8P4Z
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![BU of 8p4z by Molmil](/molmil-images/mine/8p4z) | Crystal structure of the human CDK7 kinase domain in complex with LDC4297 | Descriptor: | 2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine, Cyclin-dependent kinase 7, GLYCEROL, ... | Authors: | Laursen, M, Caing-Carlsson, R, Houssari, R, Javadi, A, Kimbung, Y.R, Murina, V, Orozco-Rodriguez, J.M, Svensson, A, Welin, M, Logan, D, Svensson, B, Walse, B. | Deposit date: | 2023-05-23 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of the human CDK7 kinase domain in complex with LDC4297 To Be Published
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4BFC
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![BU of 4bfc by Molmil](/molmil-images/mine/4bfc) | Crystal structure of the C-terminal CMP-Kdo binding domain of WaaA from Acinetobacter baumannii | Descriptor: | 3-DEOXY-D-MANNO-OCTULOSONIC-ACID TRANSFERASE, BETA-MERCAPTOETHANOL, SULFATE ION | Authors: | Kimbung, Y.R, Hakansson, M, Logan, D, Wang, P.F, Schulz, M, Mamat, U, Woodard, R.W. | Deposit date: | 2013-03-18 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the C-Terminal Cmp-Kdo Binding Domain of Waaa from Acinetobacter Baumannii To be Published
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1XC7
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![BU of 1xc7 by Molmil](/molmil-images/mine/1xc7) | Binding of beta-D-glucopyranosyl bismethoxyphosphoramidate to glycogen phosphorylase b: Kinetic and crystallographic studies | Descriptor: | Glycogen phosphorylase, muscle form, N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine, ... | Authors: | Chrysina, E.D, Kosmopoulou, M.N, Kardakaris, R, Bischler, N, Leonidas, D.D, Kannan, T, Loganathan, D, Oikonomakos, N.G. | Deposit date: | 2004-09-01 | Release date: | 2005-02-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Binding of beta-d-glucopyranosyl bismethoxyphosphoramidate to glycogen phosphorylase b: kinetic and crystallographic studies Bioorg.Med.Chem., 13, 2005
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2FFR
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![BU of 2ffr by Molmil](/molmil-images/mine/2ffr) | Crystallographic studies on N-azido-beta-D-glucopyranosylamine, an inhibitor of glycogen phosphorylase: comparison with N-acetyl-beta-D-glucopyranosylamine | Descriptor: | Glycogen phosphorylase, muscle form, N-(azidoacetyl)-beta-D-glucopyranosylamine, ... | Authors: | Petsalakis, E.I, Chrysina, E.D, Tiraidis, C, Hadjiloi, T, Leonidas, D.D, Oikonomakos, N.G, Aich, U, Varghese, B, Loganathan, D. | Deposit date: | 2005-12-20 | Release date: | 2006-06-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystallographic studies on N-azidoacetyl-beta-d-glucopyranosylamine, an inhibitor of glycogen phosphorylase: Comparison with N-acetyl-beta-d-glucopyranosylamine. Bioorg.Med.Chem., 14, 2006
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1FOD
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![BU of 1fod by Molmil](/molmil-images/mine/1fod) | STRUCTURE OF A MAJOR IMMUNOGENIC SITE ON FOOT-AND-MOUTH DISEASE VIRUS | Descriptor: | FOOT AND MOUTH DISEASE VIRUS | Authors: | Logan, D.T, Lea, S, Lewis, R, Stuart, D, Fry, E. | Deposit date: | 1993-10-27 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of a major immunogenic site on foot-and-mouth disease virus. Nature, 362, 1993
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1BBT
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![BU of 1bbt by Molmil](/molmil-images/mine/1bbt) | METHODS USED IN THE STRUCTURE DETERMINATION OF FOOT AND MOUTH DISEASE VIRUS | Descriptor: | FOOT-AND-MOUTH DISEASE VIRUS (SUBUNIT VP1), FOOT-AND-MOUTH DISEASE VIRUS (SUBUNIT VP2), FOOT-AND-MOUTH DISEASE VIRUS (SUBUNIT VP3), ... | Authors: | Acharya, K.R, Fry, E.E, Logan, D.T, Stuart, D.I. | Deposit date: | 1992-05-18 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Methods used in the structure determination of foot-and-mouth disease virus. Acta Crystallogr.,Sect.A, 49, 1993
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7ZXK
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![BU of 7zxk by Molmil](/molmil-images/mine/7zxk) | Human IL-27 in complex with neutralizing SRF388 FAb fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-27 subunit alpha, Interleukin-27 subunit beta, ... | Authors: | Bloch, Y, Skladanowska, K, Strand, J, Welin, M, Logan, D, Hill, J, Savvides, S.N. | Deposit date: | 2022-05-21 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of activation and antagonism of receptor signaling mediated by interleukin-27. Cell Rep, 41, 2022
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5IUQ
