2MWL
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2W66
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![BU of 2w66 by Molmil](/molmil-images/mine/2w66) | BtGH84 in complex with HQ602 | Descriptor: | CALCIUM ION, GLYCEROL, N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide, ... | Authors: | He, Y, Davies, G.J. | Deposit date: | 2008-12-17 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion. J.Am.Chem.Soc., 131, 2009
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2W67
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![BU of 2w67 by Molmil](/molmil-images/mine/2w67) | BtGH84 in complex with FMA34 | Descriptor: | CALCIUM ION, GLYCEROL, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, ... | Authors: | He, Y, Davies, G.J. | Deposit date: | 2008-12-17 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion. J.Am.Chem.Soc., 131, 2009
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5NJH
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![BU of 5njh by Molmil](/molmil-images/mine/5njh) | Triazolopyrimidines stabilize microtubules by binding to the vinca inhibitor site of tubulin | Descriptor: | 5-chloranyl-7-[(1~{R},5~{S})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Sharma, A, Calvo, G.S, Prota, A.E, Diaz, J.F, Steinmetz, M.O. | Deposit date: | 2017-03-28 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.394 Å) | Cite: | Triazolopyrimidines Are Microtubule-Stabilizing Agents that Bind the Vinca Inhibitor Site of Tubulin. Cell Chem Biol, 24, 2017
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5N83
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4RPJ
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4RPH
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4RPK
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![BU of 4rpk by Molmil](/molmil-images/mine/4rpk) | Crystal structure of Micobacterium tuberculosis UDP-Galactopyranose mutase in complex with tetrafluorinated substrate analog UDP-F4-Galf | Descriptor: | (2R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,3,4,4-tetrafluorotetrahydrofuran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase | Authors: | Van Straaten, K.E, Sanders, D.A.R. | Deposit date: | 2014-10-30 | Release date: | 2015-01-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Basis of Ligand Binding to UDP-Galactopyranose Mutase from Mycobacterium tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues. J.Am.Chem.Soc., 137, 2015
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4RPL
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![BU of 4rpl by Molmil](/molmil-images/mine/4rpl) | Crystal structure of Micobacterium tuberculosis UDP-Galactopyranose mutase in complex with tetrafluorinated substrate analog UDP-F4-Galp | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase, [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,5S,6R)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) | Authors: | Van Straaten, K.E, Sanders, D.A.R. | Deposit date: | 2014-10-30 | Release date: | 2015-01-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2499 Å) | Cite: | Structural Basis of Ligand Binding to UDP-Galactopyranose Mutase from Mycobacterium tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues. J.Am.Chem.Soc., 137, 2015
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4RPG
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5NBH
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5NC1
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6EOY
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![BU of 6eoy by Molmil](/molmil-images/mine/6eoy) | Transthyretin in complex with 4-(1,3-Benzothiazol-2-yl)-2-methylaniline | Descriptor: | 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline, Transthyretin | Authors: | Leite, J.P, Gales, L. | Deposit date: | 2017-10-10 | Release date: | 2021-10-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Targeting transthyretin in Alzheimer's disease: Drug discovery of small-molecule chaperones as disease-modifying drug candidates for Alzheimer's disease. Eur.J.Med.Chem., 226, 2021
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4D63
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4D62
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8TJ8
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![BU of 8tj8 by Molmil](/molmil-images/mine/8tj8) | CRYSTAL STRUCTURE OF THE A/Moscow/10/1999(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | Authors: | Wu, N.C, Zhu, X, Wilson, I.A. | Deposit date: | 2023-07-20 | Release date: | 2024-02-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site. Cell Host Microbe, 32, 2024
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8TJ4
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![BU of 8tj4 by Molmil](/molmil-images/mine/8tj4) | CRYSTAL STRUCTURE OF THE A/Bangkok/1/1979(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, N.C, Zhu, X, Wilson, I.A. | Deposit date: | 2023-07-20 | Release date: | 2024-02-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site. Cell Host Microbe, 32, 2024
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8TJ7
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![BU of 8tj7 by Molmil](/molmil-images/mine/8tj7) | CRYSTAL STRUCTURE OF THE A/Shandong/9/1993(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | Authors: | Wu, N.C, Zhu, X, Wilson, I.A. | Deposit date: | 2023-07-20 | Release date: | 2024-02-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site. Cell Host Microbe, 32, 2024
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8TJB
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![BU of 8tjb by Molmil](/molmil-images/mine/8tjb) | CRYSTAL STRUCTURE OF THE A/Texas/73/2017(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | Authors: | Wu, N.C, Zhu, X, Wilson, I.A. | Deposit date: | 2023-07-20 | Release date: | 2024-02-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site. Cell Host Microbe, 32, 2024
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8TJ6
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![BU of 8tj6 by Molmil](/molmil-images/mine/8tj6) | CRYSTAL STRUCTURE OF THE A/Beijing/353/1989(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, N.C, Zhu, X, Wilson, I.A. | Deposit date: | 2023-07-20 | Release date: | 2024-02-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site. Cell Host Microbe, 32, 2024
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8TJ9
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![BU of 8tj9 by Molmil](/molmil-images/mine/8tj9) | CRYSTAL STRUCTURE OF THE A/Michigan/15/2014(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wu, N.C, Zhu, X, Wilson, I.A. | Deposit date: | 2023-07-20 | Release date: | 2024-02-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site. Cell Host Microbe, 32, 2024
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8TJA
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![BU of 8tja by Molmil](/molmil-images/mine/8tja) | CRYSTAL STRUCTURE OF THE A/Ecuador/1374/2016(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wu, N.C, Zhu, X, Wilson, I.A. | Deposit date: | 2023-07-20 | Release date: | 2024-02-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site. Cell Host Microbe, 32, 2024
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2WKS
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![BU of 2wks by Molmil](/molmil-images/mine/2wks) | Structure of Helicobacter pylori Type II Dehydroquinase with a new carbasugar-thiophene inhibitor. | Descriptor: | (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE | Authors: | Otero, J.M, Guardado-Calvo, P, Llamas-Saiz, A.L, Prazeres, V.F.V, Tizon, L, Castedo, L, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2009-06-17 | Release date: | 2009-11-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Synthesis and biological evaluation of new nanomolar competitive inhibitors of Helicobacter pylori type II dehydroquinase. Structural details of the role of the aromatic moieties with essential residues. J. Med. Chem., 53, 2010
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4CW8
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3WLJ
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![BU of 3wlj by Molmil](/molmil-images/mine/3wlj) | Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme EXO1 in complex with 3-deoxy-glucose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, ... | Authors: | Streltsov, V.A, Hrmova, M. | Deposit date: | 2013-11-12 | Release date: | 2015-03-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site. Nat Commun, 10, 2019
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