2WTX
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![BU of 2wtx by Molmil](/molmil-images/mine/2wtx) | Insight into the mechanism of enzymatic glycosyltransfer with retention through the synthesis and analysis of bisubstrate glycomimetics of trehalose-6-phosphate synthase | Descriptor: | 1,2-ETHANEDIOL, ALPHA, ALPHA-TREHALOSE-PHOSPHATE SYNTHASE [UDP-FORMING], ... | Authors: | Errey, J.C, Lee, S.S, Gibson, R.P, Martinez-Fleites, C, Barry, C.S, Jung, P.M.J, OSullivan, A, Davis, B.G, Davies, G.J. | Deposit date: | 2009-09-25 | Release date: | 2010-02-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanistic Insight Into Enzymatic Glycosyl Transfer with Retention of Configuration Through Analysis of Glycomimetic Inhibitors. Angew.Chem.Int.Ed.Engl., 49, 2010
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2VN5
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![BU of 2vn5 by Molmil](/molmil-images/mine/2vn5) | The Clostridium cellulolyticum dockerin displays a dual binding mode for its cohesin partner | Descriptor: | CALCIUM ION, ENDOGLUCANASE A, SCAFFOLDING PROTEIN | Authors: | Pinheiro, B.A, Prates, J.A.M, Proctor, M.R, Gilbert, H.J, Davies, G.J, Money, V.A, Martinez-Fleites, C, Bayer, E.A, Fontes, C.M.G.A, Fierobe, H.P. | Deposit date: | 2008-01-31 | Release date: | 2008-05-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Clostridium Cellulolyticum Dockerin Displays a Dual Binding Mode for its Cohesin Partner. J.Biol.Chem., 283, 2008
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2BO8
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![BU of 2bo8 by Molmil](/molmil-images/mine/2bo8) | DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE | Descriptor: | CHLORIDE ION, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'-D-MANNOPYRANOSYL ESTER, ... | Authors: | Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J. | Deposit date: | 2005-04-08 | Release date: | 2005-06-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural dissection and high-throughput screening of mannosylglycerate synthase. Nat. Struct. Mol. Biol., 12, 2005
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4XYC
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![BU of 4xyc by Molmil](/molmil-images/mine/4xyc) | NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES | Descriptor: | 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one, Glutamine synthetase 1 | Authors: | Couturier, C, Silve, S, Morales, R, Ppessegue, B, Llopart, S, Nair, A, Bauer, A, Scheiper, B, poeverlein, c, Ganzhorn, A, Lagrange, S, Bacque, E. | Deposit date: | 2015-02-02 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies. Bioorg.Med.Chem.Lett., 25, 2015
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2BO4
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![BU of 2bo4 by Molmil](/molmil-images/mine/2bo4) | Dissection of mannosylglycerate synthase: an archetypal mannosyltransferase | Descriptor: | CITRATE ANION, MANNOSYLGLYCERATE SYNTHASE | Authors: | Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J. | Deposit date: | 2005-04-07 | Release date: | 2005-06-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Dissection and High-Throughput Screening of Mannosylglyceerate Synthase Nat.Struct.Mol.Biol., 12, 2005
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3GKW
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![BU of 3gkw by Molmil](/molmil-images/mine/3gkw) | Crystal structure of the Fab fragment of Nimotuzumab. An anti-epidermal growth factor receptor antibody | Descriptor: | DI(HYDROXYETHYL)ETHER, Heavy chain of the antibody Nimotuzumab, Light chain of the antibody Nimotuzumab, ... | Authors: | Talavera, A, Friemann, R, Martinez-Fleites, C, Moreno, E, Krengel, U. | Deposit date: | 2009-03-11 | Release date: | 2009-08-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nimotuzumab, an antitumor antibody that targets the epidermal growth factor receptor, blocks ligand binding while permitting the active receptor conformation Cancer Res., 69, 2009
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1A60
