1WBK
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4AV4
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![BU of 4av4 by Molmil](/molmil-images/mine/4av4) | FimH lectin domain co-crystal with a alpha-D-mannoside O-linked to a propynyl pyridine | Descriptor: | 3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannopyranoside, FIMH | Authors: | Bouckaert, J, Touaibia, M, Roos, G, Shiao, T.C, Wang, Q, Papadopoulos, A, Roy, R. | Deposit date: | 2012-05-23 | Release date: | 2012-06-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Tyrosine Gate as a Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin Fimh. Biochemistry, 51, 2012
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4OGY
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![BU of 4ogy by Molmil](/molmil-images/mine/4ogy) | Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.1 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, ... | Authors: | Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R. | Deposit date: | 2014-01-16 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of plasma kallikrein by a highly specific active site blocking antibody. J.Biol.Chem., 289, 2014
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4CL9
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![BU of 4cl9 by Molmil](/molmil-images/mine/4cl9) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET295 | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate | Authors: | Chung, C, Atkinson, S. | Deposit date: | 2014-01-13 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Structure Based Design of Dual Hdac/Bet Inhibitors as Novel Epigenetic Probes. Medchemcomm, 5, 2014
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4CLB
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![BU of 4clb by Molmil](/molmil-images/mine/4clb) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH IBET-295 | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, propan-2-yl N-[(2S,4R)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate | Authors: | Chung, C, Atkinson, S. | Deposit date: | 2014-01-13 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Structure Based Design of Dual Hdac/Bet Inhibitors as Novel Epigenetic Probes. Medchemcomm, 5, 2014
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2GX6
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1GFW
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4RE9
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![BU of 4re9 by Molmil](/molmil-images/mine/4re9) | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 71290 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-5-yl}methyl)benzamide, ... | Authors: | Liang, W.G, Deprez, R, Deprez, B, Tang, W.J. | Deposit date: | 2014-09-22 | Release date: | 2015-09-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.908 Å) | Cite: | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice. Nat Commun, 6, 2015
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2M8O
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![BU of 2m8o by Molmil](/molmil-images/mine/2m8o) | NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in DPC | Descriptor: | Transmembrane protein gp41 | Authors: | Serrano, S, Huarte, N, Nieva, J.L, Jimenez, M. | Deposit date: | 2013-05-23 | Release date: | 2014-01-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and Immunogenicity of a Peptide Vaccine, Including the Complete HIV-1 gp41 2F5 Epitope: IMPLICATIONS FOR ANTIBODY RECOGNITION MECHANISM AND IMMUNOGEN DESIGN. J.Biol.Chem., 289, 2014
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2J5Y
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![BU of 2j5y by Molmil](/molmil-images/mine/2j5y) | Crystal structure of the GA module from F.magna | Descriptor: | PEPTOSTREPTOCOCCAL ALBUMIN-BINDING PROTEIN | Authors: | Lejon, S, Cramer, J.F, Nordberg, P.A, Lundqvist, T, Valegard, K. | Deposit date: | 2006-09-20 | Release date: | 2007-06-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of a Bacterial Albumin-Binding Domain at 1.4A Resolution. FEBS Lett., 581, 2007
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2F6L
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![BU of 2f6l by Molmil](/molmil-images/mine/2f6l) | X-ray structure of Chorismate Mutase from Mycobacterium Tuberculosis | Descriptor: | Chorismate mutase | Authors: | Kim, S.K, Howard, A.J, Gilliland, G.L, Reddy, P.T, Ladner, J.E. | Deposit date: | 2005-11-29 | Release date: | 2005-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biochemical and structural characterization of the secreted chorismate mutase (Rv1885c) from Mycobacterium tuberculosis H37Rv: an *AroQ enzyme not regulated by the aromatic amino acids. J.Bacteriol., 188, 2006
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2M8M
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![BU of 2m8m by Molmil](/molmil-images/mine/2m8m) | NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in the presence of hexafluoroisopropanol | Descriptor: | Transmembrane protein gp41 | Authors: | Serrano, S, Huarte, N, Nieva, J.L, Jimenez, M. | Deposit date: | 2013-05-23 | Release date: | 2014-01-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and Immunogenicity of a Peptide Vaccine, Including the Complete HIV-1 gp41 2F5 Epitope: IMPLICATIONS FOR ANTIBODY RECOGNITION MECHANISM AND IMMUNOGEN DESIGN. J.Biol.Chem., 289, 2014
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1EAS
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![BU of 1eas by Molmil](/molmil-images/mine/1eas) | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 3. DESIGN, SYNTHESIS, X-RAY CRYSTALLOGRAPHIC ANALYSIS, AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR A SERIES OF ORALLY ACTIVE 3-AMINO-6-PHENYLPYRIDIN-2-ONE TRIFLUOROMETHYL KETONES | Descriptor: | 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | Authors: | Ceccarelli, C. | Deposit date: | 1994-11-22 | Release date: | 1995-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 3. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of orally active 3-amino-6-phenylpyridin-2-one trifluoromethyl ketones. J.Med.Chem., 37, 1994
