5D45
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![BU of 5d45 by Molmil](/molmil-images/mine/5d45) | Crystal Structure of FABP4 in complex with 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid | Descriptor: | 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid, Fatty acid-binding protein, adipocyte | Authors: | Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T. | Deposit date: | 2015-08-07 | Release date: | 2016-06-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis Acs Med.Chem.Lett., 7, 2016
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3GCB
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![BU of 3gcb by Molmil](/molmil-images/mine/3gcb) | GAL6 (YEAST BLEOMYCIN HYDROLASE) MUTANT C73A/DELTAK454 | Descriptor: | GAL6, GLYCEROL, SULFATE ION | Authors: | Joshua-Tor, L, Zheng, W, Johnston, S.A. | Deposit date: | 1998-02-27 | Release date: | 1998-10-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The unusual active site of Gal6/bleomycin hydrolase can act as a carboxypeptidase, aminopeptidase, and peptide ligase. Cell(Cambridge,Mass.), 93, 1998
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1QR8
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![BU of 1qr8 by Molmil](/molmil-images/mine/1qr8) | INHIBITION OF HIV-1 INFECTIVITY BY THE GP41 CORE: ROLE OF A CONSERVED HYDROPHOBIC CAVITY IN MEMBRANE FUSION | Descriptor: | GP41 ENVELOPE PROTEIN | Authors: | Ji, H, Shu, W, Burling, F.T, Jiang, S.B, Lu, M. | Deposit date: | 1999-06-18 | Release date: | 1999-11-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of human immunodeficiency virus type 1 infectivity by the gp41 core: role of a conserved hydrophobic cavity in membrane fusion. J.Virol., 73, 1999
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2KX2
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3G42
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![BU of 3g42 by Molmil](/molmil-images/mine/3g42) | Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor | Descriptor: | ADAM 17, N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan, ZINC ION | Authors: | Xu, W, Park, K, Gopalsamy, A, Aplasca, A, Zhang, Y.H, Levin, J.I. | Deposit date: | 2009-02-03 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem., 17, 2009
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5D8W
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![BU of 5d8w by Molmil](/molmil-images/mine/5d8w) | Structrue of a lucidum protein | Descriptor: | Endoglucanase | Authors: | Guo, R, Li, Q, Shang, N, Liu, G, Ko, T.P, Chen, C.C, Liu, W. | Deposit date: | 2015-08-18 | Release date: | 2016-06-29 | Last modified: | 2018-05-23 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Functional and structural analyses of a 1,4-beta-endoglucanase from Ganoderma lucidum. Enzyme.Microb.Technol., 86, 2016
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1Q6T
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![BU of 1q6t by Molmil](/molmil-images/mine/1q6t) | THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 11 | Descriptor: | 6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-[(1S)-1-METHOXY-3-METHYLBUTYL]QUINOLIN-8-YLPHOSPHONIC ACID, MAGNESIUM ION, Protein-tyrosine phosphatase, ... | Authors: | Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E. | Deposit date: | 2003-08-13 | Release date: | 2003-09-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B Biochemistry, 42, 2003
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2KGT
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5DFY
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1NY1
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![BU of 1ny1 by Molmil](/molmil-images/mine/1ny1) | CRYSTAL STRUCTURE OF B. SUBTILIS POLYSACCHARIDE DEACETYLASE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR127. | Descriptor: | Probable polysaccharide deacetylase pdaA | Authors: | Forouhar, F, Edstrom, W, Khan, J, Ma, L, Chiang, Y, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-02-11 | Release date: | 2003-03-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Polysaccharide Deacetylase (PDAA_BACSU) from B. Subtilis (Pdaa_Bacsu) Northeast Structural Genomics Research Consortium (Nesg) Target Sr127 To be Published
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2H52
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2GQ5