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![BU of 1a60 by Molmil](/molmil-images/mine/1a60) | NMR STRUCTURE OF A CLASSICAL PSEUDOKNOT: INTERPLAY OF SINGLE-AND DOUBLE-STRANDED RNA, 24 STRUCTURES | Descriptor: | TYMV PSEUDOKNOT | Authors: | Kolk, M.H, Van Der Graaf, M, Wijmenga, S.S, Pleij, C.W.A, Heus, H.A, Hilbers, C.W. | Deposit date: | 1998-03-04 | Release date: | 1998-05-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of a classical pseudoknot: interplay of single- and double-stranded RNA. Science, 280, 1998
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2BO7
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![BU of 2bo7 by Molmil](/molmil-images/mine/2bo7) | DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE | Descriptor: | COBALT (II) ION, GUANOSINE-5'-DIPHOSPHATE, MANNOSYLGLYCERATE SYNTHASE | Authors: | Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J. | Deposit date: | 2005-04-08 | Release date: | 2005-06-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural dissection and high-throughput screening of mannosylglycerate synthase. Nat. Struct. Mol. Biol., 12, 2005
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2BO6
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![BU of 2bo6 by Molmil](/molmil-images/mine/2bo6) | DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE | Descriptor: | (2R)-2,3-DIHYDROXYPROPANOIC ACID, MANGANESE (II) ION, MANNOSYLGLYCERATE SYNTHASE | Authors: | Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J. | Deposit date: | 2005-04-08 | Release date: | 2005-06-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural Dissection and High-Throughput Screening of Mannosylglyceerate Synthase Nat.Struct.Mol.Biol., 12, 2005
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2IV3
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![BU of 2iv3 by Molmil](/molmil-images/mine/2iv3) | Crystal structure of AviGT4, a glycosyltransferase involved in Avilamycin A biosynthesis | Descriptor: | GLYCEROL, GLYCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | Authors: | Martinez-Fleites, C, Proctor, M, Roberts, S, Bolam, D.N, Gilbert, H.J, Davies, G.J. | Deposit date: | 2006-06-08 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insights Into the Synthesis of Lipopolysaccharide and Antibiotics Through the Structures of Two Retaining Glycosyltransferases from Family Gt4 Chem.Biol., 13, 2006
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2W4X
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![BU of 2w4x by Molmil](/molmil-images/mine/2w4x) | BtGH84 in complex with STZ | Descriptor: | CALCIUM ION, GLYCEROL, O-GLCNACASE BT_4395, ... | Authors: | He, Y, Bubb, A, Martinez-Fleites, C, Davies, G.J. | Deposit date: | 2008-12-02 | Release date: | 2009-02-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural Insight Into the Mechanism of Streptozotocin Inhibition of O-Glcnacase. Carbohydr.Res., 344, 2009
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2VVS
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![BU of 2vvs by Molmil](/molmil-images/mine/2vvs) | BtGH84 structure in complex with PUGNAc | Descriptor: | O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GLCNACASE BT_4395 | Authors: | Macauley, M.S, Bubb, A, Martinez-Fleites, C, Davies, G.J, Vocadlo, D.J. | Deposit date: | 2008-06-11 | Release date: | 2008-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Elevation of Global O-Glcnac Levels in 3T3-L1 Adipocytes by Selective Inhibition of O-Glcnacase Does not Induce Insulin Resistance J.Biol.Chem., 283, 2008
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1UYW
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![BU of 1uyw by Molmil](/molmil-images/mine/1uyw) | Crystal Structure of the antiflavivirus Fab4g2 | Descriptor: | FAB ANTIBODY HEAVY CHAIN, FAB ANTIBODY LIGHT CHAIN | Authors: | Martinez-Fleites, C, Ortiz-Lombardia, M, Taylor, E.J, Gil-Valdes, J, Chinea, G, Davies, G. | Deposit date: | 2004-03-03 | Release date: | 2005-03-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Antiflavivirus Fab4G2 To be Published
