7KCE
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![BU of 7kce by Molmil](/molmil-images/mine/7kce) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 2 | Descriptor: | 5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one, CHLORIDE ION, S-ADENOSYLMETHIONINE, ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-10-05 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
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7KCC
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![BU of 7kcc by Molmil](/molmil-images/mine/7kcc) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AG-270 | Descriptor: | 1,2-ETHANEDIOL, 3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, CHLORIDE ION, ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-10-05 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
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8K79
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![BU of 8k79 by Molmil](/molmil-images/mine/8k79) | |
8K78
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![BU of 8k78 by Molmil](/molmil-images/mine/8k78) | |
6CWZ
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![BU of 6cwz by Molmil](/molmil-images/mine/6cwz) | Crystal structure of apo SUMO E1 | Descriptor: | SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ZINC ION | Authors: | Lv, Z, Yuan, L, Atkison, J.H, Williams, K.M, Olsen, S.K. | Deposit date: | 2018-04-01 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Molecular mechanism of a covalent allosteric inhibitor of SUMO E1 activating enzyme. Nat Commun, 9, 2018
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5Y4T
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![BU of 5y4t by Molmil](/molmil-images/mine/5y4t) | Crystal structure of Trx domain of Grx3 from Saccharomyces cerevisiae | Descriptor: | GLYCEROL, Glutaredoxin | Authors: | Chi, C.B, Tang, Y.J, Zhang, J.H, Dai, Y.N, Abdalla, M, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2017-08-05 | Release date: | 2018-08-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and Biochemical Insights into the Multiple Functions of Yeast Grx3. J.Mol.Biol., 430, 2018
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5C8N
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![BU of 5c8n by Molmil](/molmil-images/mine/5c8n) | EGFR kinase domain mutant "TMLR" with compound 23 | Descriptor: | Epidermal growth factor receptor, N-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-25 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5CAP
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![BU of 5cap by Molmil](/molmil-images/mine/5cap) | EGFR kinase domain mutant "TMLR" with compound 30 | Descriptor: | 2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor, SULFATE ION | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-29 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5C8K
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![BU of 5c8k by Molmil](/molmil-images/mine/5c8k) | EGFR kinase domain mutant "TMLR" with compound 1 | Descriptor: | 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-25 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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6J76
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![BU of 6j76 by Molmil](/molmil-images/mine/6j76) | Structure of 3,6-anhydro-L-galactose Dehydrogenase in Complex with NAP | Descriptor: | Aldehyde dehydrogenase A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, P.Y, Wang, Y, Chen, X.L, Zhang, Y.Z. | Deposit date: | 2019-01-17 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.368 Å) | Cite: | 3,6-Anhydro-L-Galactose Dehydrogenase VvAHGD is a Member of a New Aldehyde Dehydrogenase Family and Catalyzes by a Novel Mechanism with Conformational Switch of Two Catalytic Residues Cysteine 282 and Glutamate 248. J.Mol.Biol., 432, 2020
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5CAO
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![BU of 5cao by Molmil](/molmil-images/mine/5cao) | EGFR kinase domain mutant "TMLR" with compound 29 | Descriptor: | Epidermal growth factor receptor, N~2~-[2-methyl-2-(methylsulfonyl)propyl]-N~4~-[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-29 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5CAN
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![BU of 5can by Molmil](/molmil-images/mine/5can) | EGFR kinase domain mutant "TMLR" with compound 27 | Descriptor: | (3R)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-29 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5CAV
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![BU of 5cav by Molmil](/molmil-images/mine/5cav) | EGFR kinase domain with compound 41a | Descriptor: | (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-30 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5C8M
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![BU of 5c8m by Molmil](/molmil-images/mine/5c8m) | EGFR kinase domain mutant "TMLR" with compound 17 | Descriptor: | 2-methyl-N-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-25 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5CAU
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![BU of 5cau by Molmil](/molmil-images/mine/5cau) | EGFR kinase domain mutant "TMLR" with compound 41b | Descriptor: | (1R)-1-{6-({2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor, SULFATE ION | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-29 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5CAQ
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![BU of 5caq by Molmil](/molmil-images/mine/5caq) | EGFR kinase domain mutant "TMLR" with compound 33 | Descriptor: | Epidermal growth factor receptor, N-[2-[(3R,4S)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine, SULFATE ION | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-29 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5CAS
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![BU of 5cas by Molmil](/molmil-images/mine/5cas) | EGFR kinase domain mutant "TMLR" with compound 41a | Descriptor: | (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor, SULFATE ION | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-29 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5Y4B
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![BU of 5y4b by Molmil](/molmil-images/mine/5y4b) | Solution structure of yeast Fra2 | Descriptor: | BolA-like protein 2 | Authors: | Tang, Y.J, Chi, C.B, Zhang, J.H, Dai, Y.N, Abdalla, M, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2017-08-03 | Release date: | 2018-03-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural and Biochemical Insights into the Multiple Functions of Yeast Grx3. J. Mol. Biol., 430, 2018
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7C43
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![BU of 7c43 by Molmil](/molmil-images/mine/7c43) | |
7C4C
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![BU of 7c4c by Molmil](/molmil-images/mine/7c4c) | |
7C4B
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![BU of 7c4b by Molmil](/molmil-images/mine/7c4b) | The crystal structure of Trypanosoma brucei RNase D : UMP complex | Descriptor: | CCHC-type domain-containing protein, MANGANESE (II) ION, URIDINE-5'-MONOPHOSPHATE, ... | Authors: | Gao, Y.Q, Gan, J.H. | Deposit date: | 2020-05-15 | Release date: | 2021-04-07 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei. Nucleic Acids Res., 49, 2021
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7C45
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7C47
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![BU of 7c47 by Molmil](/molmil-images/mine/7c47) | The crystal structure of Trypanosoma brucei RNase D : CMP complex | Descriptor: | CCHC-type domain-containing protein, CYTIDINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Gao, Y.Q, Gan, J.H. | Deposit date: | 2020-05-15 | Release date: | 2021-04-07 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei. Nucleic Acids Res., 49, 2021
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7C42
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7X8C
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![BU of 7x8c by Molmil](/molmil-images/mine/7x8c) | Crystal structure of a KTSC family protein from Euryarchaeon Methanolobus vulcani | Descriptor: | KTSC domain-containing protein, SODIUM ION | Authors: | Zhang, Z.F, Zhu, K.L, Chen, Y.Y, Cao, P, Gong, Y. | Deposit date: | 2022-03-12 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Biochemical and structural characterization of a KTSC family single-stranded DNA-binding protein from Euryarchaea. Int.J.Biol.Macromol., 216, 2022
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