5JX5
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![BU of 5jx5 by Molmil](/molmil-images/mine/5jx5) | GH6 Orpinomyces sp. Y102 enzyme | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Tsai, L.C, Huang, H.C. | Deposit date: | 2016-05-12 | Release date: | 2017-05-17 | Last modified: | 2019-10-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of GH6 Orpinomyces sp. Y102 CelC7 enzyme with exo- and endo- activity in a complex with cellobiose Acta Crystallogr.,Sect.D, 2019
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6IDW
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![BU of 6idw by Molmil](/molmil-images/mine/6idw) | GH6 Orpinomyces sp. Y102 enzyme | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Tsai, L.C, Huang, H.C. | Deposit date: | 2018-09-11 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Crystal structures of the GH6 Orpinomyces sp. Y102 CelC7 enzyme with exo and endo activity and its complex with cellobiose. Acta Crystallogr D Struct Biol, 75, 2019
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3HR9
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![BU of 3hr9 by Molmil](/molmil-images/mine/3hr9) | The truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase F40I mutant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Beta-glucanase, ... | Authors: | Tsai, L.C, Huang, H.C, Hsiao, C.H. | Deposit date: | 2009-06-09 | Release date: | 2009-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase mutant F40I To be Published
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7EWH
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![BU of 7ewh by Molmil](/molmil-images/mine/7ewh) | Crystal structure of human PHGDH in complex with Homoharringtonine | Descriptor: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, D-3-phosphoglycerate dehydrogenase | Authors: | Hsieh, C.H, Cheng, Y.S, Lee, Y.S, Huang, H.C, Juan, H.F. | Deposit date: | 2021-05-25 | Release date: | 2022-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Homoharringtonine as a PHGDH inhibitor: Unraveling metabolic dependencies and developing a potent therapeutic strategy for high-risk neuroblastoma. Biomed Pharmacother, 166, 2023
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1E94
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![BU of 1e94 by Molmil](/molmil-images/mine/1e94) | HslV-HslU from E.coli | Descriptor: | HEAT SHOCK PROTEIN HSLU, HEAT SHOCK PROTEIN HSLV, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Song, H.K, Hartmann, C, Ravishankar, R, Bochtler, M. | Deposit date: | 2000-10-07 | Release date: | 2000-11-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mutational Studies on Hslu and its Docking Mode with Hslv Proc.Natl.Acad.Sci.USA, 97, 2000
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3LXN
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3LXP
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![BU of 3lxp by Molmil](/molmil-images/mine/3lxp) | |
3LXK
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![BU of 3lxk by Molmil](/molmil-images/mine/3lxk) | Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6 | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase JAK3 | Authors: | Chrencik, J.E, Patny, A, Leung, I.K, Korniski, B, Emmons, T.L, Benson, T.E. | Deposit date: | 2010-02-25 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6. J.Mol.Biol., 400, 2010
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3LXL
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1KM8
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![BU of 1km8 by Molmil](/molmil-images/mine/1km8) | The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog) | Descriptor: | PHOSPHATE ION, RIBONUCLEASE, OOCYTES | Authors: | Chern, S.-S, Musayev, F.N, Amiraslanov, I.R, Liao, Y.-D, Liaw, Y.-C. | Deposit date: | 2001-12-14 | Release date: | 2003-09-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog) To be Published
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1KM9
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![BU of 1km9 by Molmil](/molmil-images/mine/1km9) | The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog) | Descriptor: | PHOSPHATE ION, RIBONUCLEASE, OOCYTES | Authors: | Chern, S.-S, Musayev, F.N, Amiraslanov, I.R, Liao, Y.-D, Liaw, Y.-C. | Deposit date: | 2001-12-14 | Release date: | 2003-09-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog) To be Published
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1M07
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![BU of 1m07 by Molmil](/molmil-images/mine/1m07) | RESIDUES INVOLVED IN THE CATALYSIS AND BASE SPECIFICITY OF CYTOTOXIC RIBONUCLEASE FROM BULLFROG (RANA CATESBEIANA) | Descriptor: | 5'-D(*AP*CP*GP*A)-3', Ribonuclease | Authors: | Leu, Y.-J, Chern, S.-S, Wang, S.-C, Hsiao, Y.-Y, Amiraslanov, I, Liaw, Y.-C, Liao, Y.-D. | Deposit date: | 2002-06-12 | Release date: | 2003-01-21 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Residues involved in the catalysis, base specificity, and cytotoxicity of ribonuclease from Rana catesbeiana based upon mutagenesis and X-ray crystallography J.Biol.Chem., 278, 2003
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4MZ4
