2WI5
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![BU of 2wi5 by Molmil](/molmil-images/mine/2wi5) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI3
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![BU of 2wi3 by Molmil](/molmil-images/mine/2wi3) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, HEAT SHOCK PROTEIN, HSP 90-ALPHA, ... | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI7
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![BU of 2wi7 by Molmil](/molmil-images/mine/2wi7) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI2
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![BU of 2wi2 by Molmil](/molmil-images/mine/2wi2) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI4
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![BU of 2wi4 by Molmil](/molmil-images/mine/2wi4) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine, HEAT SHOCK PROTEIN, HSP 90-ALPHA | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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4AC1
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![BU of 4ac1 by Molmil](/molmil-images/mine/4ac1) | The structure of a fungal endo-beta-N-acetylglucosaminidase from glycosyl hydrolase family 18, at 1.3A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ENDO-N-ACETYL-BETA-D-GLUCOSAMINIDASE, ... | Authors: | Stals, I, Karkehabadi, S, Devreese, B, Kim, S, Ward, M, Sandgren, M. | Deposit date: | 2011-12-12 | Release date: | 2012-08-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High Resolution Crystal Structure of the Endo-N-Acetyl-Beta- D-Glucosaminidase Responsible for the Deglycosylation of Hypocrea Jecorina Cellulases. Plos One, 7, 2012
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2OXZ
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![BU of 2oxz by Molmil](/molmil-images/mine/2oxz) | Human MMP-12 in complex with two peptides PQG and IAG | Descriptor: | CALCIUM ION, ILE-ALA-GLY peptide, Macrophage metalloelastase, ... | Authors: | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | Deposit date: | 2007-02-21 | Release date: | 2007-03-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Snapshots of the reaction mechanism of matrix metalloproteinases. ANGEW.CHEM.INT.ED.ENGL., 45, 2006
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2OXW
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![BU of 2oxw by Molmil](/molmil-images/mine/2oxw) | Human MMP-12 complexed with the peptide IAG | Descriptor: | CALCIUM ION, ILE-ALA-GLY peptide, Macrophage metalloelastase, ... | Authors: | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | Deposit date: | 2007-02-21 | Release date: | 2007-03-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Snapshots of the reaction mechanism of matrix metalloproteinases. ANGEW.CHEM.INT.ED.ENGL., 45, 2006
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285D
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![BU of 285d by Molmil](/molmil-images/mine/285d) | |
286D
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![BU of 286d by Molmil](/molmil-images/mine/286d) | |
2R59
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![BU of 2r59 by Molmil](/molmil-images/mine/2r59) | Leukotriene A4 hydrolase complexed with inhibitor RB3041 | Descriptor: | ACETIC ACID, Leukotriene A-4 hydrolase, N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine, ... | Authors: | Tholander, F, Haeggstrom, J.Z, Thunnissen, M, Muroya, A, Roques, B.P, Fournie-Zaluski, M.C. | Deposit date: | 2007-09-03 | Release date: | 2008-08-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design. Chem.Biol., 15, 2008
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3LS3
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![BU of 3ls3 by Molmil](/molmil-images/mine/3ls3) | Padron0.9-ON (fluorescent state) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Padron0.9, ... | Authors: | Brakemann, T, Weber, G, Trowitzsch, S, Wahl, M.C, Jakobs, S. | Deposit date: | 2010-02-12 | Release date: | 2010-03-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Molecular basis of the light-driven switching of the photochromic fluorescent protein Padron. J.Biol.Chem., 285, 2010
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2MCN
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![BU of 2mcn by Molmil](/molmil-images/mine/2mcn) | Distinct ubiquitin binding modes exhibited by SH3 domains: molecular determinants and functional implications | Descriptor: | CD2-associated protein, Ubiquitin | Authors: | Ortega-Roldan, J, Salmon, L, Azuaga, A, Blackledge, M, Van Nuland, N. | Deposit date: | 2013-08-22 | Release date: | 2014-02-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Distinct ubiquitin binding modes exhibited by SH3 domains: molecular determinants and functional implications. Plos One, 8, 2013
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1TGL
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![BU of 1tgl by Molmil](/molmil-images/mine/1tgl) | A SERINE PROTEASE TRIAD FORMS THE CATALYTIC CENTRE OF A TRIACYLGLYCEROL LIPASE | Descriptor: | TRIACYL-GLYCEROL ACYLHYDROLASE | Authors: | Brady, L, Brzozowski, A.M, Derewenda, Z.S, Dodson, E.J, Dodson, G.G, Tolley, S.P, Turkenburg, J.P, Christiansen, L, Huge-Jensen, B, Norskov, L, Thim, L. | Deposit date: | 1990-02-05 | Release date: | 1990-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A serine protease triad forms the catalytic centre of a triacylglycerol lipase. Nature, 343, 1990
