KINASE 2, ... | | Authors: | Breault, G.A, Ellston, R.P.A, Green, S, James, S.R, Jewsbury, P.J, Midgley, C.J, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | | Deposit date: | 2002-06-10 | | Release date: | 2003-07-11 | | Last modified: | 2011-10-19 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
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6EU9
 | | Crystal structure of Platynereis dumerilii RAR ligand-binding domain in complex with all-trans retinoic acid | | Descriptor: | RETINOIC ACID, Retinoic acid receptor | | Authors: | Handberg-Thorsager, M, Gutierrez-Mazariegos, J, Arold, S.T, Nadendla, E.K, Bertucci, P.Y, Germain, P, Tomancak, P, Pierzchalski, K, Jones, J.W, Albalat, R, Kane, M.A, Bourguet, W, Laudet, V, Arendt, D, Schubert, M. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | The ancestral retinoic acid receptor was a low-affinity sensor triggering neuronal differentiation.
Sci Adv, 4, 2018
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5WUR
 | | Crystal structure of SigW in complex with its anti-sigma RsiW, an oxdized form | | Descriptor: | Anti-sigma-W factor RsiW, ECF RNA polymerase sigma factor SigW | | Authors: | Devkota, S.R, Kwon, E, Ha, S.C, Kim, D.Y. | | Deposit date: | 2016-12-20 | | Release date: | 2017-03-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural insights into the regulation of Bacillus subtilis SigW activity by anti-sigma RsiW
PLoS ONE, 12, 2017
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5VUC
 | | Pim1 Kinase in complex with a benzofuranone inhibitor | | Descriptor: | (2Z)-2-(1H-indol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | | Authors: | Parker, L.J. | | Deposit date: | 2017-05-18 | | Release date: | 2017-12-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach
J Chem Inf Model, 57, 2017
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1H0V
 | | Human cyclin dependent protein kinase 2 in complex with the inhibitor 2-Amino-6-[(R)-pyrrolidino-5'-yl]methoxypurine | | Descriptor: | 5-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-2-PYRROLIDINONE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Gibson, A.E, Arris, C.E, Bentley, J, Boyle, F.T, Curtin, N.J, Davies, T.G, Endicott, J.A, Golding, B.T, Grant, S, Griffin, R.J, Jewsbury, P, Johnson, L.N, Mesguiche, V, Newell, D.R, Noble, M.E.M, Tucker, J.A, Whitfield, H.J. | | Deposit date: | 2002-06-27 | | Release date: | 2003-06-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives
J.Med.Chem., 45, 2002
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1H1Q
 | | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6094 | | Descriptor: | 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | | Deposit date: | 2002-07-21 | | Release date: | 2002-09-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor
Nat.Struct.Biol., 9, 2002
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5G43
 | | Ligand complex of RORg LBD | | Descriptor: | 2-(1-PIPERIDINYL)-1,3-THIAZOL-4-AMINE, NUCLEAR RECEPTOR ROR-GAMMA, RORG | | Authors: | Xue, Y, Guo, H, Hillertz, P. | | Deposit date: | 2016-05-04 | | Release date: | 2016-08-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
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6X9C
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6X99
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1GY3
 | | pCDK2/cyclin A in complex with MgADP, nitrate and peptide substrate | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | Authors: | Cook, A, Lowe, E.D, Chrysina, E.D, Skamnaki, V.T, Oikonomakos, N.G, Johnson, L.N. | | Deposit date: | 2002-04-19 | | Release date: | 2002-04-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Studies on Phospho-Cdk2/Cyclin a Bound to Nitrate, a Transition State Analogue: Implications for the Protein Kinase Mechanism
Biochemistry, 41, 2002
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6X9D
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2I4J
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1HCL
 | | HUMAN CYCLIN-DEPENDENT KINASE 2 | | Descriptor: | HUMAN CYCLIN-DEPENDENT KINASE 2 | | Authors: | Schulze-Gahmen, U, De Bondt, H.L, Kim, S.-H. | | Deposit date: | 1996-06-03 | | Release date: | 1996-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design.
J.Med.Chem., 39, 1996
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1GII
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR | | Descriptor: | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Ikuta, M, Nishimura, S. | | Deposit date: | 2001-02-06 | | Release date: | 2002-02-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic approach to identification of cyclin-dependent kinase 4 (CDK4)-specific inhibitors by using CDK4 mimic CDK2 protein.
J.Biol.Chem., 276, 2001
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6YLG
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1H1R
 | | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6086 | | Descriptor: | 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | | Deposit date: | 2002-07-21 | | Release date: | 2002-09-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor.
Nat. Struct. Biol., 9, 2002
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1H27
 | | CDK2/CyclinA in complex with an 11-residue recruitment peptide from p27 | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, CYCLIN-DEPENDENT KINASE INHIBITOR 1B | | Authors: | Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N. | | Deposit date: | 2002-07-31 | | Release date: | 2003-02-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A
Biochemistry, 41, 2002
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1F5Q
 | | CRYSTAL STRUCTURE OF MURINE GAMMA HERPESVIRUS CYCLIN COMPLEXED TO HUMAN CYCLIN DEPENDENT KINASE 2 | | Descriptor: | CHLORIDE ION, CYCLIN DEPENDENT KINASE 2, GAMMA HERPESVIRUS CYCLIN | | Authors: | Card, G.L, Knowles, P, Laman, H, Jones, N, McDonald, N.Q. | | Deposit date: | 2000-06-15 | | Release date: | 2000-12-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a gamma-herpesvirus cyclin-cdk complex.
EMBO J., 19, 2000
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3SCH
 | | Co(II)-HppE with R-HPP | | Descriptor: | COBALT (II) ION, Epoxidase, [(2R)-2-hydroxypropyl]phosphonic acid | | Authors: | Drennan, C.L. | | Deposit date: | 2011-06-07 | | Release date: | 2011-07-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of regiospecificity of a mononuclear iron enzyme in antibiotic fosfomycin biosynthesis.
J.Am.Chem.Soc., 133, 2011
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1GZ8
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 2-Amino-6-(3'-methyl-2'-oxo)butoxypurine | | Descriptor: | 1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Davies, T, Endicott, J, Johnson, L, Noble, M, Tucker, J. | | Deposit date: | 2002-05-17 | | Release date: | 2003-06-12 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives
J.Med.Chem., 45, 2002
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1FIN
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