1ULA
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![BU of 1ula by Molmil](/molmil-images/mine/1ula) | APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS | Descriptor: | PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | Authors: | Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E. | Deposit date: | 1991-11-05 | Release date: | 1993-01-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors. Proc.Natl.Acad.Sci.USA, 88, 1991
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1TBE
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![BU of 1tbe by Molmil](/molmil-images/mine/1tbe) | |
3XIM
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![BU of 3xim by Molmil](/molmil-images/mine/3xim) | ARGININE RESIDUES AS STABILIZING ELEMENTS IN PROTEINS | Descriptor: | COBALT (II) ION, D-XYLOSE ISOMERASE, sorbitol | Authors: | Mrabet, N.T, Van Denbroek, A, Van Den Brande, I, Stanssens, P, Laroche, Y, Lambeir, A.-M, Matthyssens, G, Jenkins, J, Chiadmi, M, Vantilbeurgh, H, Rey, F, Janin, J, Quax, W.J, Lasters, I, Demaeyer, M, Wodak, S.J. | Deposit date: | 1991-05-29 | Release date: | 1993-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Arginine residues as stabilizing elements in proteins. Biochemistry, 31, 1992
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1VCJ
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![BU of 1vcj by Molmil](/molmil-images/mine/1vcj) | Influenza B virus neuraminidase complexed with 1-(4-Carboxy-2-(3-pentylamino)phenyl)-5-aminomethyl-5-hydroxymethyl-pyrrolidin-2-one | Descriptor: | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID, NEURAMINIDASE | Authors: | Lommer, B.S, Ali, S.M, Bajpai, S.N, Brouillette, W.J, Air, G.M, Luo, M. | Deposit date: | 2004-03-09 | Release date: | 2004-03-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A benzoic acid inhibitor induces a novel conformational change in the active site of Influenza B virus neuraminidase. Acta Crystallogr.,Sect.D, 60, 2004
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1VSU
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![BU of 1vsu by Molmil](/molmil-images/mine/1vsu) | |
1RZY
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![BU of 1rzy by Molmil](/molmil-images/mine/1rzy) | Crystal structure of rabbit Hint complexed with N-ethylsulfamoyladenosine | Descriptor: | 5'-O-(N-ETHYL-SULFAMOYL)ADENOSINE, Histidine triad nucleotide-binding protein 1 | Authors: | Krakowiak, A.K, Pace, H.C, Blackburn, G.M, Adams, M, Mekhalfia, A, Kaczmarek, R, Baraniak, J, Stec, W.J, Brenner, C. | Deposit date: | 2003-12-29 | Release date: | 2004-03-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biochemical, crystallographic, and mutagenic characterization of hint, the AMP-lysine hydrolase, with novel substrates and inhibitors J.Biol.Chem., 279, 2004
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1SQO
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![BU of 1sqo by Molmil](/molmil-images/mine/1sqo) | Substituted 2-Naphthamidine Inhibitors of Urokinase | Descriptor: | 8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMIDE, SULFATE ION, Urokinase-type plasminogen activator | Authors: | Wendt, M.D, Geyer, A, McClellan, W.J, Rockway, T.W, Weitzberg, M, Zhao, X, Mantei, R, Stewart, K, Nienaber, V, Klinghofer, V, Giranda, V.L. | Deposit date: | 2004-03-19 | Release date: | 2004-04-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors. Bioorg.Med.Chem.Lett., 14, 2004
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4A7A
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![BU of 4a7a by Molmil](/molmil-images/mine/4a7a) | Crystal structure of human monoamine oxidase B (MAO B) in complex with rosiglitazone | Descriptor: | (R)-ROSIGLITAZONE, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Binda, C, Aldeco, M, Geldenhuys, W.J, Tortorici, M, Mattevi, A, Edmondson, D.E. | Deposit date: | 2011-11-11 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular Insights Into Human Monoamine Oxidase B Inhibition by the Glitazone Anti-Diabetes Drugs Acs Med. Chem. Lett., 3, 2012
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3VJA
