2QFA
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![BU of 2qfa by Molmil](/molmil-images/mine/2qfa) | Crystal structure of a Survivin-Borealin-INCENP core complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Baculoviral IAP repeat-containing protein 5, Borealin, ... | Authors: | Jeyaprakash, A.A, Klein, U.R, Lindner, D, Ebert, J, Nigg, E.A, Conti, E. | Deposit date: | 2007-06-27 | Release date: | 2007-11-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of a Survivin-Borealin-INCENP Core Complex Reveals How Chromosomal Passengers Travel Together. Cell(Cambridge,Mass.), 131, 2007
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2QW9
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![BU of 2qw9 by Molmil](/molmil-images/mine/2qw9) | Crystal structure of bovine hsc70 (1-394aa)in the apo state | Descriptor: | GLYCEROL, Heat shock cognate 71 kDa protein | Authors: | Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R. | Deposit date: | 2007-08-10 | Release date: | 2007-12-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of J cochaperone binding and regulation of Hsp70. Mol.Cell, 28, 2007
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2A8Y
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![BU of 2a8y by Molmil](/molmil-images/mine/2a8y) | Crystal structure of 5'-deoxy-5'methylthioadenosine phosphorylase complexed with 5'-deoxy-5'methylthioadenosine and sulfate | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5'-methylthioadenosine phosphorylase (mtaP), SULFATE ION | Authors: | Zhang, Y, Porcelli, M, Cacciapuoti, G, Ealick, S.E. | Deposit date: | 2005-07-10 | Release date: | 2006-03-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The crystal structure of 5'-deoxy-5'-methylthioadenosine phosphorylase II from Sulfolobus solfataricus, a thermophilic enzyme stabilized by intramolecular disulfide bonds. J.Mol.Biol., 357, 2006
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2OVV
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![BU of 2ovv by Molmil](/molmil-images/mine/2ovv) | Crystal structure of the catalytic domain of rat phosphodiesterase 10A | Descriptor: | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE, MAGNESIUM ION, Phosphodiesterase-10A, ... | Authors: | Pandit, J, Marr, E.S. | Deposit date: | 2007-02-15 | Release date: | 2007-03-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a series of 6,7-dimethoxy-4-pyrrolidylquinazoline PDE10A inhibitors J.Med.Chem., 50, 2007
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1HGD
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![BU of 1hgd by Molmil](/molmil-images/mine/1hgd) | BINDING OF INFLUENZA VIRUS HEMAGGLUTININ TO ANALOGS OF ITS CELL-SURFACE RECEPTOR, SIALIC ACID: ANALYSIS BY PROTON NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND X-RAY CRYSTALLOGRAPHY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, CHAIN HA1, ... | Authors: | Sauter, N.K, Hanson, J.E, Glick, G.D, Brown, J.H, Crowther, R.L, Park, S.-J, Skehel, J.J, Wiley, D.C. | Deposit date: | 1991-11-01 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Binding of influenza virus hemagglutinin to analogs of its cell-surface receptor, sialic acid: analysis by proton nuclear magnetic resonance spectroscopy and X-ray crystallography. Biochemistry, 31, 1992
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2OOH
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![BU of 2ooh by Molmil](/molmil-images/mine/2ooh) | Crystal Structure of MIF bound to a Novel Inhibitor, OXIM-11 | Descriptor: | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME, GLYCEROL, Macrophage migration inhibitory factor, ... | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | Deposit date: | 2007-01-25 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor. J.Biol.Chem., 282, 2007
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2GJ6
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![BU of 2gj6 by Molmil](/molmil-images/mine/2gj6) | |
2QWN
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![BU of 2qwn by Molmil](/molmil-images/mine/2qwn) | Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-386aa)R171C and bovine Auxilin (810-910aa)D876C in the ADP*Pi state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat shock cognate 71 kDa protein, MAGNESIUM ION, ... | Authors: | Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R. | Deposit date: | 2007-08-10 | Release date: | 2007-12-18 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of J cochaperone binding and regulation of Hsp70. Mol.Cell, 28, 2007
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4CTM