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![BU of 2gq5 by Molmil](/molmil-images/mine/2gq5) | Crystal structure of an RNA racemate | Descriptor: | CALCIUM ION, GLYCEROL, RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), ... | Authors: | Rypniewski, W, Vallazza, M, Perbandt, M, Klussmann, S, Betzel, C, Erdmann, V.A. | Deposit date: | 2006-04-20 | Release date: | 2006-06-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The first crystal structure of an RNA racemate. Acta Crystallogr.,Sect.D, 62, 2006
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3GF7
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![BU of 3gf7 by Molmil](/molmil-images/mine/3gf7) | Glutaconyl-coA decarboxylase A subunit from Clostridium symbiosum apoprotein | Descriptor: | Glutaconyl-CoA decarboxylase subunit A, SULFATE ION | Authors: | Kress, D, Brugel, D, Buckel, W, Essen, L.-O. | Deposit date: | 2009-02-26 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An asymmetric model for Na+-translocating glutaconyl-CoA decarboxylases J.Biol.Chem., 284, 2009
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2PP0
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![BU of 2pp0 by Molmil](/molmil-images/mine/2pp0) | Crystal structure of L-talarate/galactarate dehydratase from Salmonella typhimurium LT2 | Descriptor: | GLYCEROL, L-talarate/Galactarate Dehydratase | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C. | Deposit date: | 2007-04-27 | Release date: | 2007-08-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: L-talarate/galactarate dehydratase from Salmonella typhimurium LT2. Biochemistry, 46, 2007
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1NPA
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![BU of 1npa by Molmil](/molmil-images/mine/1npa) | crystal structure of HIV-1 protease-hup | Descriptor: | (3S)-TETRAHYDROFURAN-3-YL (1R,2S)-3-[4-((1R)-2-{[(S)-AMINO(HYDROXY)METHYL]OXY}-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXOPYRROLIDIN-2-YL]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, POL polyprotein | Authors: | Smith III, A.B, Hirschmann, R, Pasternak, A, Yao, W, Sprengeler, P.A, Holloway, M.K, Kuo, L.C, Chen, Z, Darke, P.L, Schleif, W.A. | Deposit date: | 2003-01-17 | Release date: | 2004-01-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An orally bioavailable pyrrolinone inhibitor of HIV-1 protease: computational analysis and X-ray crystal structure of the enzyme complex. J.MED.CHEM., 40, 1997
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4AEL
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![BU of 4ael by Molmil](/molmil-images/mine/4ael) | PDE10A in complex with the inhibitor AZ5 | Descriptor: | 2-(2'-ETHOXYBIPHENYL-4-YL)-4-HYDROXY-1,6-NAPHTHYRIDINE-3-CARBONITRILE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | Authors: | Bauer, U, Giordanetto, F, Bauer, M, OMahony, G, Johansson, K.E, Knecht, W, Hartleib-Geschwindner, J, Toppner Carlsson, E, Enroth, C, Sjogren, T. | Deposit date: | 2012-01-11 | Release date: | 2012-01-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of 4-Hydroxy-1,6-Naphthyridine-3-Carbonitrile Derivatives as Novel Pde10A Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4ZSD
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![BU of 4zsd by Molmil](/molmil-images/mine/4zsd) | Human Cyclophilin D Complexed with an Inhibitor at room temperature | Descriptor: | 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F. | Deposit date: | 2015-05-13 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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2GUZ
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![BU of 2guz by Molmil](/molmil-images/mine/2guz) | Structure of the Tim14-Tim16 complex of the mitochondrial protein import motor | Descriptor: | CITRATE ANION, Mitochondrial import inner membrane translocase subunit TIM14, Mitochondrial import inner membrane translocase subunit TIM16 | Authors: | Mokranjac, D, Bourenkov, G, Hell, K, Neupert, W, Groll, M. | Deposit date: | 2006-05-02 | Release date: | 2006-10-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and function of Tim14 and Tim16, the J and J-like components of the mitochondrial protein import motor. Embo J., 25, 2006
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4ADM
