8V7L
 
 | | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 2) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ... | | Authors: | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | | Deposit date: | 2023-12-04 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
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7OKQ
 | | Cryo-EM Structure of the DDB1-DCAF1-CUL4A-RBX1 Complex | | Descriptor: | Cullin-4A, DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1, ... | | Authors: | Mohamed, W.I, Schenk, A.D, Kempf, G, Cavadini, S, Thoma, N.H. | | Deposit date: | 2021-05-18 | | Release date: | 2021-10-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (8.4 Å) | | Cite: | The CRL4 DCAF1 cullin-RING ubiquitin ligase is activated following a switch in oligomerization state.
Embo J., 40, 2021
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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: | 2024-11-06 | | 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
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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: | 2024-10-16 | | 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
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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: | 2024-11-06 | | 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
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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: | 2024-11-13 | | 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
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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: | 2024-11-06 | | 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
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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: | 2024-10-16 | | 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
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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: | 2024-11-20 | | 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
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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: | 2024-11-06 | | 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
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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: | 2024-11-13 | | 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
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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: | 2024-11-13 | | 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
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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: | 2024-10-16 | | 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
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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: | 2024-10-16 | | 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
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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: | 2024-10-09 | | 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
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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: | 2024-11-20 | | 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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8OKX
 | | Structure of cGAS in complex with SPSB3-ELOBC | | Descriptor: | Cyclic GMP-AMP synthase, Elongin-B, Elongin-C, ... | | Authors: | Xu, P.B, Ablasser, A. | | Deposit date: | 2023-03-29 | | Release date: | 2024-02-14 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | The CRL5-SPSB3 ubiquitin ligase targets nuclear cGAS for degradation.
Nature, 627, 2024
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8P6Y
 | | Cryo-EM structure of CAK in complex with nucleotide analogue ATPgS | | 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: | 2023-08-30 | | Last modified: | 2024-11-13 | | 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
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8P6V
 | | Cryo-EM structure of CAK in complex with inhibitor ICEC0942 | | Descriptor: | (3R,4R)-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: | 2023-08-30 | | Last modified: | 2024-11-06 | | 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
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4P5O
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7MKX
 | | Crystal Structure Analysis of human CDK2 and CCNA2 complex | | Descriptor: | 2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2021-04-27 | | Release date: | 2022-11-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Crystal Structure Analysis of human CDK2 and CCNA2 complex
To Be Published
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7NFW
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7NR4
 | | X-RAY STRUCTURE OF PRMT6 IN COMPLEX WITH indazole type inhibitor | | Descriptor: | (2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Steuber, H. | | Deposit date: | 2021-03-02 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Rational Design and Synthesis of Selective PRMT4 Inhibitors: A New Chemotype for Development of Cancer Therapeutics*.
Chemmedchem, 16, 2021
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3CSJ
 | | Human glutathione s-transferase p1-1 in complex with chlorambucil | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORAMBUCIL, CHLORIDE ION, ... | | Authors: | Parker, L.J. | | Deposit date: | 2008-04-09 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
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9MGY
 | | Cryo-EM structure of Human NLRP3 complex with compound 1 | | Descriptor: | (2M)-2-(6-{[(3R)-1-methylpiperidin-3-yl]amino}pyridazin-3-yl)-5-(trifluoromethyl)phenol, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ... | | Authors: | Mammoliti, O, Carbajo, R.J, Perez-Benito, L, Yu, X, Prieri, M.L.C, Bontempi, L, Embrechts, S, Paesmans, I, Bassi, M, Bhattacharya, A, Roman, S.C, Hoog, S.D, Demin, S, Gijsen, H.J.M, Hache, G, Jacobs, T, Jerhaoui, S, Leenaerts, J, Lutter, F.H, Matico, R, Oehlrich, D, Perrier, M, Ryabchuk, P, Schepens, W, Sharma, S, Somers, M, Suarez, J, Surkyn, M, Opdenbosch, N.V, Verhulst, T, Bottelbergs, A. | | Deposit date: | 2024-12-11 | | Release date: | 2025-02-26 | | Last modified: | 2025-03-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Discovery of Potent and Brain-Penetrant Bicyclic NLRP3 Inhibitors with Peripheral and Central In Vivo Activity.
J.Med.Chem., 68, 2025
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