8SRA
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![BU of 8sra by Molmil](/molmil-images/mine/8sra) | Cryo-EM structure of TRPM2 chanzyme in the presence of Calcium | 分子名称: | CALCIUM ION, CHOLESTEROL, TRPM2 chanzyme | 著者 | Huang, Y, Kumar, S, Lu, W, Du, J. | 登録日 | 2023-05-05 | 公開日 | 2024-05-08 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.93 Å) | 主引用文献 | Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution. Nat.Struct.Mol.Biol., 2024
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8SRC
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![BU of 8src by Molmil](/molmil-images/mine/8src) | Cryo-EM structure of TRPM2 chanzyme in the presence of Calcium and ADP-ribose | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, CALCIUM ION, CHOLESTEROL, ... | 著者 | Huang, Y, Kumar, S, Lu, W, Du, J. | 登録日 | 2023-05-05 | 公開日 | 2024-05-08 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.92 Å) | 主引用文献 | Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution. Nat.Struct.Mol.Biol., 2024
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7CM0
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![BU of 7cm0 by Molmil](/molmil-images/mine/7cm0) | Crystal structure of a glutaminyl cyclase in complex with NHV-1009 | 分子名称: | 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea, Glutaminyl-peptide cyclotransferase, ZINC ION | 著者 | Lee, J.W, Song, J.Y, Jang, T.H, Ha, J.H. | 登録日 | 2020-07-23 | 公開日 | 2021-12-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of highly potent human glutaminyl cyclase (QC) inhibitors as anti-Alzheimer's agents by the combination of pharmacophore-based and structure-based design. Eur.J.Med.Chem., 226, 2021
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7D2N
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![BU of 7d2n by Molmil](/molmil-images/mine/7d2n) | |
7D2M
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![BU of 7d2m by Molmil](/molmil-images/mine/7d2m) | |
7D28
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![BU of 7d28 by Molmil](/molmil-images/mine/7d28) | |
7D2Q
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![BU of 7d2q by Molmil](/molmil-images/mine/7d2q) | |
7D2P
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8X9D
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![BU of 8x9d by Molmil](/molmil-images/mine/8x9d) | Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in high PEG concentration | 分子名称: | Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ... | 著者 | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | 登録日 | 2023-11-30 | 公開日 | 2024-04-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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8X9G
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![BU of 8x9g by Molmil](/molmil-images/mine/8x9g) | Crystal structure of CO dehydrogenase mutant in complex with BV | 分子名称: | 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium, Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(4) CLUSTER, ... | 著者 | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | 登録日 | 2023-11-30 | 公開日 | 2024-04-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | 主引用文献 | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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8X9H
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![BU of 8x9h by Molmil](/molmil-images/mine/8x9h) | Crystal structure of CO dehydrogenase mutant (F41C) | 分子名称: | Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ... | 著者 | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | 登録日 | 2023-11-30 | 公開日 | 2024-04-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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8X9F
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![BU of 8x9f by Molmil](/molmil-images/mine/8x9f) | Crystal structure of CO dehydrogenase mutant in complex with EV | 分子名称: | 1,2-ETHANEDIOL, 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium, Carbon monoxide dehydrogenase 2, ... | 著者 | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | 登録日 | 2023-11-30 | 公開日 | 2024-04-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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8X9E
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![BU of 8x9e by Molmil](/molmil-images/mine/8x9e) | Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in low PEG concentration | 分子名称: | 1,2-ETHANEDIOL, Carbon monoxide dehydrogenase 2, FE (III) ION, ... | 著者 | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | 登録日 | 2023-11-30 | 公開日 | 2024-04-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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6XFP
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![BU of 6xfp by Molmil](/molmil-images/mine/6xfp) | Crystal Structure of BRAF kinase domain bound to Belvarafenib | 分子名称: | 4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf | 著者 | Yin, J, Sudhamsu, J. | 登録日 | 2020-06-16 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | ARAF mutations confer resistance to the RAF inhibitor belvarafenib in melanoma. Nature, 594, 2021
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6XNG
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![BU of 6xng by Molmil](/molmil-images/mine/6xng) | MHC-like protein complex structure | 分子名称: | (3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Thirunavukkarasu, P, Le Nours, J, Rossjohn, J. | 登録日 | 2020-07-02 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Host immunomodulatory lipids created by symbionts from dietary amino acids. Nature, 600, 2021
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4XG2
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![BU of 4xg2 by Molmil](/molmil-images/mine/4xg2) | Crystal structure of ligand-free Syk | 分子名称: | Tyrosine-protein kinase SYK | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2014-12-30 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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4XG8
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![BU of 4xg8 by Molmil](/molmil-images/mine/4xg8) | Crystal structure of an inhibitor-bound Syk | 分子名称: | 1-[(1-{2-[(3-chloro-1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2014-12-30 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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4XG3
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![BU of 4xg3 by Molmil](/molmil-images/mine/4xg3) | Crystal structure of an inhibitor-bound Syk | 分子名称: | 4-{[5-fluoro-4-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1H-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate, Tyrosine-protein kinase SYK | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2014-12-30 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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4XG7
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![BU of 4xg7 by Molmil](/molmil-images/mine/4xg7) | Crystal structure of an inhibitor-bound Syk | 分子名称: | 1-[(3-methyl-1-{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2014-12-30 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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4XG6
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![BU of 4xg6 by Molmil](/molmil-images/mine/4xg6) | Crystal structure of an inhibitor-bound Syk | 分子名称: | 1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2014-12-30 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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7CRG
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![BU of 7crg by Molmil](/molmil-images/mine/7crg) | |
4XG4
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![BU of 4xg4 by Molmil](/molmil-images/mine/4xg4) | Crystal structure of an inhibitor-bound Syk | 分子名称: | (3R)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1H-pyrrol-3-yl]methyl}pyrrolidin-3-ol, Tyrosine-protein kinase SYK | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2014-12-30 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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4XG9
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![BU of 4xg9 by Molmil](/molmil-images/mine/4xg9) | Crystal structure of an inhibitor-bound Syk | 分子名称: | 1-[(1-{2-[(3-chloro-1,2-dimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2014-12-30 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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5L1N
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![BU of 5l1n by Molmil](/molmil-images/mine/5l1n) | Pyrococcus horikoshii CoA Disulfide Reductase Quadruple Mutant | 分子名称: | COENZYME A, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Sea, K, Chen, B, Crane III, E.J, Sazinsky, M.H. | 登録日 | 2016-07-29 | 公開日 | 2017-08-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | A broader active site inPyrococcus horikoshiiCoA disulfide reductase accommodates larger substrates and reveals evidence of subunit asymmetry. FEBS Open Bio, 8, 2018
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8VB1
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![BU of 8vb1 by Molmil](/molmil-images/mine/8vb1) | Crystal structure of HIV-1 protease with GS-9770 | 分子名称: | (2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2E,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate, HIV-1 protease | 著者 | Lansdon, E.B. | 登録日 | 2023-12-11 | 公開日 | 2024-03-06 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Preclinical characterization of a non-peptidomimetic HIV protease inhibitor with improved metabolic stability. Antimicrob.Agents Chemother., 68, 2024
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