7Z0S
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3OKY
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![BU of 3oky by Molmil](/molmil-images/mine/3oky) | Plexin A2 in complex with Semaphorin 6A | 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, GLYCEROL, ... | 著者 | Janssen, B.J.C, Robinson, R.A, Bell, C.H, Siebold, C, Jones, E.Y. | 登録日 | 2010-08-25 | 公開日 | 2010-10-13 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.195 Å) | 主引用文献 | Structural basis of semaphorin-plexin signalling. Nature, 467, 2010
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6E3S
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![BU of 6e3s by Molmil](/molmil-images/mine/6e3s) | Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist PT2385 | 分子名称: | 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | 著者 | Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F. | 登録日 | 2018-07-15 | 公開日 | 2019-02-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Bidirectional modulation of HIF-2 activity through chemical ligands. Nat. Chem. Biol., 15, 2019
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6E3U
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![BU of 6e3u by Molmil](/molmil-images/mine/6e3u) | Crystal Structure of the Heterodimeric HIF-2 Complex with Agonist M1001 | 分子名称: | 3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | 著者 | Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F. | 登録日 | 2018-07-15 | 公開日 | 2019-02-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Bidirectional modulation of HIF-2 activity through chemical ligands. Nat. Chem. Biol., 15, 2019
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6UIT
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![BU of 6uit by Molmil](/molmil-images/mine/6uit) | HIV-1 wild-type reverse transcriptase-DNA complex with dCTP | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA primer, DNA template, ... | 著者 | Lansdon, E.B. | 登録日 | 2019-10-01 | 公開日 | 2019-12-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.80607414 Å) | 主引用文献 | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance. Commun Biol, 2, 2019
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1LNE
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![BU of 1lne by Molmil](/molmil-images/mine/1lne) | A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN | 分子名称: | CADMIUM ION, CALCIUM ION, DIMETHYL SULFOXIDE, ... | 著者 | Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W. | 登録日 | 1994-05-13 | 公開日 | 1995-05-08 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural analysis of zinc substitutions in the active site of thermolysin. Protein Sci., 4, 1995
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6VZP
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![BU of 6vzp by Molmil](/molmil-images/mine/6vzp) | HBV wild type capsid | 分子名称: | Capsid protein | 著者 | Zhao, Z, Wang, J, Zlotnick, A. | 登録日 | 2020-02-28 | 公開日 | 2020-09-30 | 最終更新日 | 2020-12-30 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly. Acs Chem.Biol., 15, 2020
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4ZA5
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![BU of 4za5 by Molmil](/molmil-images/mine/4za5) | Structure of A. niger Fdc1 with the prenylated-flavin cofactor in the iminium and ketimine forms. | 分子名称: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, Fdc1, ... | 著者 | Payne, K.A.P, Leys, D. | 登録日 | 2015-04-13 | 公開日 | 2015-06-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. Nature, 522, 2015
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5UDP
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![BU of 5udp by Molmil](/molmil-images/mine/5udp) | High resolution x-ray crystal structure of synthetic insulin lispro | 分子名称: | CHLORIDE ION, Insulin Lispro A chain, Insulin Lispro B chain, ... | 著者 | Mandal, K, Dhayalan, B, Kent, S.B.H. | 登録日 | 2016-12-28 | 公開日 | 2017-01-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.348 Å) | 主引用文献 | Scope and Limitations of Fmoc Chemistry SPPS-Based Approaches to the Total Synthesis of Insulin Lispro via Ester Insulin. Chemistry, 23, 2017
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5UDW
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![BU of 5udw by Molmil](/molmil-images/mine/5udw) | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with nickel | 分子名称: | Lactate racemization operon protein LarE, NICKEL (II) ION, PHOSPHATE ION, ... | 著者 | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | 登録日 | 2016-12-28 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.698 Å) | 主引用文献 | Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6W0K
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![BU of 6w0k by Molmil](/molmil-images/mine/6w0k) | HBV D78S mutant capsid | 分子名称: | Capsid protein | 著者 | Zhao, Z, Wang, J, Zlotnick, A. | 登録日 | 2020-03-01 | 公開日 | 2020-09-30 | 最終更新日 | 2020-12-30 | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | 主引用文献 | The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly. Acs Chem.Biol., 15, 2020
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6W7S
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![BU of 6w7s by Molmil](/molmil-images/mine/6w7s) | Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 2G10 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2G10 (Fab heavy chain), 2G10 (Fab light chain), ... | 著者 | Cogan, D.P, Mathews, I.I, Khosla, C. | 登録日 | 2020-03-19 | 公開日 | 2020-09-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction. J.Am.Chem.Soc., 142, 2020
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7EB2
