PDB: 35140 resultsInfo pagesStatus searchChemie searchBIRD

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6YGJ	small-molecule stabilizer of 14-3-3 and the Carbohydrate Response Element Binding Protein (ChREBP) protein-protein interaction Descriptor: 14-3-3 protein beta/alpha, Carbohydrate-responsive element-binding protein, [2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid Authors: Ottmann, C, Visser, E.J. Deposit date: 2020-03-27 Release date: 2020-09-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Structure-based evolution of a promiscuous inhibitor to a selective stabilizer of protein-protein interactions. Nat Commun, 11, 2020
8P72	Cryo-EM structure of CAK in complex with inhibitor ICEC0768 Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... Authors: Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. Deposit date: 2023-05-30 Release date: 2024-03-20 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (1.9 Å) Cite: High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
8P6W	Cryo-EM structure of CAK in complex with inhibitor BS-181 Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... Authors: Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. Deposit date: 2023-05-30 Release date: 2024-03-20 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (1.9 Å) Cite: High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
1DPZ	STRUCTURE OF MODIFIED 3-ISOPROPYLMALATE DEHYDROGENASE AT THE C-TERMINUS, HD711 Descriptor: 3-ISOPROPYLMALATE DEHYDROGENASE Authors: Nurachman, Z, Akanuma, S, Sato, T, Oshima, T, Tanaka, N. Deposit date: 1999-12-29 Release date: 2000-01-12 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Crystal structures of 3-isopropylmalate dehydrogenases with mutations at the C-terminus: crystallographic analyses of structure-stability relationships. Protein Eng., 13, 2000
6XNV	CRYSTAL STRUCTURE OF LISTERIA MONOCYTOGENES CBPB PROTEIN (LMO1009) IN COMPLEX WITH C-DI-AMP Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CBS domain-containing protein Authors: Luo, S, Tong, L. Deposit date: 2020-07-04 Release date: 2020-09-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.4 Å) Cite: (p)ppGpp and c-di-AMP Homeostasis Is Controlled by CbpB in Listeria monocytogenes. Mbio, 11, 2020
7NMI	Transactivation domain of p53 in complex with S100P, using annexin A2 as crystallization chaperone Descriptor: CALCIUM ION, Cellular tumor antigen p53, GLYCEROL, ... Authors: Ecsedi, P, Nyitray, L. Deposit date: 2021-02-23 Release date: 2022-03-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Transactivation domain of p53 in complex with S100P using annexin A2 as a crystallization chaperone To Be Published
6XNU	CRYSTAL STRUCTURE OF CBPB PROTEIN (LMO1009) FROM LISTERIA MONOCYTOGENES Descriptor: CBS domain-containing protein, CHLORIDE ION Authors: Luo, S, Tong, L. Deposit date: 2020-07-04 Release date: 2020-09-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.62 Å) Cite: (p)ppGpp and c-di-AMP Homeostasis Is Controlled by CbpB in Listeria monocytogenes. Mbio, 11, 2020
8CUF	Synthetic epi-Novo29 (2R,3S), X-ray diffractometer structure Descriptor: ACETATE ION, IODIDE ION, Synthetic epi-Novo29 (2R,3S) Authors: Kreutzer, A.G, Li, X, Krumberger, M, Nowick, J.S. Deposit date: 2022-05-17 Release date: 2023-01-11 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29. J.Org.Chem., 88, 2023
8CUG	Synthetic epi-Novo29 (2R,3S), synchrotron structure Descriptor: ACETATE ION, Synthetic epi-Novo29 (2R,3S) Authors: Kreutzer, A.G, Li, X, Krumberger, M, Nowick, J.S. Deposit date: 2022-05-17 Release date: 2023-01-11 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.131 Å) Cite: Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29. J.Org.Chem., 88, 2023
1HWK	COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH ATORVASTATIN Descriptor: 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, HMG-COA REDUCTASE Authors: Istvan, E.S, Deisenhofer, J. Deposit date: 2001-01-09 Release date: 2001-05-11 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.22 Å) Cite: Structural mechanism for statin inhibition of HMG-CoA reductase. Science, 292, 2001
1DHM	DNA-BINDING DOMAIN OF E2 FROM HUMAN PAPILLOMAVIRUS-31, NMR, MINIMIZED AVERAGE STRUCTURE Descriptor: E2 PROTEIN Authors: Liang, H, Petros, A.P, Meadows, R.P, Yoon, H.S, Egan, D.A, Walter, K, Holzman, T.F, Robins, T, Fesik, S.W. Deposit date: 1995-08-15 Release date: 1996-12-07 Last modified: 2024-04-10 Method: SOLUTION NMR Cite: Solution structure of the DNA-binding domain of a human papillomavirus E2 protein: evidence for flexible DNA-binding regions. Biochemistry, 35, 1996
6XD3	Structure of the human CAK in complex with THZ1 Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... Authors: Greber, B.J, Perez-Bertoldi, J.M, Lim, K, Iavarone, A.T, Toso, D.B, Nogales, E. Deposit date: 2020-06-09 Release date: 2020-09-09 Last modified: 2020-09-30 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: The cryoelectron microscopy structure of the human CDK-activating kinase. Proc.Natl.Acad.Sci.USA, 117, 2020