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297D
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![BU of 297d by Molmil](/molmil-images/mine/297d) | |
2N59
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![BU of 2n59 by Molmil](/molmil-images/mine/2n59) | Solution Structure of R. palustris CsgH | Descriptor: | Putative uncharacterized protein CsgH | Authors: | Hawthorne, W.J, Taylor, J.D, Escalera-Maurer, A, Lambert, S, Koch, M, Scull, N, Sefer, L, Xu, Y, Matthews, S.J. | Deposit date: | 2015-07-13 | Release date: | 2016-05-11 | Method: | SOLUTION NMR | Cite: | Electrostatically-guided inhibition of Curli amyloid nucleation by the CsgC-like family of chaperones. Sci Rep, 6, 2016
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2LZ6
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![BU of 2lz6 by Molmil](/molmil-images/mine/2lz6) | Distinct ubiquitin binding modes exhibited by sh3 domains: molecular determinants and functional implications | Descriptor: | CD2-associated protein, Ubiquitin | Authors: | Ortega-Roldan, J, Azuaga, A, Blackledge, M, Van Nuland, N. | Deposit date: | 2012-09-24 | Release date: | 2013-10-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Distinct Ubiquitin Binding Modes Exhibited by SH3 Domains: Molecular Determinants and Functional Implications. Plos One, 8, 2013
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1EGN
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![BU of 1egn by Molmil](/molmil-images/mine/1egn) | CELLOBIOHYDROLASE CEL7A (E223S, A224H, L225V, T226A, D262G) MUTANT | Descriptor: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE CEL7A, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION | Authors: | Stahlberg, J, Harris, M, Jones, T.A. | Deposit date: | 2000-02-16 | Release date: | 2001-05-16 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Engineering of a glycosidase Family 7 cellobiohydrolase to more alkaline pH optimum: the pH behaviour of Trichoderma reesei Cel7A and its E223S/ A224H/L225V/T226A/D262G mutant. Biochem.J., 356, 2001
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1WV0
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![BU of 1wv0 by Molmil](/molmil-images/mine/1wv0) | Crystallographic studies on acyl ureas, a new class of inhibitors of glycogen phosphorylase. Broad specificity of the allosteric site | Descriptor: | 4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2,3-DIMETHYLPHENOXY]BUTANOIC ACID, Glycogen phosphorylase, muscle form, ... | Authors: | Oikonomakos, N.G, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Klabunde, T, Wendt, K.U, Defossa, E. | Deposit date: | 2004-12-10 | Release date: | 2005-12-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs Protein Sci., 14, 2005
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1WV1
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![BU of 1wv1 by Molmil](/molmil-images/mine/1wv1) | Crystallographic studies on acyl ureas, a new class of inhibitors of glycogenphosphorylase. Broad specificity of the allosteric site | Descriptor: | 5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2-METHYLPHENOXY]PENTANOIC ACID, Glycogen phosphorylase, muscle form, ... | Authors: | Oikonomakos, N.G, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Klabunde, T, Wendt, K.U, Defossa, E. | Deposit date: | 2004-12-10 | Release date: | 2005-12-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs Protein Sci., 14, 2005
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2BYW
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![BU of 2byw by Molmil](/molmil-images/mine/2byw) | |
1WUY
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![BU of 1wuy by Molmil](/molmil-images/mine/1wuy) | Crystallographic studies on acyl ureas, a new class of inhibitors of glycogen phosphorylase. Broad specificity of the allosteric site | Descriptor: | 4-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACID, Glycogen phosphorylase, muscle form, ... | Authors: | Oikonomakos, N.G, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Klabunde, T, Wendt, K.U, Defossa, E. | Deposit date: | 2004-12-09 | Release date: | 2005-12-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs Protein Sci., 14, 2005
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2BYX
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1RMZ
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![BU of 1rmz by Molmil](/molmil-images/mine/1rmz) | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH at 1.3 A resolution | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B. | Deposit date: | 2003-11-28 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Conformational variability of matrix metalloproteinases: beyond a single 3D structure. Proc.Natl.Acad.Sci.Usa, 102, 2005
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2E0M
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![BU of 2e0m by Molmil](/molmil-images/mine/2e0m) | Mutant Human Ribonuclease 1 (T24L, Q28L, R31L, R32L) | Descriptor: | CADMIUM ION, CHLORIDE ION, Ribonuclease | Authors: | Yamada, H, Tamada, T, Kosaka, M, Kuroki, R. | Deposit date: | 2006-10-10 | Release date: | 2007-08-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 'Crystal lattice engineering,' an approach to engineer protein crystal contacts by creating intermolecular symmetry: crystallization and structure determination of a mutant human RNase 1 with a hydrophobic interface of leucines Protein Sci., 16, 2007
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