7UYD
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![BU of 7uyd by Molmil](/molmil-images/mine/7uyd) | Inhibitor bound VIM1 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2022-05-06 | Release date: | 2023-05-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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8P6Y
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![BU of 8p6y by Molmil](/molmil-images/mine/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: | 2024-03-27 | 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
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8P6V
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![BU of 8p6v by Molmil](/molmil-images/mine/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: | 2024-03-27 | 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
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8ORM
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![BU of 8orm by Molmil](/molmil-images/mine/8orm) | Cryo-EM structure of CAK-THZ1 | 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: | 2023-04-14 | Release date: | 2023-08-30 | 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
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8P72
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![BU of 8p72 by Molmil](/molmil-images/mine/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
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8P70
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![BU of 8p70 by Molmil](/molmil-images/mine/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
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8P6W
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![BU of 8p6w by Molmil](/molmil-images/mine/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
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8P6Z
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![BU of 8p6z by Molmil](/molmil-images/mine/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
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8P74
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![BU of 8p74 by Molmil](/molmil-images/mine/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
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8P73
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![BU of 8p73 by Molmil](/molmil-images/mine/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
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8P6X
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![BU of 8p6x by Molmil](/molmil-images/mine/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
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8P7L
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![BU of 8p7l by Molmil](/molmil-images/mine/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
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8P71
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![BU of 8p71 by Molmil](/molmil-images/mine/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
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8P75
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![BU of 8p75 by Molmil](/molmil-images/mine/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
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8P77
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![BU of 8p77 by Molmil](/molmil-images/mine/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
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6MUP
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![BU of 6mup by Molmil](/molmil-images/mine/6mup) | |
5HT6
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![BU of 5ht6 by Molmil](/molmil-images/mine/5ht6) | Crystal structure of the SET domain of the human MLL5 methyltransferase | Descriptor: | Histone-lysine N-methyltransferase 2E | Authors: | le Maire, A, Mas-y-Mas, S, Dumas, C, Lebedev, A. | Deposit date: | 2016-01-26 | Release date: | 2016-11-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | The Human Mixed Lineage Leukemia 5 (MLL5), a Sequentially and Structurally Divergent SET Domain-Containing Protein with No Intrinsic Catalytic Activity. Plos One, 11, 2016
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6AD9
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![BU of 6ad9 by Molmil](/molmil-images/mine/6ad9) | Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-9 | Descriptor: | 12-mer peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one, Peroxisome proliferator-activated receptor gamma | Authors: | Takahashi, Y, Suzuki, M, Yamamoto, K, Saito, J. | Deposit date: | 2018-07-31 | Release date: | 2018-11-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of Dihydrodibenzooxepine Peroxisome Proliferator-Activated Receptor (PPAR) Gamma Ligands of a Novel Binding Mode as Anticancer Agents: Effective Mimicry of Chiral Structures by Olefinic E/ Z-Isomers. J. Med. Chem., 61, 2018
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7QXF
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![BU of 7qxf by Molmil](/molmil-images/mine/7qxf) | |
4FE1
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![BU of 4fe1 by Molmil](/molmil-images/mine/4fe1) | Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Fromme, R, Adams, P.D, Fromme, P, Levitt, M, Schroeder, G.F, Brunger, A.T. | Deposit date: | 2012-05-29 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (4.9228 Å) | Cite: | Improving the accuracy of macromolecular structure refinement at 7 A resolution. Structure, 20, 2012
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7NDZ
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![BU of 7ndz by Molmil](/molmil-images/mine/7ndz) | ThyX reconstituted with N5-carbinolamine flavin | Descriptor: | DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent thymidylate synthase, ... | Authors: | Bou-Nader, C, Pecqueur, L, Hamdane, D. | Deposit date: | 2021-02-02 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An enzymatic activation of formaldehyde for nucleotide methylation. Nat Commun, 12, 2021
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7NDW
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![BU of 7ndw by Molmil](/molmil-images/mine/7ndw) | ThyX-FADH2 soaked with 20 mM Formaldehyde | Descriptor: | DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent thymidylate synthase, ... | Authors: | Bou-Nader, C, Pecqueur, L, Hamdane, D. | Deposit date: | 2021-02-02 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An enzymatic activation of formaldehyde for nucleotide methylation. Nat Commun, 12, 2021
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4XZP
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![BU of 4xzp by Molmil](/molmil-images/mine/4xzp) | |
5MJP
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![BU of 5mjp by Molmil](/molmil-images/mine/5mjp) | Multi-bunch pink beam serial crystallography: Phycocyanin (One chip) | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V, Sarrou, I. | Deposit date: | 2016-12-01 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Pink-beam serial crystallography. Nat Commun, 8, 2017
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5MJM
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![BU of 5mjm by Molmil](/molmil-images/mine/5mjm) | Single-shot pink beam serial crystallography: Phycocyanin (Five chips merged) | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V, Sarrou, I. | Deposit date: | 2016-12-01 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Pink-beam serial crystallography. Nat Commun, 8, 2017
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