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![BU of 5iuq by Molmil](/molmil-images/mine/5iuq) | Galectin-3c in complex with Bisamido-thiogalactoside derivative 4 | Descriptor: | 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside, Galectin-3 | Authors: | Noresson, A.-L, Aurelius, O, Oberg, C.T, Engstrom, O, Sundin, A.P, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J. | Deposit date: | 2016-03-18 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.121 Å) | Cite: | Controlling protein:ligand complex conformation through tuning of arginine-arene interactions: Synthetic and structural studies with 3-benzamido-2-sulfo-galactosides as galectin-3 ligands To Be Published
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3KET
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![BU of 3ket by Molmil](/molmil-images/mine/3ket) | Crystal structure of a Rex-family transcriptional regulatory protein from Streptococcus agalactiae bound to a palindromic operator | Descriptor: | DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*AP*AP*T)-3'), DNA (5'-D(P*AP*TP*TP*TP*CP*AP*CP*AP*AP*TP*T)-3'), MAGNESIUM ION, ... | Authors: | Thiyagarajan, S, Logan, D, von Wachenfeldt, C. | Deposit date: | 2009-10-26 | Release date: | 2010-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | NAD+ pool depletion as a signal for the Rex regulon involved in Streptococcus agalactiae virulence. Plos Pathog., 17, 2021
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3KEO
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![BU of 3keo by Molmil](/molmil-images/mine/3keo) | Crystal Structure of a Rex-family transcriptional regulatory protein from Streptococcus agalactiae complexed with NAD+ | Descriptor: | CHLORIDE ION, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Thiyagarajan, S, Logan, D, von Wachenfeldt, C. | Deposit date: | 2009-10-26 | Release date: | 2010-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | NAD+ pool depletion as a signal for the Rex regulon involved in Streptococcus agalactiae virulence. Plos Pathog., 17, 2021
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3KEQ
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![BU of 3keq by Molmil](/molmil-images/mine/3keq) | |
2VT3
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![BU of 2vt3 by Molmil](/molmil-images/mine/2vt3) | Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, REDOX-SENSING TRANSCRIPTIONAL REPRESSOR REX | Authors: | Wang, E, Bauer, M.C, Rogstam, A, Linse, S, Logan, D, von Wachenfeldt, C. | Deposit date: | 2008-05-08 | Release date: | 2008-09-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex. Mol. Microbiol., 69, 2008
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5J0F
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![BU of 5j0f by Molmil](/molmil-images/mine/5j0f) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P4/5 | Descriptor: | GLYCEROL, Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-28 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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5J0G
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![BU of 5j0g by Molmil](/molmil-images/mine/5j0g) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P7/8 | Descriptor: | OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-28 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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5J07
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![BU of 5j07 by Molmil](/molmil-images/mine/5j07) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P1/2 | Descriptor: | Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-27 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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5J0C
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![BU of 5j0c by Molmil](/molmil-images/mine/5j0c) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P2/3 | Descriptor: | Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-28 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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7AMP
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![BU of 7amp by Molmil](/molmil-images/mine/7amp) | Crystal structure of the complex of HuJovi-1 Fab with the human A6 T-cell receptor TRBC1 | Descriptor: | Alpha chain of A6 T-cell receptor, Beta chain 1 of A6 T-cell receptor TRBC1, CHLORIDE ION, ... | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | Deposit date: | 2020-10-09 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies Res Sq, 2022
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7AMQ
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![BU of 7amq by Molmil](/molmil-images/mine/7amq) | Crystal structure of the complex of HuJovi-1 Fab with the human TRBC2 | Descriptor: | CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ... | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | Deposit date: | 2020-10-09 | Release date: | 2022-04-20 | Last modified: | 2022-04-27 | Method: | X-RAY DIFFRACTION (2.353 Å) | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies Res Sq, 2022