8PLZ	Cryo-EM structure of CAK in complex with inhibitor CT7030 Descriptor: (3~{R},4~{R})-4-[[[7-[(2-methoxyphenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... Authors: Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. Deposit date: 2023-06-27 Release date: 2024-03-20 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (1.9 Å) Cite: High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
8P6Z	Cryo-EM structure of CAK in complex with inhibitor ICEC0510-R Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... Authors: Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. Deposit date: 2023-05-30 Release date: 2024-03-20 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (2.1 Å) Cite: High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
8P73	Cryo-EM structure of CAK in complex with inhibitor ICEC0829 Descriptor: (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol, (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol, CDK-activating kinase assembly factor MAT1, ... Authors: Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. Deposit date: 2023-05-30 Release date: 2024-03-20 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (2 Å) Cite: High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
8P70	Cryo-EM structure of CAK in complex with inhibitor ICEC0510-S Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... Authors: Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. Deposit date: 2023-05-30 Release date: 2024-03-20 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (2 Å) Cite: High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
8P6X	Cryo-EM structure of CAK in complex with inhibitor BS-194 Descriptor: (2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... Authors: Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. Deposit date: 2023-05-30 Release date: 2024-03-20 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (1.9 Å) Cite: High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
8P74	Cryo-EM structure of CAK in complex with inhibitor ICEC0880 (ring-up conformation) Descriptor: (2S,3S)-3-[[7-[(2-bromophenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... Authors: Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. Deposit date: 2023-05-30 Release date: 2024-03-20 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (2.2 Å) Cite: High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
8P7L	Cryo-EM structure of CDK7 subunit of CAK in complex with inhibitor LDC4297 Descriptor: 2-[(3S)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine, CDK-activating kinase assembly factor MAT1, Cyclin-dependent kinase 7 Authors: Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. Deposit date: 2023-05-30 Release date: 2024-03-20 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (2.1 Å) Cite: High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
8P71	Cryo-EM structure of CAK in complex with inhibitor ICEC0574 Descriptor: (3R,4S)-4-[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... Authors: Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. Deposit date: 2023-05-30 Release date: 2024-03-20 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (2 Å) Cite: High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
8P75	Cryo-EM structure of CAK in complex with inhibitor ICEC0880 (ring-down conformation) Descriptor: (2S,3S)-3-[[7-[(2-bromophenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... Authors: Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. Deposit date: 2023-05-30 Release date: 2024-03-20 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (2 Å) Cite: High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
8P77	Cryo-EM structure of CAK in complex with inhibitor ICEC0943 Descriptor: (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... Authors: Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. Deposit date: 2023-05-30 Release date: 2024-03-20 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (1.8 Å) Cite: High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
8P76	Cryo-EM structure of CAK in complex with inhibitor ICEC0914 Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... Authors: Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. Deposit date: 2023-05-30 Release date: 2024-03-20 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (2 Å) Cite: High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
8P78	Cryo-EM structure of CAK in complex with inhibitor dinaciclib Descriptor: 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... Authors: Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. Deposit date: 2023-05-30 Release date: 2024-03-20 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (1.9 Å) Cite: High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
8P79	Cryo-EM structure of CAK with averaged inhibitor density Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7 Authors: Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. Deposit date: 2023-05-30 Release date: 2024-03-20 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (1.7 Å) Cite: High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024

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