1X84
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![BU of 1x84 by Molmil](/molmil-images/mine/1x84) | IPP isomerase (wt) reacted with (S)-bromohydrine of IPP | 分子名称: | (S)-4-BROMO-3-HYDROXY-3-METHYLBUTYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ... | 著者 | Wouters, J, Oldfield, E. | 登録日 | 2004-08-17 | 公開日 | 2005-01-25 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase J.Am.Chem.Soc., 127, 2005
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5GIX
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![BU of 5gix by Molmil](/molmil-images/mine/5gix) | Human serum albumin-Palmitic acid-Fe(Hn3piT)Cl2 | 分子名称: | 14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene, PALMITIC ACID, Serum albumin | 著者 | Yang, F, Qi, J, Wang, T. | 登録日 | 2016-06-25 | 公開日 | 2017-07-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.801 Å) | 主引用文献 | Developing Anticancer Ferric Prodrugs Based on the N-Donor Residues of Human Serum Albumin Carrier IIA Subdomain J. Med. Chem., 59, 2016
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1X83
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![BU of 1x83 by Molmil](/molmil-images/mine/1x83) | Y104F IPP isomerase reacted with (S)-bromohydrine of IPP | 分子名称: | (S)-4-BROMO-3-HYDROXY-3-METHYLBUTYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ... | 著者 | Wouters, J, Oldfield, E. | 登録日 | 2004-08-17 | 公開日 | 2005-01-25 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase J.Am.Chem.Soc., 127, 2005
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8H0Z
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![BU of 8h0z by Molmil](/molmil-images/mine/8h0z) | Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-122 Conformation | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | 著者 | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | 登録日 | 2022-09-30 | 公開日 | 2022-11-09 | 最終更新日 | 2023-07-19 | 実験手法 | ELECTRON MICROSCOPY (2.99 Å) | 主引用文献 | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
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4RFM
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![BU of 4rfm by Molmil](/molmil-images/mine/4rfm) | ITK kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian-2-yl)(phenyl)methyl]-1H- pyrazol-4-yl}-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazole-3-carboxamide | 分子名称: | (4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | 著者 | McEwan, P.A, Barker, J.J, Eigenbrot, C. | 登録日 | 2014-09-26 | 公開日 | 2015-04-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo. J.Med.Chem., 58, 2015
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6W5I
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![BU of 6w5i by Molmil](/molmil-images/mine/6w5i) | Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class01) | 分子名称: | DNA (147-MER), Histone H2A, Histone H2B 1.1, ... | 著者 | Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U. | 登録日 | 2020-03-13 | 公開日 | 2021-03-31 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (6.9 Å) | 主引用文献 | Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin. Nat Commun, 12, 2021
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6W5N
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![BU of 6w5n by Molmil](/molmil-images/mine/6w5n) | Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class05) | 分子名称: | DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... | 著者 | Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U. | 登録日 | 2020-03-13 | 公開日 | 2021-03-31 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (6 Å) | 主引用文献 | Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin. Nat Commun, 12, 2021
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6W5M
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![BU of 6w5m by Molmil](/molmil-images/mine/6w5m) | Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class02) | 分子名称: | DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... | 著者 | Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U. | 登録日 | 2020-03-13 | 公開日 | 2021-03-31 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | 主引用文献 | Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin. Nat Commun, 12, 2021
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8HAY
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![BU of 8hay by Molmil](/molmil-images/mine/8hay) | d4-bound btDPP4 | 分子名称: | (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4 | 著者 | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | 登録日 | 2022-10-27 | 公開日 | 2023-07-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target. Science, 381, 2023
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6VYC
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![BU of 6vyc by Molmil](/molmil-images/mine/6vyc) | Crystal structure of WD-repeat domain of human WDR91 | 分子名称: | UNKNOWN ATOM OR ION, WD repeat-containing protein 91 | 著者 | Halabelian, L, Hutchinson, A, Li, Y, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2020-02-26 | 公開日 | 2020-03-25 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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5H21
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4ZH2
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![BU of 4zh2 by Molmil](/molmil-images/mine/4zh2) | |
7MFL
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![BU of 7mfl by Molmil](/molmil-images/mine/7mfl) | |
7C43
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7C4C
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7C4B
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![BU of 7c4b by Molmil](/molmil-images/mine/7c4b) | |
7C45
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7C47
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![BU of 7c47 by Molmil](/molmil-images/mine/7c47) | |
7C42
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7MFK
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3SWJ
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![BU of 3swj by Molmil](/molmil-images/mine/3swj) | Crystal structure of Campylobacter jejuni ChuZ | 分子名称: | AZIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Putative uncharacterized protein | 著者 | Hu, Y. | 登録日 | 2011-07-14 | 公開日 | 2011-11-09 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.409 Å) | 主引用文献 | Crystal structure of Campylobacter jejuni ChuZ: a split-barrel family heme oxygenase with a novel heme-binding mode. Biochem.Biophys.Res.Commun., 415, 2011
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5KU9
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![BU of 5ku9 by Molmil](/molmil-images/mine/5ku9) | Crystal structure of MCL1 with compound 1 | 分子名称: | (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION | 著者 | Ferguson, A.D. | 登録日 | 2016-07-13 | 公開日 | 2017-01-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors. ACS Med Chem Lett, 8, 2017
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3I5N
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![BU of 3i5n by Molmil](/molmil-images/mine/3i5n) | Crystal structure of c-Met with triazolopyridazine inhibitor 13 | 分子名称: | 7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine, Hepatocyte growth factor receptor | 著者 | Bellon, S.F, Whittington, D.A, Long, A.M, Boezio, A.A. | 登録日 | 2009-07-06 | 公開日 | 2010-01-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery and optimization of potent and selective triazolopyridazine series of c-Met inhibitors Bioorg.Med.Chem.Lett., 19, 2009
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7CKK
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![BU of 7ckk by Molmil](/molmil-images/mine/7ckk) | Structural complex of FTO bound with Dac51 | 分子名称: | 2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide, Alpha-ketoglutarate-dependent dioxygenase FTO, N-OXALYLGLYCINE | 著者 | Yang, C, Gan, J. | 登録日 | 2020-07-17 | 公開日 | 2021-07-21 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Tumors exploit FTO-mediated regulation of glycolytic metabolism to evade immune surveillance. Cell Metab., 33, 2021
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4ZH3
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![BU of 4zh3 by Molmil](/molmil-images/mine/4zh3) | |