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7AMS
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![BU of 7ams by Molmil](/molmil-images/mine/7ams) | Crystal structure of the complex of the KFN mutant of HuJovi-1 Fab with human TRBC2 | Descriptor: | CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ... | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Svensson, A, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | Deposit date: | 2020-10-09 | Release date: | 2022-04-20 | Last modified: | 2022-04-27 | Method: | X-RAY DIFFRACTION (2.419 Å) | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies Res Sq, 2022
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7AMR
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![BU of 7amr by Molmil](/molmil-images/mine/7amr) | Crystal structure of the complex of the KFN mutant of Jovi-1 Fab with human TRBC1 | Descriptor: | CHLORIDE ION, GLYCEROL, Human Jovi-1 Fab fragment, ... | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | Deposit date: | 2020-10-09 | Release date: | 2022-04-20 | Last modified: | 2022-04-27 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies Res Sq, 2022
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6FLH
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![BU of 6flh by Molmil](/molmil-images/mine/6flh) | Monomeric Human Cu,Zn Superoxide dismutase, SOD1 7+7, apo form | Descriptor: | GLYCEROL, SULFATE ION, Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Yang, F, Logan, D, Oliveberg, M. | Deposit date: | 2018-01-25 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The Cost of Long Catalytic Loops in Folding and Stability of the ALS-Associated Protein SOD1. J.Am.Chem.Soc., 140, 2018
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1QQP
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![BU of 1qqp by Molmil](/molmil-images/mine/1qqp) | FOOT-AND-MOUTH DISEASE VIRUS/ OLIGOSACCHARIDE RECEPTOR COMPLEX. | Descriptor: | 2-O-sulfo-alpha-L-gulopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-gulopyranuronic acid, PROTEIN (GENOME POLYPROTEIN) | Authors: | Fry, E.E, Lea, S.M, Jackson, T, Newman, J.W.I, Ellard, F.M, Blakemore, W.E, Abu-Ghazaleh, R, Samuel, A, King, A.M.Q, Stuart, D.I. | Deposit date: | 1999-05-20 | Release date: | 1999-06-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure and function of a foot-and-mouth disease virus-oligosaccharide receptor complex. EMBO J., 18, 1999
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7AMA
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![BU of 7ama by Molmil](/molmil-images/mine/7ama) | IL-17A in complex with small molecule modulators | Descriptor: | Interleukin-17A, ~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide | Authors: | Hakansson, M, Kimbung, R, Logan, D, Walse, U.B, de Groot, M.J, Andrews, M.D, Dack, K.N, Lambert, M. | Deposit date: | 2020-10-08 | Release date: | 2022-04-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of an Oral, Rule of 5 Compliant, Interleukin 17A Protein-Protein Interaction Modulator for the Potential Treatment of Psoriasis and Other Inflammatory Diseases. J.Med.Chem., 65, 2022
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7AMG
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![BU of 7amg by Molmil](/molmil-images/mine/7amg) | IL-17A in complex with small molecule modulators | Descriptor: | (3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid, Interleukin-17A | Authors: | Hakansson, M, Kimbung, R, Logan, D, Walse, U.B, de Groot, M.J, Andrews, M.D, Dack, K.N, Lambert, M. | Deposit date: | 2020-10-08 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Discovery of an Oral, Rule of 5 Compliant, Interleukin 17A Protein-Protein Interaction Modulator for the Potential Treatment of Psoriasis and Other Inflammatory Diseases. J.Med.Chem., 65, 2022
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2PYD
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![BU of 2pyd by Molmil](/molmil-images/mine/2pyd) | The crystal structure of Glycogen phosphorylase in complex with glucose at 100 K | Descriptor: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... | Authors: | Alexacou, K.M, Tiraidis, C, Zographos, S.E, Chrysina, E.D, Hayes, J, Oikonomakos, N.G. | Deposit date: | 2007-05-16 | Release date: | 2008-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystallographic and computational studies on 4-phenyl-N-(beta-D-glucopyranosyl)-1H-1,2,3-triazole-1-acetamide, an inhibitor of glycogen phosphorylase: Comparison with alpha-D-glucose, N-acetyl-beta-D-glucopyranosylamine and N-benzoyl-N'-beta-D-glucopyranosyl urea binding. Proteins, 71, 2007
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