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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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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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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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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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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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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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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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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8P6G
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![BU of 8p6g by Molmil](/molmil-images/mine/8p6g) | Crystal structure of the improved version of the Genetically Encoded Green Calcium Indicator YTnC2-5 | Descriptor: | DI(HYDROXYETHYL)ETHER, Genetically Encoded Green Calcium Indicator YTnC2-5 based on Troponin C from toadfish | Authors: | Boyko, K.M, Nikolaeva, A.Y, Subach, O.M, Vlaskina, A.V, Agapova, Y.K, Popov, V.O, Subach, F.V. | Deposit date: | 2023-05-26 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | YTnC2, an improved genetically encoded green calcium indicator based on toadfish troponin C. Febs Open Bio, 13, 2023
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8P6F
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![BU of 8p6f by Molmil](/molmil-images/mine/8p6f) | Crystal structure of PorX-Fj | Descriptor: | ACETATE ION, MAGNESIUM ION, Response regulator receiver domain-containing protein, ... | Authors: | Leone, P. | Deposit date: | 2023-05-26 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-function analysis of PorX Fj , the PorX homolog from Flavobacterium johnsioniae, suggests a role of the CheY-like domain in type IX secretion motor activity. Sci Rep, 14, 2024
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8P61
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![BU of 8p61 by Molmil](/molmil-images/mine/8p61) | Crystal structure of O'nyong'nyong virus capsid protease (106-256) | Descriptor: | Capsid protein, GLYCEROL, SULFATE ION | Authors: | Plewka, J, Chykunova, Y, Wilk, P, Sienczyk, M, Dubin, G, Pyrc, K. | Deposit date: | 2023-05-24 | Release date: | 2024-03-06 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Autoinhibition of suicidal capsid protease from O'nyong'nyong virus. Int.J.Biol.Macromol., 262, 2024
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8P5Z
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![BU of 8p5z by Molmil](/molmil-images/mine/8p5z) | Artificial transfer hydrogenase with a Mn-5 cofactor and Streptavidin S112Y-K121M mutant | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide, BROMIDE ION, GLYCEROL, ... | Authors: | Lau, K, Wang, W, Pojer, F, Larabi, A. | Deposit date: | 2023-05-24 | Release date: | 2023-09-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Manganese Transfer Hydrogenases Based on the Biotin-Streptavidin Technology. Angew.Chem.Int.Ed.Engl., 62, 2023
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8P5P
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![BU of 8p5p by Molmil](/molmil-images/mine/8p5p) | Structure of TECPR1 N-terminal DysF domain | Descriptor: | GLYCEROL, Tectonin beta-propeller repeat-containing protein 1 | Authors: | Boyle, K.B, Elliott, P.R, Randow, F. | Deposit date: | 2023-05-24 | Release date: | 2023-07-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | TECPR1 conjugates LC3 to damaged endomembranes upon detection of sphingomyelin exposure. Embo J., 42, 2023
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8P5N
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![BU of 8p5n by Molmil](/molmil-images/mine/8p5n) | Arsenate reductase (ArsC2) from Deinococcus indicus, co-crystallized with arsenate | Descriptor: | ARSENATE, GLYCEROL, Low molecular weight phosphatase family protein | Authors: | Gouveia, A.G, Matias, P.M, Romao, C.V. | Deposit date: | 2023-05-24 | Release date: | 2023-08-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Unraveling the multifaceted resilience of arsenic resistant bacterium Deinococcus indicus . Front Microbiol, 14, 2023
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8P5K
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![BU of 8p5k by Molmil](/molmil-images/mine/8p5k) | Kinase domain of mutant human ULK1 in complex with compound MRT68921 | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | Deposit date: | 2023-05-24 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.209 Å) | Cite: | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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8P5J
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![BU of 8p5j by Molmil](/molmil-images/mine/8p5j) | Kinase domain of mutant human ULK1 in complex with compound WZ4003 | Descriptor: | MAGNESIUM ION, SODIUM ION, Serine/threonine-protein kinase ULK1, ... | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | Deposit date: | 2023-05-24 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.164 Å) | Cite: | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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8P5I
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![BU of 8p5i by Molmil](/molmil-images/mine/8p5i) | Kinase domain of mutant human ULK1 in complex with compound XMD-17-51 | Descriptor: | 5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one, GLYCEROL, MAGNESIUM ION, ... | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | Deposit date: | 2023-05-24 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.829 Å) | Cite: | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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8P5C
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![BU of 8p5c by Molmil](/molmil-images/mine/8p5c) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer S. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P5B
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![BU of 8p5b by Molmil](/molmil-images/mine/8p5b) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer S. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P5A
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![BU of 8p5a by Molmil](/molmil-images/mine/8p5a) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer R. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P58
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![BU of 8p58 by Molmil](/molmil-images/mine/8p58) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer R. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P57
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![BU of 8p57 by Molmil](/molmil-images/mine/8p57) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar X77. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P56
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![BU of 8p56 by Molmil](/molmil-images/mine/8p56) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar X77. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P55
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![BU of 8p55 by Molmil](/molmil-images/mine/8p55) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar MG-132. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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