4I8W
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![BU of 4i8w by Molmil](/molmil-images/mine/4i8w) | Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL007 | 分子名称: | 4-{[(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid, Protease | 著者 | Yedidi, R.S, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | 登録日 | 2012-12-04 | 公開日 | 2013-07-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety. Antimicrob.Agents Chemother., 57, 2013
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8TWV
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![BU of 8twv by Molmil](/molmil-images/mine/8twv) | ELIC5 with Propylamine in spNW15 nanodiscs with 2:1:1 POPC:POPE:POPG | 分子名称: | 3-AMINOPROPANE, Gamma-aminobutyric-acid receptor subunit beta-1 | 著者 | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | 登録日 | 2023-08-21 | 公開日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel. Nat Commun, 15, 2024
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8TWZ
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![BU of 8twz by Molmil](/molmil-images/mine/8twz) | ELIC with Propylamine in spNW15 nanodiscs with 2:1:1 POPC:POPE:POPG | 分子名称: | 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel | 著者 | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | 登録日 | 2023-08-21 | 公開日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.17 Å) | 主引用文献 | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel. Nat Commun, 15, 2024
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4I8Z
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![BU of 4i8z by Molmil](/molmil-images/mine/4i8z) | Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL008 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease | 著者 | Yedidi, R.S, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | 登録日 | 2012-12-04 | 公開日 | 2013-07-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety. Antimicrob.Agents Chemother., 57, 2013
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1JSV
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1W7G
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![BU of 1w7g by Molmil](/molmil-images/mine/1w7g) | Alpha-thrombin complex with sulfated hirudin (residues 54-65) and L- Arginine template inhibitor CS107 | 分子名称: | HIRUDIN I, N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE, THROMBIN | 著者 | Remiche, J, Sauvage, E, Herman, R, Charlier, P. | 登録日 | 2004-09-02 | 公開日 | 2006-05-24 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Design, Synthesis and Evaluation of Graftable Thrombin Inhibitors for the Preparation of Blood-Compatible Polymer Materials. Org.Biomol.Chem., 3, 2005
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8IBI
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![BU of 8ibi by Molmil](/molmil-images/mine/8ibi) | Inactive mutant of CtPL-H210S/F214I | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | 著者 | Li, X, Shi, B.L, Zeng, Z.Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-02-10 | 公開日 | 2023-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Functional tailoring of a PET hydrolytic enzyme expressed in Pichia pastoris. Bioresour Bioprocess, 10, 2023
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6XZO
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![BU of 6xzo by Molmil](/molmil-images/mine/6xzo) | Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-bromo-2-hydroxybenzyl)amino)ethyl)ureido) benzenesulfonamide | 分子名称: | 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | 著者 | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | 登録日 | 2020-02-05 | 公開日 | 2020-09-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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8IBJ
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![BU of 8ibj by Molmil](/molmil-images/mine/8ibj) | Inactive mutant of CtPL-H210S/F214I/N181A/F235L | 分子名称: | PET hydrolase | 著者 | Li, X, Shi, B.L, Zeng, Z.Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-02-10 | 公開日 | 2023-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Functional tailoring of a PET hydrolytic enzyme expressed in Pichia pastoris. Bioresour Bioprocess, 10, 2023
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8IAN
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![BU of 8ian by Molmil](/molmil-images/mine/8ian) | Crystal structure of CtPL-H210S/F214I mutant | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PET hydrolase | 著者 | Li, X, Shi, B.L, Zeng, Z.Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-02-08 | 公開日 | 2023-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Functional tailoring of a PET hydrolytic enzyme expressed in Pichia pastoris. Bioresour Bioprocess, 10, 2023
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1VFR
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![BU of 1vfr by Molmil](/molmil-images/mine/1vfr) | THE MAJOR NAD(P)H:FMN OXIDOREDUCTASE FROM VIBRIO FISCHERI | 分子名称: | FLAVIN MONONUCLEOTIDE, NAD(P)H:FMN OXIDOREDUCTASE | 著者 | Koike, H, Sasaki, H, Kobori, T, Zenno, S, Saigo, K, Murphy, M.E.P, Adman, E.T, Tanokura, M. | 登録日 | 1998-01-09 | 公開日 | 1999-02-16 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 1.8 A crystal structure of the major NAD(P)H:FMN oxidoreductase of a bioluminescent bacterium, Vibrio fischeri: overall structure, cofactor and substrate-analog binding, and comparison with related flavoproteins. J.Mol.Biol., 280, 1998
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4L5M
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4JXH
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1JM4
