2FJF
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![BU of 2fjf by Molmil](/molmil-images/mine/2fjf) | Structure of the G6 Fab, a phage derived VEGF binding Fab | Descriptor: | Heavy Chain of a VEGF binding Antibody, Light Chain of a VEGF binding Antibody | Authors: | Wiesmann, C. | Deposit date: | 2006-01-02 | Release date: | 2006-02-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-function studies of two synthetic anti-vascular endothelial growth factor Fabs and comparison with the Avastin Fab. J.Biol.Chem., 281, 2006
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1CIG
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1W29
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![BU of 1w29 by Molmil](/molmil-images/mine/1w29) | Lumazine Synthase from Mycobacterium tuberculosis bound to 3-(1,3,7- trihydro-9-D-ribityl-2,6,8-purinetrione-7-yl)butane 1-phosphate | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 4-{2,6,8-TRIOXO-9-[(2R,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE, 4-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE, ... | Authors: | Morgunova, E, Meining, W, Illarionov, B, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | Deposit date: | 2004-07-01 | Release date: | 2005-03-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Lumazine Synthase from Mycobacterium Tuberculosis as a Target for Rational Drug Design: Binding Mode of a New Class of Purinetrione Inhibitors(,) Biochemistry, 44, 2005
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4KV4
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![BU of 4kv4 by Molmil](/molmil-images/mine/4kv4) | Brd4 Bromodomain 2 in Complex with Acetylated Rel Peptide | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bromodomain-containing protein 4, Rel Peptide | Authors: | Zhang, H, Nair, S.K. | Deposit date: | 2013-05-22 | Release date: | 2013-06-26 | Last modified: | 2014-05-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Brd4 maintains constitutively active NF-kappa B in cancer cells by binding to acetylated RelA. Oncogene, 33, 2014
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2F6E
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2FJN
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![BU of 2fjn by Molmil](/molmil-images/mine/2fjn) | The structure of phosphotyrosine phosphatase 1B in complex with compound 2 | Descriptor: | (4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID, CHLORIDE ION, Tyrosine-protein phosphatase, ... | Authors: | Asante-Appiah, E, Patel, S, Desponts, C, Taylor, J.M, Lau, C, Dufresne, C, Therien, M, Friesen, R, Becker, J.W, Leblanc, Y, Kennedy, B.P, Scapin, G. | Deposit date: | 2006-01-03 | Release date: | 2006-01-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformation-assisted inhibition of protein-tyrosine phosphatase-1B elicits inhibitor selectivity over T-cell protein-tyrosine phosphatase. J.Biol.Chem., 281, 2006
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1T26
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![BU of 1t26 by Molmil](/molmil-images/mine/1t26) | Plasmodium falciparum lactate dehydrogenase complexed with NADH and 4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID, L-lactate dehydrogenase | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | Deposit date: | 2004-04-20 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem., 279, 2004
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2FMG
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![BU of 2fmg by Molmil](/molmil-images/mine/2fmg) | Carbonic anhydrase activators. Activation of isoforms I, II, IV, VA, VII and XIV with L- and D- phenylalanine and crystallographic analysis of their adducts with isozyme II: sterospecific recognition within the active site of an enzyme and its consequences for the drug design, structure with L-phenylalanine | Descriptor: | Carbonic anhydrase 2, MERCURY (II) ION, PHENYLALANINE, ... | Authors: | Temperini, C, Scozzafava, A, Vullo, D, Supuran, C.T. | Deposit date: | 2006-01-09 | Release date: | 2006-05-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, VA, VII, and XIV with l- and d-Phenylalanine and Crystallographic Analysis of Their Adducts with Isozyme II: Stereospecific Recognition within the Active Site of an Enzyme and Its Consequences for the Drug Design. J.Med.Chem., 49, 2006
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1D4H
