6DIR
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![BU of 6dir by Molmil](/molmil-images/mine/6dir) | Crystal structure of HCV NS3/4A protease in complex with P4-P5-2 (AJ-67) | 分子名称: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5H)-carboxamide, NS3 protease, SULFATE ION, ... | 著者 | Matthew, A.N, Schiffer, C.A. | 登録日 | 2018-05-23 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.751 Å) | 主引用文献 | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published
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7YG1
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![BU of 7yg1 by Molmil](/molmil-images/mine/7yg1) | Cryo-EM structure of the C-terminal domain of the human sodium-chloride cotransporter | 分子名称: | Solute carrier family 12 member 3 | 著者 | Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q. | 登録日 | 2022-07-09 | 公開日 | 2022-11-23 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.77 Å) | 主引用文献 | Cryo-EM structure of the human sodium-chloride cotransporter NCC. Sci Adv, 8, 2022
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6DIV
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![BU of 6div by Molmil](/molmil-images/mine/6div) | Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-2 (AJ-67) | 分子名称: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5H)-carboxamide, GLYCEROL, NS3 protease, ... | 著者 | Matthew, A.N, Schiffer, C.A. | 登録日 | 2018-05-23 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published
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5K9B
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7Y9N
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![BU of 7y9n by Molmil](/molmil-images/mine/7y9n) | an engineered 5-helix bundle derived from SARS-CoV-2 S2 in complex with HR2P | 分子名称: | SARS-coV-2 S2 subunit, Spike protein S2',5HB-H2 | 著者 | Lu, G.W, Lin, X, Guo, L.Y, Lin, S. | 登録日 | 2022-06-25 | 公開日 | 2022-08-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.885 Å) | 主引用文献 | An engineered 5-helix bundle derived from SARS-CoV-2 S2 pre-binds sarbecoviral spike at both serological- and endosomal-pH to inhibit virus entry. Emerg Microbes Infect, 11, 2022
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6DJ2
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![BU of 6dj2 by Molmil](/molmil-images/mine/6dj2) | HIV-1 protease with single mutation L76V in complex with Lopinavir | 分子名称: | CHLORIDE ION, HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... | 著者 | Wang, Y.-F, Wong-Sam, A.E, Zhang, Y, Weber, I.T. | 登録日 | 2018-05-24 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
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7YG0
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![BU of 7yg0 by Molmil](/molmil-images/mine/7yg0) | Cryo-EM structure of human sodium-chloride cotransporter | 分子名称: | Solute carrier family 12 member 3 | 著者 | Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q. | 登録日 | 2022-07-09 | 公開日 | 2022-11-23 | 実験手法 | ELECTRON MICROSCOPY (3.75 Å) | 主引用文献 | Cryo-EM structure of the human sodium-chloride cotransporter NCC. Sci Adv, 8, 2022
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6DKP
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![BU of 6dkp by Molmil](/molmil-images/mine/6dkp) | The complex among DMF5(alpha-D26Y, alpha-Y50A,beta-L98W) TCR, human Class I MHC HLA-A2 and MART-1(26-35)(A27L) peptide | 分子名称: | Beta-2-microglobulin, DMF5 T-cell Receptor Alpha Chain fusion, DMF5 T-cell Receptor Beta Chain fusion, ... | 著者 | Hellman, L.M, Singh, N.K. | 登録日 | 2018-05-30 | 公開日 | 2019-04-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.966 Å) | 主引用文献 | Improving T Cell Receptor On-Target Specificity via Structure-Guided Design. Mol. Ther., 27, 2019
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5KBJ
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![BU of 5kbj by Molmil](/molmil-images/mine/5kbj) | Structure of Rep-DNA complex | 分子名称: | DNA (32-MER), Replication initiator A, N-terminal | 著者 | Schumacher, M. | 登録日 | 2016-06-03 | 公開日 | 2016-06-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | 主引用文献 | Mechanism of staphylococcal multiresistance plasmid replication origin assembly by the RepA protein. Proc. Natl. Acad. Sci. U.S.A., 111, 2014
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6DAR
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![BU of 6dar by Molmil](/molmil-images/mine/6dar) | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | 分子名称: | DIMETHYL SULFOXIDE, N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide, SULFATE ION, ... | 著者 | Phan, J, Fesik, S.W. | 登録日 | 2018-05-01 | 公開日 | 2018-09-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J. Med. Chem., 61, 2018
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3UGK
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![BU of 3ugk by Molmil](/molmil-images/mine/3ugk) | Crystal Structure of C205S mutant and Saccharopine Dehydrogenase from Saccharomyces cerevisiae. | 分子名称: | Saccharopine dehydrogenase [NAD+, L-lysine-forming] | 著者 | Cook, P.F, Kumar, V.P, Thomas, L.M, West, A.H, Bobyk, K.D. | 登録日 | 2011-11-02 | 公開日 | 2012-02-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Evidence in Support of Lysine 77 and Histidine 96 as Acid-Base Catalytic Residues in Saccharopine Dehydrogenase from Saccharomyces cerevisiae. Biochemistry, 51, 2012