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![BU of 3vja by Molmil](/molmil-images/mine/3vja) | Crystal structure of the human squalene synthase | Descriptor: | NICKEL (II) ION, Squalene synthase | Authors: | Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J. | Deposit date: | 2011-10-14 | Release date: | 2012-04-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase J.Biol.Chem., 287, 2012
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1SQA
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![BU of 1sqa by Molmil](/molmil-images/mine/1sqa) | Substituted 2-Naphthamidine Inhibitors of Urokinase | Descriptor: | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-2-YLAMINO)-2-NAPHTHAMIDE, SULFATE ION, Urokinase-type plasminogen activator | Authors: | Wendt, M.D, Geyer, A, McClellan, W.J, Rockway, T.W, Weitzberg, M, Zhao, X, Stewart, K, Nienaber, V, Klinghofer, V, Giranda, V.L. | Deposit date: | 2004-03-18 | Release date: | 2004-04-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors. Bioorg.Med.Chem.Lett., 14, 2004
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1VGH
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![BU of 1vgh by Molmil](/molmil-images/mine/1vgh) | HEPARIN-BINDING DOMAIN FROM VASCULAR ENDOTHELIAL GROWTH FACTOR, NMR, 20 STRUCTURES | Descriptor: | VASCULAR ENDOTHELIAL GROWTH FACTOR-165 | Authors: | Fairbrother, W.J, Champe, M.A, Christinger, H.W, Keyt, B.A, Starovasnik, M.A. | Deposit date: | 1997-12-17 | Release date: | 1998-04-08 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution structure of the heparin-binding domain of vascular endothelial growth factor. Structure, 6, 1998
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1VPP
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![BU of 1vpp by Molmil](/molmil-images/mine/1vpp) | COMPLEX BETWEEN VEGF AND A RECEPTOR BLOCKING PEPTIDE | Descriptor: | PROTEIN (PEPTIDE V108), PROTEIN (VASCULAR ENDOTHELIAL GROWTH FACTOR) | Authors: | Wiesmann, C, Christinger, H.W, Cochran, A.G, Cunningham, B.C, Fairbrother, W.J, Keenan, C.J, Meng, G, de Vos, A.M. | Deposit date: | 1998-10-09 | Release date: | 1999-02-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the complex between VEGF and a receptor-blocking peptide. Biochemistry, 37, 1998
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1VSV
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![BU of 1vsv by Molmil](/molmil-images/mine/1vsv) | |
4AYC
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![BU of 4ayc by Molmil](/molmil-images/mine/4ayc) | RNF8 RING domain structure | Descriptor: | CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE RNF8, GLYCEROL, ... | Authors: | Mattiroli, F, Vissers, J.H.A, Van Dijk, W.J, Ikpa, P, Citterio, E, Vermeulen, W, Marteijn, J.A, Sixma, T.K. | Deposit date: | 2012-06-20 | Release date: | 2012-09-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rnf168 Ubiquitinates K13-15 on H2A/H2Ax to Drive DNA Damage Signaling Cell(Cambridge,Mass.), 150, 2012
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4D59
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![BU of 4d59 by Molmil](/molmil-images/mine/4d59) | Clostridial Cysteine protease Cwp84 C116A after propeptide cleavage | Descriptor: | CALCIUM ION, CELL SURFACE PROTEIN (PUTATIVE CELL SURFACE-ASSOCIATED CYSTEINE PROTEASE), O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500) | Authors: | Bradshaw, W.J, Roberts, A.K, Shone, C.C, Acharya, K.R. | Deposit date: | 2014-11-03 | Release date: | 2015-03-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Cwp84, a Clostridium Difficile Cysteine Protease, Exhibits Conformational Flexibility in the Absence of its Propeptide Acta Crystallogr.,Sect.F, 71, 2015
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4D5A
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![BU of 4d5a by Molmil](/molmil-images/mine/4d5a) | Clostridial Cysteine protease Cwp84 C116A after propeptide cleavage | Descriptor: | CALCIUM ION, CELL SURFACE PROTEIN (PUTATIVE CELL SURFACE-ASSOCIATED CYSTEINE PROTEASE), GLYCEROL, ... | Authors: | Bradshaw, W.J, Roberts, A.K, Shone, C.C, Acharya, K.R. | Deposit date: | 2014-11-03 | Release date: | 2015-03-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cwp84, a Clostridium Difficile Cysteine Protease, Exhibits Conformational Flexibility in the Absence of its Propeptide Acta Crystallogr.,Sect.F, 71, 2015
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4CAK