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![BU of 4ctm by Molmil](/molmil-images/mine/4ctm) | Glucopyranosylidene-spiro-iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetic and Crystallographic Methods | Descriptor: | (5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one, GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, ... | Authors: | Alexacou, K.M, Papakonstantinou, M, Leonidas, D.D, Zographos, S.E, Chrysina, E.D. | Deposit date: | 2014-03-15 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Glucopyranosylidene-Spiro-Iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation for Inhibition of Glycogen Phosphorylase by Enzyme Kinetic and Crystallographic Methods. Bioorg.Med.Chem., 22, 2014
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4MXA
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![BU of 4mxa by Molmil](/molmil-images/mine/4mxa) | CDPK1 from Neospora caninum in complex with inhibitor RM-1-132 | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related | Authors: | Merritt, E.A. | Deposit date: | 2013-09-26 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
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5R4J
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![BU of 5r4j by Molmil](/molmil-images/mine/5r4j) | PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000280a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, DIMETHYL SULFOXIDE, ... | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2020-02-24 | Release date: | 2020-04-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | PanDDA analysis group deposition To Be Published
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3TAG
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![BU of 3tag by Molmil](/molmil-images/mine/3tag) | 5-fluorocytosine paired with dAMP in RB69 gp43 | Descriptor: | DNA (5'-D(*CP*CP*(C37)P*GP*GP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*CP*CP*A)-3'), DNA-directed DNA polymerase, ... | Authors: | Zahn, K.E. | Deposit date: | 2011-08-04 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The miscoding potential of 5-hydroxycytosine arises due to template instability in the replicative polymerase active site. Biochemistry, 50, 2011
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4CTO
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![BU of 4cto by Molmil](/molmil-images/mine/4cto) | Glucopyranosylidene-spiro-iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetic and Crystallographic Methods | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide, ... | Authors: | Alexacou, K.M, Papakonstantinou, M, Leonidas, D.D, Zographos, S.E, Chrysina, E.D. | Deposit date: | 2014-03-15 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Glucopyranosylidene-Spiro-Iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation for Inhibition of Glycogen Phosphorylase by Enzyme Kinetic and Crystallographic Methods. Bioorg.Med.Chem., 22, 2014
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4HHE
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![BU of 4hhe by Molmil](/molmil-images/mine/4hhe) | Quinolinate synthase from Pyrococcus furiosus | Descriptor: | CHLORIDE ION, Quinolinate synthase A | Authors: | Soriano, E.V, Zhang, Y, Settembre, E.C, Colabroy, K, Sanders, J.M, Dorrestein, P.C, Begley, T.P, Ealick, S.E. | Deposit date: | 2012-10-09 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | Active-site models for complexes of quinolinate synthase with substrates and intermediates. Acta Crystallogr.,Sect.D, 69, 2013
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2QSP
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![BU of 2qsp by Molmil](/molmil-images/mine/2qsp) | Bovine Hemoglobin at pH 5.7 | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Aranda IV, R, Richards, M.P, Phillips Jr, G.N. | Deposit date: | 2007-07-31 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss. Proteins, 75, 2008
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4CZZ
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![BU of 4czz by Molmil](/molmil-images/mine/4czz) | Histone demethylase LSD1(KDM1A)-CoREST3 Complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 3 | Authors: | Barrios, A.P, Gomez, A.V, Saez, J.E, Ciossani, G, Toffolo, E, Battaglioli, E, Mattevi, A, Andres, M.E. | Deposit date: | 2014-04-23 | Release date: | 2014-06-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Differential Properties of Transcriptional Complexes Formed by the Corest Family. Mol.Cell.Biol., 34, 2014
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1J70