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2IW1
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![BU of 2iw1 by Molmil](/molmil-images/mine/2iw1) | Crystal Structure of WaaG, a glycosyltransferase involved in lipopolysaccharide biosynthesis | Descriptor: | LIPOPOLYSACCHARIDE CORE BIOSYNTHESIS PROTEIN RFAG, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE | Authors: | Martinez-Fleites, C, Proctor, M, Roberts, S, Bolam, D.N, Gilbert, H.J, Davies, G.J. | Deposit date: | 2006-06-23 | Release date: | 2006-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Insights Into the Synthesis of Lipopolysaccharide and Antibiotics Through the Structures of Two Retaining Glycosyltransferases from Family Gt4 Chem.Biol., 13, 2006
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6S5A
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![BU of 6s5a by Molmil](/molmil-images/mine/6s5a) | CRYSTAL STRUCTURE OF FC P329G LALA WITH ANTI FC P329G FAB | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc P329G LALA, ... | Authors: | Ehler, A, Darowski, D, Jost, C, Stubenrauch, K, Wessels, U, Benz, J, Birk, M, Freimoser-Grundschober, A, Bruenker, P, Moessner, E, Umana, P, Kobold, S, Klein, C. | Deposit date: | 2019-07-01 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | P329G-CAR-J: a novel Jurkat-NFAT-based CAR-T reporter system recognizing the P329G Fc mutation. Protein Eng.Des.Sel., 32, 2019
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2IYA
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![BU of 2iya by Molmil](/molmil-images/mine/2iya) | The crystal structure of macrolide glycosyltransferases: A blueprint for antibiotic engineering | Descriptor: | (3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE, OLEANDOMYCIN GLYCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | Authors: | Bolam, D.N, Roberts, S.M, Proctor, M.R, Turkenburg, J.P, Dodson, E.J, Martinez-Fleites, C, Yang, M, Davis, B.G, Davies, G.J, Gilbert, H.J. | Deposit date: | 2006-07-13 | Release date: | 2007-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of Two Macrolide Glycosyltransferases Provides a Blueprint for Host Cell Antibiotic Immunity. Proc.Natl.Acad.Sci.USA, 104, 2007
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2IYF
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![BU of 2iyf by Molmil](/molmil-images/mine/2iyf) | The crystal structure of macrolide glycosyltransferases: A blueprint for antibiotic engineering | Descriptor: | ERYTHROMYCIN A, MAGNESIUM ION, OLEANDOMYCIN GLYCOSYLTRANSFERASE, ... | Authors: | Bolam, D.N, Roberts, S.M, Proctor, M.R, Turkenburg, J.P, Dodson, E.J, Martinez-Fleites, C, Yang, M, Davis, B.G, Davies, G.J, Gilbert, H.J. | Deposit date: | 2006-07-17 | Release date: | 2007-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of Two Macrolide Glycosyltransferases Provides a Blueprint for Host Cell Antibiotic Immunity. Proc.Natl.Acad.Sci.USA, 104, 2007
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2IUY
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![BU of 2iuy by Molmil](/molmil-images/mine/2iuy) | Crystal structure of AviGT4, a glycosyltransferase involved in Avilamycin A biosynthesis | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCOSYLTRANSFERASE, SULFATE ION | Authors: | Martinez-Fleites, C, Proctor, M, Roberts, S, Bolam, D.N, Gilbert, H.J, Davies, G.J. | Deposit date: | 2006-06-08 | Release date: | 2006-10-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights Into the Synthesis of Lipopolysaccharide and Antibiotics Through the Structures of Two Retaining Glycosyltransferases from Family Gt4 Chem.Biol., 13, 2006
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2IV7
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![BU of 2iv7 by Molmil](/molmil-images/mine/2iv7) | Crystal Structure of WaaG, a glycosyltransferase involved in lipopolysaccharide biosynthesis | Descriptor: | LIPOPOLYSACCHARIDE CORE BIOSYNTHESIS PROTEIN RFAG, URIDINE-5'-DIPHOSPHATE | Authors: | Martinez-Fleites, C, Proctor, M, Roberts, S, Bolam, D.N, Gilbert, H.J, Davies, G.J. | Deposit date: | 2006-06-08 | Release date: | 2006-10-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights Into the Synthesis of Lipopolysaccharide and Antibiotics Through the Structures of Two Retaining Glycosyltransferases from Family Gt4 Chem.Biol., 13, 2006