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![BU of 4cak by Molmil](/molmil-images/mine/4cak) | Three-dimensional reconstruction of intact human integrin alphaIIbbeta3 in a phospholipid bilayer nanodisc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin alpha-IIb, ... | Authors: | Choi, W.S, Rice, W.J, Stokes, D.L, Coller, B.S. | Deposit date: | 2013-10-08 | Release date: | 2013-10-30 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (20.5 Å) | Cite: | Three-Dimensional Reconstruction of Intact Human Integrin Alphaiibbeta3; New Implications for Activation-Dependent Ligand Binding. Blood, 122, 2013
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4DPW
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![BU of 4dpw by Molmil](/molmil-images/mine/4dpw) | Crystal structure of Staphylococcus epidermidis D283A mevalonate diphosphate decarboxylase complexed with mevalonate diphosphate and ATPgS | Descriptor: | (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID, FORMIC ACID, GLYCEROL, ... | Authors: | Barta, M.L, McWhorter, W.J, Geisbrecht, B.V. | Deposit date: | 2012-02-14 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.605 Å) | Cite: | Structural basis for nucleotide binding and reaction catalysis in mevalonate diphosphate decarboxylase. Biochemistry, 51, 2012
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4DWK
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![BU of 4dwk by Molmil](/molmil-images/mine/4dwk) | Structure of cystein free insulin degrading enzyme with compound bdm41671 ((s)-2-{2-[carboxymethyl-(3-phenyl-propyl)-amino]-acetylamino}-3-(1h-imidazol-4-yl)-propionic acid methyl ester) | Descriptor: | Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate | Authors: | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | Deposit date: | 2012-02-24 | Release date: | 2013-04-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis. Eur.J.Med.Chem., 79, 2014
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4DQ9
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![BU of 4dq9 by Molmil](/molmil-images/mine/4dq9) | Crystal structure of the minor pseudopilin EPSH from the type II secretion system of Vibrio cholerae | Descriptor: | CHLORIDE ION, General secretion pathway protein H, SODIUM ION | Authors: | Raghunathan, K, Vago, F.S, Grindem, D, Ball, T, Wedemeyer, W.J, Arvidson, D.N. | Deposit date: | 2012-02-15 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | The 1.59 angstrom resolution structure of the minor pseudopilin EpsH of Vibrio cholerae reveals a long flexible loop. Biochim.Biophys.Acta, 1844, 2013
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4DU7
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![BU of 4du7 by Molmil](/molmil-images/mine/4du7) | |
4DPY
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![BU of 4dpy by Molmil](/molmil-images/mine/4dpy) | |
4E01
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![BU of 4e01 by Molmil](/molmil-images/mine/4e01) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with AMPPNP | Descriptor: | 3,6-dichloro-1-benzothiophene-2-carboxylic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | Deposit date: | 2012-03-02 | Release date: | 2013-03-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes To be Published
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4E00
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![BU of 4e00 by Molmil](/molmil-images/mine/4e00) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with ADP | Descriptor: | 3,6-dichloro-1-benzothiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | Deposit date: | 2012-03-01 | Release date: | 2013-03-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with ADP To be Published
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4E02
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![BU of 4e02 by Molmil](/molmil-images/mine/4e02) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with AMPPNP | Descriptor: | (S)-2-chloro-3-phenylpropanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | Deposit date: | 2012-03-02 | Release date: | 2013-03-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1547 Å) | Cite: | Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes To be Published
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