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![BU of 1j70 by Molmil](/molmil-images/mine/1j70) | CRYSTAL STRUCTURE OF YEAST ATP SULFURYLASE | Descriptor: | ATP SULPHURYLASE, PHOSPHATE ION, SODIUM ION | Authors: | Lalor, D.J, Schnyder, T, Saridakis, V, Pilloff, D.E, Dong, A, Tang, H, Leyh, T.S, Pai, E.F. | Deposit date: | 2001-05-15 | Release date: | 2003-06-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional analysis of a truncated form of Saccharomyces cerevisiae ATP sulfurylase: C-terminal domain essential for oligomer formation but not for activity. Protein Eng., 16, 2003
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1STB
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![BU of 1stb by Molmil](/molmil-images/mine/1stb) | ACCOMMODATION OF INSERTION MUTATIONS ON THE SURFACE AND IN THE INTERIOR OF STAPHYLOCOCCAL NUCLEASE | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Quirk, S, Gittis, A, Keefe, L.J, Lattman, E.E. | Deposit date: | 1994-01-17 | Release date: | 1994-07-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Accommodation of insertion mutations on the surface and in the interior of staphylococcal nuclease. Protein Sci., 3, 1994
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2XRF
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![BU of 2xrf by Molmil](/molmil-images/mine/2xrf) | Crystal structure of human uridine phosphorylase 2 | Descriptor: | GLYCEROL, MAGNESIUM ION, URACIL, ... | Authors: | Welin, M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P. | Deposit date: | 2010-09-14 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Human Uridine Phosphorylase 2 To be Published
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2XQK
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![BU of 2xqk by Molmil](/molmil-images/mine/2xqk) | X-ray Structure of human butyrylcholinesterase inhibited by pure enantiomer VX-(S) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F. | Deposit date: | 2010-09-02 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents. J.Biol.Chem., 286, 2011
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1ZHM
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![BU of 1zhm by Molmil](/molmil-images/mine/1zhm) | Crystal Structure of the Catalytic Domain of the Coagulation Factor XIa in Complex with Benzamidine (S434A-T475A-K437 Mutant) | Descriptor: | BENZAMIDINE, GLUTATHIONE, coagulation factor XI | Authors: | Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | Deposit date: | 2005-04-26 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors. Acta Crystallogr.,Sect.D, 61, 2005
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1SX3
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![BU of 1sx3 by Molmil](/molmil-images/mine/1sx3) | GroEL14-(ATPgammaS)14 | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Chaudhry, C, Horwich, A.L, Brunger, A.T, Adams, P.D. | Deposit date: | 2004-03-30 | Release date: | 2005-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploring the structural dynamics of the E.coli chaperonin GroEL using translation-libration-screw crystallographic refinement of intermediate states. J.Mol.Biol., 342, 2004
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5R4M
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![BU of 5r4m by Molmil](/molmil-images/mine/5r4m) | PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000513a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE, ... | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2020-02-24 | Release date: | 2020-04-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | PanDDA analysis group deposition To Be Published
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4CTN
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![BU of 4ctn by Molmil](/molmil-images/mine/4ctn) | Glucopyranosylidene-spiro-iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetic and Crystallographic Methods | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DIMETHYL SULFOXIDE, GLYCOGEN PHOSPHORYLASE, ... | Authors: | Alexacou, K.M, Papakonstantinou, M, Leonidas, D.D, Zographos, S.E, Chrysina, E.D. | Deposit date: | 2014-03-15 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Glucopyranosylidene-Spiro-Iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation for Inhibition of Glycogen Phosphorylase by Enzyme Kinetic and Crystallographic Methods. Bioorg.Med.Chem., 22, 2014
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2XQF
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![BU of 2xqf by Molmil](/molmil-images/mine/2xqf) | X-ray Structure of human butyrylcholinesterase inhibited by racemic VX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F. | Deposit date: | 2010-09-02 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents. J.Biol.Chem., 286, 2011
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