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![BU of 1d4h by Molmil](/molmil-images/mine/1d4h) | HIV-1 Protease in complex with the inhibitor BEA435 | Descriptor: | 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE, HIV-1 PROTEASE | Authors: | Unge, T. | Deposit date: | 1999-10-04 | Release date: | 2002-06-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors. Eur.J.Biochem., 270, 2003
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1CIE
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4KV1
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1CIZ
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![BU of 1ciz by Molmil](/molmil-images/mine/1ciz) | X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY | Descriptor: | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID, CALCIUM ION, PROTEIN (STROMELYSIN-1), ... | Authors: | Pavlovsky, A.G, Williams, M.G, Ye, Q.-Z, Ortwine, D.F, Purchase II, C.F, White, A.D, Dhanaraj, V, Roth, B.D, Johnson, L.L, Hupe, D, Humblet, C, Blundell, T.L. | Deposit date: | 1999-04-06 | Release date: | 1999-09-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity. Protein Sci., 8, 1999
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1DYR
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![BU of 1dyr by Molmil](/molmil-images/mine/1dyr) | THE STRUCTURE OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE TO 1.9 ANGSTROMS RESOLUTION | Descriptor: | DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM | Authors: | Champness, J.N, Achari, A, Ballantine, S.P, Bryant, P.K, Delves, C.J, Stammers, D.K. | Deposit date: | 1994-09-14 | Release date: | 1995-10-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | The structure of Pneumocystis carinii dihydrofolate reductase to 1.9 A resolution. Structure, 2, 1994
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1DXD
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![BU of 1dxd by Molmil](/molmil-images/mine/1dxd) | Photolyzed CO complex of Myoglobin Mb-YQR at 20K | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Brunori, M, Vallone, B, Cutruzzola, F, Travaglini-Allocatelli, C, Berendzen, J, Chu, K, Sweet, R.M, Schlichting, I. | Deposit date: | 2000-01-03 | Release date: | 2000-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Role of Cavities in Protein Dynamics: Crystal Structure of a Photolytic Intermediate of a Mutant Myoglobin. Proc.Natl.Acad.Sci.USA, 97, 2000
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1W7L
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![BU of 1w7l by Molmil](/molmil-images/mine/1w7l) | Crystal structure of human kynurenine aminotransferase I | Descriptor: | KYNURENINE--OXOGLUTARATE TRANSAMINASE I, PYRIDOXAL-5'-PHOSPHATE | Authors: | Rossi, F, Han, Q, Li, J, Li, J, Rizzi, M. | Deposit date: | 2004-09-06 | Release date: | 2004-09-08 | Last modified: | 2015-12-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Human Kynurenine Aminotransferase I J.Biol.Chem., 279, 2004
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1E25
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![BU of 1e25 by Molmil](/molmil-images/mine/1e25) | The high resolution structure of PER-1 class A beta-lactamase | Descriptor: | EXTENDED-SPECTRUM BETA-LACTAMASE PER-1, SULFATE ION | Authors: | Tranier, S, Bouthors, A.T, Maveyraud, L, Guillet, V, Sougakoff, W, Samama, J.P. | Deposit date: | 2000-05-17 | Release date: | 2000-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The High Resolution Crystal Structure for Class a Beta-Lactamase Per-1 Reveals the Bases for its Increase in Breadth of Activity J.Biol.Chem., 275, 2000
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2EXN
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![BU of 2exn by Molmil](/molmil-images/mine/2exn) | Solution structure for the protein coded by gene locus BB0938 of Bordetella bronchiseptica. Northeast Structural Genomics target BoR11. | Descriptor: | Hypothetical protein BoR11 | Authors: | Rossi, P, Ramelot, T, Xiao, R, Ho, C.K, Ma, L.-C, Acton, T.B, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-11-08 | Release date: | 2005-11-15 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | (1)H, (13)C, and (15)N Resonance Assignments for the Protein Coded by Gene Locus BB0938 of Bordetella bronchiseptica J.Biomol.NMR, 33, 2005
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1VJA