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![BU of 4mz4 by Molmil](/molmil-images/mine/4mz4) | Discovery of an Irreversible HCV NS5B Polymerase Inhibitor | Descriptor: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase | Authors: | Zeng, Q, Anilkumar, G.N, Rosenblum, S.B, Huang, H.-C, Lesburg, C.A, Jiang, Y, Selyutin, O, Chan, T.-Y, Bennett, F, Chen, K.X, Venkatraman, S, Sannigrahi, M, Velazquez, F, Duca, J.S, Gavalas, S, Huang, Y, Pu, H, Wang, L, Pinto, P, Vibulbhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Li, C, Hesk, D, Gesell, J, Sorota, S, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | Deposit date: | 2013-09-29 | Release date: | 2013-12-11 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery of an irreversible HCV NS5B polymerase inhibitor. Bioorg.Med.Chem.Lett., 23, 2013
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3U4R
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![BU of 3u4r by Molmil](/molmil-images/mine/3u4r) | Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, RNA-directed RNA polymerase | Authors: | Anilkumar, G.N, Selyutin, O, Rosenblum, S.B, Zeng, Q, Jiang, Y, Chan, T.-Y, Pu, H, Wang, L, Bennett, F, Chen, K.X, Lesburg, C.A, Duca, J.S, Gavalas, S, Huang, Y, Pinto, P, Sannagrahi, M, Velazquez, F, Venkataraman, S, Vilbubhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Huang, H.-C, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | Deposit date: | 2011-10-10 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides. Bioorg.Med.Chem.Lett., 22, 2012
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3U4O
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![BU of 3u4o by Molmil](/molmil-images/mine/3u4o) | Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase | Authors: | Anilkumar, G.N, Selyutin, O, Rosenblum, S.B, Zeng, Q, Jiang, Y, Chan, T.-Y, Pu, H, Wang, L, Bennett, F, Chen, K.X, Lesburg, C.A, Duca, J.S, Gavalas, S, Huang, Y, Pinto, P, Sannigrahi, M, Velazquez, F, Venkataraman, S, Vilbubhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Huang, H.-C, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | Deposit date: | 2011-10-10 | Release date: | 2011-12-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides. Bioorg.Med.Chem.Lett., 22, 2012
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3SKH
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3SKE
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![BU of 3ske by Molmil](/molmil-images/mine/3ske) | I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION | Authors: | Lesburg, C.A, Anilkumar, G.N. | Deposit date: | 2011-06-22 | Release date: | 2011-08-31 | Last modified: | 2012-09-26 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles. Bioorg.Med.Chem.Lett., 21, 2011
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3TYV
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![BU of 3tyv by Molmil](/molmil-images/mine/3tyv) | |
3TYQ
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3SKA
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1DO0
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![BU of 1do0 by Molmil](/molmil-images/mine/1do0) | ORTHORHOMBIC CRYSTAL FORM OF HEAT SHOCK LOCUS U (HSLU) FROM ESCHERICHIA COLI | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROTEIN (HEAT SHOCK LOCUS U), ... | Authors: | Bochtler, M, Hartmann, C, Song, H.K, Bourenkov, G.P, Bartunik, H.D. | Deposit date: | 1999-12-18 | Release date: | 2000-02-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structures of HsIU and the ATP-dependent protease HsIU-HsIV. Nature, 403, 2000
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1DO2
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![BU of 1do2 by Molmil](/molmil-images/mine/1do2) | TRIGONAL CRYSTAL FORM OF HEAT SHOCK LOCUS U (HSLU) FROM ESCHERICHIA COLI | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PROTEIN (HEAT SHOCK LOCUS U) | Authors: | Bochtler, M, Hartmann, C, Song, H.K, Bourenkov, G.P, Bartunik, H.D. | Deposit date: | 1999-12-18 | Release date: | 2000-02-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | The structures of HsIU and the ATP-dependent protease HsIU-HsIV. Nature, 403, 2000
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3H0O
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![BU of 3h0o by Molmil](/molmil-images/mine/3h0o) | The importance of CH-Pi stacking interactions between carbohydrate and aromatic residues in truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Beta-glucanase, ... | Authors: | Tsai, L.C, Hsiao, C.H. | Deposit date: | 2009-04-09 | Release date: | 2010-04-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The importance of CH-Pi stacking interactions between carbohydrate and aromatic residues in truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase To be Published
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7MDC
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![BU of 7mdc by Molmil](/molmil-images/mine/7mdc) | Full-length wildtype ClbP inhibited by hexanoyl-D-asparagine boronic acid | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... | Authors: | Velilla, J.A, Volpe, M.R, Gaudet, R. | Deposit date: | 2021-04-03 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A small molecule inhibitor prevents gut bacterial genotoxin production. Nat.Chem.Biol., 19, 2023
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3LKH
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![BU of 3lkh by Molmil](/molmil-images/mine/3lkh) | |