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![BU of 4adm by Molmil](/molmil-images/mine/4adm) | Crystal structure of Rv1098c in complex with meso-tartrate | Descriptor: | FUMARATE HYDRATASE CLASS II, GLYCEROL, S,R MESO-TARTARIC ACID | Authors: | Mechaly, A.E, Haouz, A, Miras, I, Weber, P, Shepard, W, Cole, S, Alzari, P.M, Bellinzoni, M. | Deposit date: | 2011-12-27 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Conformational Changes Upon Ligand Binding in the Essential Class II Fumarase Rv1098C from Mycobacterium Tuberculosis. FEBS Lett., 586, 2012
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2H16
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![BU of 2h16 by Molmil](/molmil-images/mine/2h16) | Structure of human ADP-ribosylation factor-like 5 (ARL5) | Descriptor: | ADP-ribosylation factor-like protein 5A, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION | Authors: | Rabeh, W.M, Tempel, W, Yaniw, D, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2006-05-16 | Release date: | 2006-06-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of human ADP-ribosylation factor-like 5 (ARL5) To be Published
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2H3C
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![BU of 2h3c by Molmil](/molmil-images/mine/2h3c) | Structural basis for nucleic acid and toxin recognition of the bacterial antitoxin CcdA | Descriptor: | 5'-D(P*AP*TP*AP*TP*GP*TP*AP*TP*AP*CP*CP*CP*G)-3', 5'-D(P*TP*CP*GP*GP*GP*TP*AP*TP*AP*CP*AP*TP*A)-3', CcdA | Authors: | Madl, T, Van Melderen, L, Respondek, M, Oberer, M, Keller, W, Zangger, K. | Deposit date: | 2006-05-22 | Release date: | 2006-11-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural Basis for Nucleic Acid and Toxin Recognition of the Bacterial Antitoxin CcdA J.Mol.Biol., 364, 2006
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2H4K
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![BU of 2h4k by Molmil](/molmil-images/mine/2h4k) | Crystal structure of PTP1B with a monocyclic thiophene inhibitor | Descriptor: | 4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xu, W, Wan, Z.-K. | Deposit date: | 2006-05-24 | Release date: | 2006-08-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: Capturing interactions with Asp48. Bioorg.Med.Chem.Lett., 16, 2006
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4ZXM
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![BU of 4zxm by Molmil](/molmil-images/mine/4zxm) | Crystal structure of PGRP domain from Branchiostoma belcheri tsingtauense peptidoglycan recognition protein 3 | Descriptor: | PGRP domain of peptidoglycan recognition protein 3 | Authors: | Wang, W.J, Cheng, W, Jiang, Y.L, Yu, H.M, Luo, M. | Deposit date: | 2015-05-20 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Activity Augmentation of Amphioxus Peptidoglycan Recognition Protein BbtPGRP3 via Fusion with a Chitin Binding Domain Plos One, 10, 2015
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1NLY
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![BU of 1nly by Molmil](/molmil-images/mine/1nly) | Crystal structure of the traffic ATPase of the Helicobacter pylori type IV secretion system in complex with ATPgammaS | Descriptor: | MAGNESIUM ION, NONAETHYLENE GLYCOL, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Savvides, S.N, Yeo, H.J, Beck, M.R, Blaesing, F, Lurz, R, Lanka, E, Buhrdorf, R, Fischer, W, Haas, R, Waksman, G. | Deposit date: | 2003-01-08 | Release date: | 2003-05-06 | Last modified: | 2012-03-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | VirB11 ATPases are dynamic hexameric assemblies: New insights into bacterial type IV secretion Embo J., 22, 2003
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1O4Z
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![BU of 1o4z by Molmil](/molmil-images/mine/1o4z) | THE THREE-DIMENSIONAL STRUCTURE OF BETA-AGARASE B FROM ZOBELLIA GALACTANIVORANS | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, SODIUM ION, ... | Authors: | Allouch, J, Jam, M, Helbert, W, Barbeyron, T, Kloareg, B, Henrissat, B, Czjzek, M. | Deposit date: | 2003-07-29 | Release date: | 2003-12-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Three-dimensional Structures of Two {beta}-Agarases. J.Biol.Chem., 278, 2003
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