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![BU of 1vja by Molmil](/molmil-images/mine/1vja) | Urokinase Plasminogen Activator B-Chain-JT463 Complex | Descriptor: | N-(BENZYLSULFONYL)SERYL-N~1~-{4-[(Z)-AMINO(IMINO)METHYL]BENZYL}SERINAMIDE, SULFATE ION, plasminogen activator, ... | Authors: | Schweinitz, A, Steinmetzer, T, Banke, I.J, Arlt, M.J.E, Stuerzebecher, A, Schuster, O, Geissler, A, Giersiefen, H, Zeslawska, E, Jacob, U, Kruger, A, Stuerzebecher, J. | Deposit date: | 2004-02-03 | Release date: | 2004-06-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of novel and selective inhibitors of urokinase-type plasminogen activator with improved pharmacokinetic properties for use as antimetastatic agents J.Biol.Chem., 279, 2004
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1W5W
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![BU of 1w5w by Molmil](/molmil-images/mine/1w5w) | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-12-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
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1ER8
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![BU of 1er8 by Molmil](/molmil-images/mine/1er8) | THE ACTIVE SITE OF ASPARTIC PROTEINASES | Descriptor: | Endothiapepsin, H-77 | Authors: | Hemmings, A.M, Veerapandian, B, Szelke, M, Cooper, J.B, Blundell, T.L. | Deposit date: | 1989-10-16 | Release date: | 1991-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Active Site of Aspartic Proteinases FEBS Lett., 174, 1984
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2FJ6
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![BU of 2fj6 by Molmil](/molmil-images/mine/2fj6) | Solution NMR structure of the UPF0346 protein yozE from Bacillus subtilis. Northeast Structural Genomics target SR391. | Descriptor: | Hypothetical UPF0346 protein yozE | Authors: | Rossi, P, Acton, T.B, Cunningham, K.E, Ma, L.C, Shetty, K, Swapna, G.V.T, Xiao, R, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-12-31 | Release date: | 2006-02-14 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the UPF0346 protein yozE from Bacillus subtilis. Northeast Structural Genomics target SR391. To be Published
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1EC1
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![BU of 1ec1 by Molmil](/molmil-images/mine/1ec1) | HIV-1 protease in complex with the inhibitor BEA409 | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE] | Authors: | Unge, T. | Deposit date: | 2000-01-25 | Release date: | 2002-06-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors Eur.J.Biochem., 270, 2003
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2FM5
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![BU of 2fm5 by Molmil](/molmil-images/mine/2fm5) | Crystal structure of PDE4D2 in complex with inhibitor L-869299 | Descriptor: | (R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-OXIDE, MAGNESIUM ION, ZINC ION, ... | Authors: | Huai, Q, Sun, Y, Wang, H, Macdonald, D, Aspiotis, R, Robinson, H, Huang, Z, Ke, H. | Deposit date: | 2006-01-07 | Release date: | 2006-03-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Enantiomer Discrimination Illustrated by the High Resolution Crystal Structures of Type 4 Phosphodiesterase J.Med.Chem., 49, 2006
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2FM0
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![BU of 2fm0 by Molmil](/molmil-images/mine/2fm0) | Crystal structure of PDE4D in complex with L-869298 | Descriptor: | (S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHY L)PYRIDINE 1-OXIDE, MAGNESIUM ION, ZINC ION, ... | Authors: | Huai, Q, Sun, Y, Wang, H, Macdonald, D, Aspiotis, R, Robinson, H, Huang, Z, Ke, H. | Deposit date: | 2006-01-06 | Release date: | 2006-03-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enantiomer Discrimination Illustrated by the High Resolution Crystal Structures of Type 4 Phosphodiesterase J.Med.Chem., 49, 2006
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2F2K
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![BU of 2f2k by Molmil](/molmil-images/mine/2f2k) | Aldose reductase tertiary complex with NADPH and DEG | Descriptor: | Aldose reductase, GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Singh, R, White, M.A, Ramana, K.V, Petrash, J.M, Watowich, S.J, Bhatnagar, A, Srivastava, S.K. | Deposit date: | 2005-11-17 | Release date: | 2006-05-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure of a glutathione conjugate bound to the active site of aldose reductase. Proteins, 64, 2006
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