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![BU of 1jm4 by Molmil](/molmil-images/mine/1jm4) | NMR Structure of P/CAF Bromodomain in Complex with HIV-1 Tat Peptide | 分子名称: | HIV-1 Tat Peptide, P300/CBP-associated Factor | 著者 | Mujtaba, S, He, Y, Zeng, L, Farooq, A, Carlson, J.E, Ott, M, Verdin, E, Zhou, M.-M. | 登録日 | 2001-07-17 | 公開日 | 2002-07-17 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis of lysine-acetylated HIV-1 Tat recognition by PCAF bromodomain Mol.Cell, 9, 2002
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7QGY
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![BU of 7qgy by Molmil](/molmil-images/mine/7qgy) | Human carbonic anhydrase II in complex with 3-((5-(ethoxycarbonyl)-4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid | 分子名称: | 3-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, ZINC ION | 著者 | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-12-10 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 2022
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7QGX
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![BU of 7qgx by Molmil](/molmil-images/mine/7qgx) | Human carbonic anhydrase II in complex with 3-((5-chloro-4-(4-chlorophenyl)thiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid | 分子名称: | 3-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid, Carbonic anhydrase 2, MALONATE ION, ... | 著者 | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-12-10 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 2022
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7QGZ
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![BU of 7qgz by Molmil](/molmil-images/mine/7qgz) | Human carbonic anhydrase II in complex with Methyl 3-((4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoate | 分子名称: | Carbonic anhydrase 2, ZINC ION, methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate | 著者 | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2021-12-10 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 2022
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4YCT
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1KTX
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![BU of 1ktx by Molmil](/molmil-images/mine/1ktx) | KALIOTOXIN (1-37) SHOWS STRUCTURAL DIFFERENCES WITH RELATED POTASSIUM CHANNEL BLOCKERS | 分子名称: | KALIOTOXIN | 著者 | Fernandez, I, Romi, R, Szendefi, S, Martin-Eauclaire, M.-F, Rochat, H, Van Rietschtoten, J, Pons, M, Giralt, E. | 登録日 | 1994-06-02 | 公開日 | 1995-01-26 | 最終更新日 | 2017-11-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Kaliotoxin (1-37) shows structural differences with related potassium channel blockers. Biochemistry, 33, 1994
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1T4U
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![BU of 1t4u by Molmil](/molmil-images/mine/1t4u) | Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin | 分子名称: | 2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER, Hirudin IIIA, Prothrombin | 著者 | Spurlino, J. | 登録日 | 2004-04-30 | 公開日 | 2005-03-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis BIOORG.MED.CHEM.LETT., 14, 2004
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6YPW
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![BU of 6ypw by Molmil](/molmil-images/mine/6ypw) | Crystal structure for the complex of human carbonic anhydrase II and 4-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide | 分子名称: | 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Angeli, A, Ferraroni, M. | 登録日 | 2020-04-16 | 公開日 | 2021-04-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors. J.Med.Chem., 64, 2021
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8DLE
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![BU of 8dle by Molmil](/molmil-images/mine/8dle) | Crosslinked Crystal Structure of the 8-amino-7-oxonanoate synthase, BioF, and Benzene Sulfonyl Fluoride-crypto Acyl Carrier Protein, BSF-ACP | 分子名称: | 1,2-ETHANEDIOL, 8-amino-7-oxononanoate synthase, Acyl carrier protein, ... | 著者 | Chen, A, Davis, T.D, Louie, G.V, Bowman, M.E, Noel, J.P, Burkart, M.D. | 登録日 | 2022-07-07 | 公開日 | 2023-07-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crosslinked Crystal Structure of the 8-amino-7-oxonanoate synthase, BioF, and Benzene Sulfonyl Fluoride-crypto Acyl Carrier Protein, BSF-ACP. To Be Published
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6XZS
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![BU of 6xzs by Molmil](/molmil-images/mine/6xzs) | Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | 分子名称: | 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | 著者 | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, F, Supuran, C.T. | 登録日 | 2020-02-05 | 公開日 | 2020-09-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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6XZY
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![BU of 6xzy by Molmil](/molmil-images/mine/6xzy) | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | 分子名称: | 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | 著者 | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | 登録日 | 2020-02-05 | 公開日 | 2020-09-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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2AGV
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![BU of 2agv by Molmil](/molmil-images/mine/2agv) | Crystal structure of the SR CA2+-ATPASE with BHQ and TG | 分子名称: | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | 著者 | Toyoshima, C, Obara, K, Norimatsu, Y. | 登録日 | 2005-07-27 | 公開日 | 2005-10-25 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Inaugural Article: Structural role of countertransport revealed in Ca2+ pump crystal structure in the absence of Ca2+. Proc.Natl.Acad.Sci.USA, 102, 2005
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