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![BU of 7eb2 by Molmil](/molmil-images/mine/7eb2) | Cryo-EM structure of human GABA(B) receptor-Gi protein complex | 分子名称: | (3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one, Gamma-aminobutyric acid type B receptor subunit 1, Gamma-aminobutyric acid type B receptor subunit 2, ... | 著者 | Shen, C, Mao, C, Xu, C, Jin, N, Zhang, H, Shen, D, Shen, Q, Wang, X, Hou, T, Rondard, P, Chen, Z, Pin, J, Zhang, Y, Liu, J. | 登録日 | 2021-03-08 | 公開日 | 2021-05-05 | 最終更新日 | 2021-07-07 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structural basis of GABA B receptor-G i protein coupling. Nature, 594, 2021
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5ZJS
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![BU of 5zjs by Molmil](/molmil-images/mine/5zjs) | Structure of AbdB/Exd complex bound to a 'Blue14' DNA sequence | 分子名称: | DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*TP*AP*AP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*TP*TP*AP*AP*TP*CP*AP*TP*GP*C)-3'), Homeobox protein abdominal-B, ... | 著者 | Baburajendran, N, Zeiske, T, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G. | 登録日 | 2018-03-22 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.896 Å) | 主引用文献 | Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites. Cell Rep, 24, 2018
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3MED
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![BU of 3med by Molmil](/molmil-images/mine/3med) | HIV-1 K103N Reverse Transcriptase in Complex with TMC125 | 分子名称: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, CHLORIDE ION, SULFATE ION, ... | 著者 | Lansdon, E.B. | 登録日 | 2010-03-31 | 公開日 | 2010-05-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design. J.Med.Chem., 53, 2010
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6C1S
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![BU of 6c1s by Molmil](/molmil-images/mine/6c1s) | Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile | 著者 | Jacobs, M.D, Griffin, J.P. | 登録日 | 2018-01-05 | 公開日 | 2018-06-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide 3-Kinase gamma (PI3K gamma ) Inhibitors with Potential for the Treatment of Multiple Sclerosis (MS). J. Med. Chem., 61, 2018
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6G7R
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![BU of 6g7r by Molmil](/molmil-images/mine/6g7r) | Structure of fully reduced variant E28Q of E. coli hydrogenase-1 at pH 8 | 分子名称: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, FE3-S4 CLUSTER, ... | 著者 | Carr, S.B, Armstrong, F.A, Evans, R.M. | 登録日 | 2018-04-06 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase. J. Am. Chem. Soc., 140, 2018
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5GN6
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![BU of 5gn6 by Molmil](/molmil-images/mine/5gn6) | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17b | 分子名称: | 4-butyl-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL, Glycerol kinase | 著者 | Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K. | 登録日 | 2016-07-19 | 公開日 | 2017-07-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei. Faseb J., 33, 2019
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6GAN
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![BU of 6gan by Molmil](/molmil-images/mine/6gan) | Structure of fully reduced Hydrogenase (Hyd-2) variant E14Q | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2 large chain, ... | 著者 | Carr, S.B, Armstrong, F.A, Evans, R.M. | 登録日 | 2018-04-11 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase. J. Am. Chem. Soc., 140, 2018
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2OBQ
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![BU of 2obq by Molmil](/molmil-images/mine/2obq) | Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization | 分子名称: | Hepatitis C virus, ZINC ION | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | 登録日 | 2006-12-19 | 公開日 | 2007-07-31 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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2OC0
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![BU of 2oc0 by Molmil](/molmil-images/mine/2oc0) | Structure of NS3 complexed with a ketoamide inhibitor SCh491762 | 分子名称: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ... | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | 登録日 | 2006-12-20 | 公開日 | 2007-07-31 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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6TAA
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![BU of 6taa by Molmil](/molmil-images/mine/6taa) | STRUCTURE AND MOLECULAR MODEL REFINEMENT OF ASPERGILLUS ORYZAE (TAKA) ALPHA-AMYLASE: AN APPLICATION OF THE SIMULATED-ANNEALING METHOD | 分子名称: | ALPHA-AMYLASE, CALCIUM ION | 著者 | Swift, H.J, Brady, L, Derewenda, Z.S, Dodson, E.J, Turkenburg, J.P, Wilkinson, A.J. | 登録日 | 1992-08-21 | 公開日 | 1993-10-31 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure and molecular model refinement of Aspergillus oryzae (TAKA) alpha-amylase: an application of the simulated-annealing method. Acta Crystallogr.,Sect.B, 47, 1991
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1MCH
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![BU of 1mch by Molmil](/molmil-images/mine/1mch) | PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS | 分子名称: | IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-B-ALA-B-ALA-OH | 著者 | Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W. | 登録日 | 1993-02-25 | 公開日 | 1994-01-31 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Principles and pitfalls in designing site-directed peptide ligands. Proteins, 16, 1993
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7LFC
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7LEQ
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![BU of 7leq by Molmil](/molmil-images/mine/7leq) | |