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6DMR
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6DBP
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6DNA
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![BU of 6dna by Molmil](/molmil-images/mine/6dna) | Crystal structure of T110A mutant human Glutamate oxaloacetate transaminase 1 (GOT1) | 分子名称: | Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A. | 登録日 | 2018-06-06 | 公開日 | 2018-11-14 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors. Biochemistry, 57, 2018
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6DO6
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![BU of 6do6 by Molmil](/molmil-images/mine/6do6) | NMR solution structure of wild type apo hFABP1 at 308 K | 分子名称: | Fatty acid-binding protein, liver | 著者 | Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R. | 登録日 | 2018-06-09 | 公開日 | 2018-12-26 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists. J. Biol. Chem., 294, 2019
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5K9Q
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![BU of 5k9q by Molmil](/molmil-images/mine/5k9q) | Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.a.26 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin | 分子名称: | 16.a.26 Heavy chain, 16.a.26 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | 登録日 | 2016-06-01 | 公開日 | 2016-11-30 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.503 Å) | 主引用文献 | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell(Cambridge,Mass.), 166, 2016
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4OYF
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![BU of 4oyf by Molmil](/molmil-images/mine/4oyf) | Crystal structure of GLTPH R397A IN Sodium-bound state | 分子名称: | GLUTAMATE SYMPORT PROTEIN, SODIUM ION | 著者 | Boudker, O, Oh, S, Verdon, G, Serio, R. | 登録日 | 2014-02-11 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.41 Å) | 主引用文献 | Coupled ion binding and structural transitions along the transport cycle of glutamate transporters. Elife, 3, 2014
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6D4O
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![BU of 6d4o by Molmil](/molmil-images/mine/6d4o) | Eubacterium eligens beta-glucuronidase bound to an amoxapine-glucuronide conjugate | 分子名称: | (5aR,9aR)-2-chloro-11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine, Beta-glucuronidase, CHLORIDE ION, ... | 著者 | Pellock, S.J, Walton, W.G, Redinbo, M.R. | 登録日 | 2018-04-18 | 公開日 | 2018-07-25 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Gut Microbial beta-Glucuronidase Inhibition via Catalytic Cycle Interception. ACS Cent Sci, 4, 2018
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6DEB
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![BU of 6deb by Molmil](/molmil-images/mine/6deb) | Crystal Structure of Bifunctional Enzyme FolD-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate from Campylobacter jejuni | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional protein FolD, ... | 著者 | Kim, Y, Makowska-Grzyska, M, Maltseva, N, Grimshaw, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-05-11 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal Structure of Bifunctional Enzyme FolD-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate from Campylobacter jejuni To Be Published
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6D5J
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![BU of 6d5j by Molmil](/molmil-images/mine/6d5j) | Ras:SOS:Ras in complex with a small molecule activator | 分子名称: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | 著者 | Phan, J, Hodges, T, Fesik, S.W. | 登録日 | 2018-04-19 | 公開日 | 2018-09-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.751 Å) | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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6DEM
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6D6N
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3UPQ
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![BU of 3upq by Molmil](/molmil-images/mine/3upq) | Crystal structure of the pre-catalytic ternary complex of polymerase lambda with an rATP analog opposite a templating T. | 分子名称: | 5'-D(*CP*AP*GP*TP*AP*C)-3', 5'-D(*CP*GP*GP*CP*TP*GP*TP*AP*CP*TP*G)-3', 5'-D(P*GP*CP*CP*G)-3', ... | 著者 | Gosavi, R.A, Moon, A.F, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | 登録日 | 2011-11-18 | 公開日 | 2012-05-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The catalytic cycle for ribonucleotide incorporation by human DNA Pol lambda Nucleic Acids Res., 40, 2012
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6DGT
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![BU of 6dgt by Molmil](/molmil-images/mine/6dgt) | Selective PI3K beta inhibitor bound to PI3K delta | 分子名称: | 4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Somoza, J, Villasenor, A, McGrath, M. | 登録日 | 2018-05-18 | 公開日 | 2018-08-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | 主引用文献 | Atropisomerism by Design: Discovery of a Selective and Stable Phosphoinositide 3-Kinase (PI3K) beta Inhibitor. J. Med. Chem., 61, 2018
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6DHI
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