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2KP8
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![BU of 2kp8 by Molmil](/molmil-images/mine/2kp8) | Ligand bound to a model peptide that mimics the open fusogenic form | Descriptor: | 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid, Model peptide | Authors: | Olejniczak, E.T. | Deposit date: | 2009-10-09 | Release date: | 2010-01-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Non-peptide entry inhibitors of HIV-1 that target the gp41 coiled coil pocket. Bioorg.Med.Chem.Lett., 20, 2010
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2KW8
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2QWS
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5UGH
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![BU of 5ugh by Molmil](/molmil-images/mine/5ugh) | Crystal structure of Mat2a bound to the allosteric inhibitor PF-02929366 | Descriptor: | 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine, S-adenosylmethionine synthase isoform type-2 | Authors: | Kaiser, S.E, Feng, J, Stewart, A.E. | Deposit date: | 2017-01-08 | Release date: | 2017-05-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.062 Å) | Cite: | Targeting S-adenosylmethionine biosynthesis with a novel allosteric inhibitor of Mat2A. Nat. Chem. Biol., 13, 2017
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2BS5
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![BU of 2bs5 by Molmil](/molmil-images/mine/2bs5) | LECTIN FROM RALSTONIA SOLANACEARUM COMPLEXED WITH 2-FUCOSYLLACTOSE | Descriptor: | CHLORIDE ION, FUCOSE-BINDING LECTIN PROTEIN, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Mitchell, E.P, Kostlanova, N, Wimmerova, M, Imberty, A. | Deposit date: | 2005-05-18 | Release date: | 2005-05-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Fucose-Binding Lectin from Ralstonia Solanacearum: A New Type of {Beta}-Propeller Architecture Formed by Oligomerization and Interacting with Fucoside, Fucosyllactose, and Plant Xyloglucan. J.Biol.Chem., 280, 2005
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2BT9
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![BU of 2bt9 by Molmil](/molmil-images/mine/2bt9) | Lectin from Ralstonia solanacearum complexed with Me-fucoside | Descriptor: | LECTIN, methyl alpha-L-fucopyranoside | Authors: | Mitchell, E.P, Kostlanova, N, Wimmerova, M, Imberty, A. | Deposit date: | 2005-05-27 | Release date: | 2005-06-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | The fucose-binding lectin from Ralstonia solanacearum. A new type of beta-propeller architecture formed by oligomerization and interacting with fucoside, fucosyllactose, and plant xyloglucan. J. Biol. Chem., 280, 2005
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2BS6
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![BU of 2bs6 by Molmil](/molmil-images/mine/2bs6) | LECTIN FROM RALSTONIA SOLANACEARUM COMPLEXED WITH XYLOGLUCAN FRAGMENT | Descriptor: | GLYCEROL, LECTIN, alpha-L-fucopyranose, ... | Authors: | Mitchell, E.P, Kostlanova, N, Wimmerova, M, Imberty, A. | Deposit date: | 2005-05-18 | Release date: | 2005-05-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The fucose-binding lectin from Ralstonia solanacearum. A new type of beta-propeller architecture formed by oligomerization and interacting with fucoside, fucosyllactose, and plant xyloglucan. J. Biol. Chem., 280, 2005
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2VCO
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![BU of 2vco by Molmil](/molmil-images/mine/2vco) | Crystal structure of the fimbrial adhesin FimH in complex with its high-mannose epitope | Descriptor: | NICKEL (II) ION, PROTEIN FIMH, SULFATE ION, ... | Authors: | Wellens, A, Garofalo, C, Nguyen, H, Wyns, L, De Greve, H, Hultgren, S.J, Bouckaert, J. | Deposit date: | 2007-09-26 | Release date: | 2008-05-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Intervening with Urinary Tract Infections Using Anti-Adhesives Based on the Crystal Structure of the Fimh-Oligomannose-3 Complex. Plos One, 3, 2008
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3ZIX
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![BU of 3zix by Molmil](/molmil-images/mine/3zix) | Clostridium perfringens Enterotoxin with the N-terminal 37 residues deleted | Descriptor: | HEAT-LABILE ENTEROTOXIN B CHAIN, HEXAETHYLENE GLYCOL | Authors: | Yelland, T, Naylor, C.E, Savva, C.G, Basak, A.K. | Deposit date: | 2013-01-14 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a C. Perfringens Enterotoxin Mutant in Complex with a Modified Claudin-2 Extracellular Loop 2 J.Mol.Biol., 426, 2014
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1M8T
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![BU of 1m8t by Molmil](/molmil-images/mine/1m8t) | Structure of an acidic Phospholipase A2 from the venom of Ophiophagus hannah at 2.1 resolution from a hemihedrally twinned crystal form | Descriptor: | CALCIUM ION, HEXANE-1,6-DIOL, Phospholipase a2 | Authors: | Xu, S, Gu, L, Wang, Q, Shu, Y, Lin, Z. | Deposit date: | 2002-07-26 | Release date: | 2003-09-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a king cobra phospholipase A2 determined from a hemihedrally twinned crystal. Acta Crystallogr.,Sect.D, 59, 2003
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4OHU
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![BU of 4ohu by Molmil](/molmil-images/mine/4ohu) | Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT92 | Descriptor: | 2-(2-bromophenoxy)-5-hexylphenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Yu, W, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-01-18 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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4P5H
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