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2WAG
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![BU of 2wag by Molmil](/molmil-images/mine/2wag) | The Structure of a family 25 Glycosyl hydrolase from Bacillus anthracis. | Descriptor: | GLYCEROL, LYSOZYME, PUTATIVE, ... | Authors: | Martinez-Fleites, C, Korczynska, J.E, Cope, M, Turkenburg, J.P, Taylor, E.J. | Deposit date: | 2009-02-06 | Release date: | 2009-06-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Crystal Structure of a Family Gh25 Lysozyme from Bacillus Anthracis Implies a Neighboring-Group Catalytic Mechanism with Retention of Anomeric Configuration Carbohydr.Res., 344, 2009
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4LI5
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![BU of 4li5 by Molmil](/molmil-images/mine/4li5) | EGFR-K IN COMPLEX WITH N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxy-phenyl] Prop-2-enamide | Descriptor: | Epidermal growth factor receptor, N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide, SODIUM ION | Authors: | Debreczeni, J.E, Seiffert, G.B, Kiefersauer, R, Augustin, M, Nagel, S, Ward, R, Anderton, M, Ashton, S, Bethel, P, Box, M, Butterworth, S, Colclough, N, Chroley, C, Chuaqui, C, Cross, D, Eberlein, C, Finlay, R, Hill, G, Grist, M, Klinowska, T, Lane, C, Martin, S, Orme, J, Smith, P, Wang, F, Waring, M. | Deposit date: | 2013-07-02 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structure- and Reactivity-Based Development of Covalent Inhibitors of the Activating and Gatekeeper Mutant Forms of the Epidermal Growth Factor Receptor (EGFR). J.Med.Chem., 56, 2013
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3ZQJ
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![BU of 3zqj by Molmil](/molmil-images/mine/3zqj) | Mycobacterium tuberculosis UvrA | Descriptor: | UVRABC SYSTEM PROTEIN A, ZINC ION | Authors: | Rossi, F, Khanduja, J.S, Bortoluzzi, A, Houghton, J, Sander, P, Guthlein, C, Davis, E.O, Springer, B, Bottger, E.C, Relini, A, Penco, A, Muniyappa, K, Rizzi, M. | Deposit date: | 2011-06-09 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | The Biological and Structural Characterization of Mycobacterium Tuberculosis Uvra Provides Novel Insights Into its Mechanism of Action Nucleic Acids Res., 39, 2011
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4PNC
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![BU of 4pnc by Molmil](/molmil-images/mine/4pnc) | E. COLI METHIONINE AMINOPEPTIDASE IN COMPLEX WITH INHIBITOR 7-METHOXY-2-METHYLEN-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE | Descriptor: | (2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one, COBALT (II) ION, Methionine aminopeptidase, ... | Authors: | Scheidig, A.J, Altmeyer, M, Klein, C.D. | Deposit date: | 2014-05-23 | Release date: | 2014-07-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Beta-aminoketones as prodrugs for selective irreversible inhibitors of type-1 methionine aminopeptidases. Bioorg.Med.Chem.Lett., 24, 2014
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4MC9
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![BU of 4mc9 by Molmil](/molmil-images/mine/4mc9) | HIV protease in complex with AA74 | Descriptor: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | Deposit date: | 2013-08-21 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis Tetrahedron, 2014
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4MC1
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![BU of 4mc1 by Molmil](/molmil-images/mine/4mc1) | HIV protease in complex with SA526P | Descriptor: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | Deposit date: | 2013-08-21 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis Tetrahedron, 2014
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