1UYG
| Human Hsp90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine | Descriptor: | 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | Deposit date: | 2004-03-02 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
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2AE1
| TROPINONE REDUCTASE-II | Descriptor: | TROPINONE REDUCTASE-II | Authors: | Nakajima, K, Yamashita, A, Akama, H, Nakatsu, T, Kato, H, Hashimoto, T, Oda, J, Yamada, Y. | Deposit date: | 1997-10-27 | Release date: | 1998-11-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of two tropinone reductases: different reaction stereospecificities in the same protein fold. Proc.Natl.Acad.Sci.USA, 95, 1998
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1W81
| Crystal structure of apical membrane antigen 1 from Plasmodium vivax | Descriptor: | APICAL MEMBRANE ANTIGEN 1, IMIDAZOLE | Authors: | Pizarro, J.C, Vulliez-Le Normand, B, Chesne-Seck, M.-L, Kocken, C.H.M, Thomas, A.W, Bentley, G.A. | Deposit date: | 2004-09-15 | Release date: | 2005-03-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal Structure of the Malaria Vaccine Candidate Apical Membrane Antigen 1 Science, 308, 2005
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4LHD
| Crystal structure of Synechocystis sp. PCC 6803 glycine decarboxylase (P-protein), holo form with pyridoxal-5'-phosphate and glycine, closed flexible loop | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, GLYCINE, ... | Authors: | Hasse, D, Andersson, E, Carlsson, G, Masloboy, A, Hagemann, M, Bauwe, H, Andersson, I. | Deposit date: | 2013-07-01 | Release date: | 2013-10-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7959 Å) | Cite: | Structure of the Homodimeric Glycine Decarboxylase P-protein from Synechocystis sp. PCC 6803 Suggests a Mechanism for Redox Regulation. J.Biol.Chem., 288, 2013
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1X7S
| The X-ray crystallographic structure of the amyloidogenic variant TTR Tyr78Phe | Descriptor: | Transthyretin | Authors: | Neto-Silva, R.M, Macedo-Ribeiro, S, Pereira, P.J.B, Saraiva, M.J, Damas, A.M. | Deposit date: | 2004-08-16 | Release date: | 2005-03-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | X-ray crystallographic studies of two transthyretin variants: further insights into amyloidogenesis. Acta Crystallogr.,Sect.D, 61, 2005
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2BYI
| 3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as Inhibitors of the Hsp90 Molecular Chaperone | Descriptor: | 3-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID 4-SULFAMOYL-BENZYLAMIDE, HEAT SHOCK PROTEIN HSP90-ALPHA | Authors: | Brough, P.A, Barril, X, Beswick, M, Dymock, B.W, Drysdale, M.J, Wright, L, Grant, K, Massey, A, Surgenor, A, Workman, P. | Deposit date: | 2005-08-02 | Release date: | 2005-10-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 3-(5-Chloro-2,4-Dihydroxyphenyl)-Pyrazole-4-Carboxamides as Inhibitors of the Hsp90 Molecular Chaperone. Bioorg.Med.Chem.Lett., 15, 2005
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4LHC
| Crystal structure of Synechocystis sp. PCC 6803 glycine decarboxylase (P-protein), holo form with pyridoxal-5'-phosphate and glycine | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, BICINE, ... | Authors: | Hasse, D, Andersson, E, Carlsson, G, Masloboy, A, Hagemann, M, Bauwe, H, Andersson, I. | Deposit date: | 2013-07-01 | Release date: | 2013-10-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structure of the Homodimeric Glycine Decarboxylase P-protein from Synechocystis sp. PCC 6803 Suggests a Mechanism for Redox Regulation. J.Biol.Chem., 288, 2013
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2BSM
| Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design | Descriptor: | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP90-ALPHA | Authors: | Dymock, B.W, Barril, X, Brough, P.A, Cansfield, J.E, Massey, A, McDonald, E, Hubbard, R.E, Surgenor, A, Roughley, S.D, Webb, P, Workman, P, Wright, L, Drysdale, M.J. | Deposit date: | 2005-05-23 | Release date: | 2005-06-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design. J. Med. Chem., 48, 2005
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2BT0
| Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design | Descriptor: | 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP90-ALPHA | Authors: | Dymock, B.W, Barril, X, Brough, P.A, Cansfield, J.E, Massey, A, McDonald, E, Hubbard, R.E, Surgenor, A, Roughley, S.D, Webb, P, Workman, P, Wright, L, Drysdale, M.J. | Deposit date: | 2005-05-24 | Release date: | 2005-06-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design. J. Med. Chem., 48, 2005
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2BYH
| 3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as Inhibitors of the Hsp90 Molecular Chaperone | Descriptor: | HEAT SHOCK PROTEIN HSP90-ALPHA, N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE | Authors: | Brough, P.A, Barril, X, Beswick, M, Dymock, B.W, Drysdale, M.J, Wright, L, Grant, K, Massey, A, Surgenor, A, Workman, P. | Deposit date: | 2005-08-02 | Release date: | 2005-10-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 3-(5-Chloro-2,4-Dihydroxyphenyl)-Pyrazole-4-Carboxamides as Inhibitors of the Hsp90 Molecular Chaperone. Bioorg.Med.Chem.Lett., 15, 2005
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2IQG
| Crystal Structure of Hydroxyethyl Secondary Amine-based Peptidomimetic Inhibitor of Human Beta-Secretase (BACE) | Descriptor: | Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | Authors: | Benson, T.E, Woods, D.D, Prince, D.B, Tomasselli, A.G, Emmons, T.L. | Deposit date: | 2006-10-13 | Release date: | 2007-02-27 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design, Synthesis, and Crystal Structure of Hydroxyethyl Secondary Amine-Based Peptidomimetic Inhibitors of Human beta-Secretase. J.Med.Chem., 50, 2007
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1RYO
| Human serum transferrin, N-lobe bound with oxalate | Descriptor: | FE (III) ION, OXALATE ION, Serotransferrin | Authors: | Halbrooks, P.J, Mason, A.B, Adams, T.E, Briggs, S.K, Everse, S.J. | Deposit date: | 2003-12-22 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The oxalate effect on release of iron from human serum transferrin explained. J.Mol.Biol., 339, 2004
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2HIZ
| Crystal Structure of human beta-secretase (BACE) in the presence of an inhibitor | Descriptor: | BENZYL [(1S)-2-({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)-2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE, Beta-secretase 1, PHOSPHATE ION | Authors: | Benson, T.E, Prince, D.B, Tomasselli, A.G, Emmons, T.L, Paddock, D.J. | Deposit date: | 2006-06-29 | Release date: | 2007-01-23 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design of potent inhibitors of human beta-secretase. Part 1. Bioorg.Med.Chem.Lett., 17, 2007
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2B16
| The crystal structure of 2,4-dinitrophenol in complex with the amyloidogenic variant Transthyretin Tyr78Phe | Descriptor: | 2,4-DINITROPHENOL, Transthyretin | Authors: | Morais-de-Sa, E, Neto-Silva, R.M, Pereira, P.J, Saraiva, M.J, Damas, A.M. | Deposit date: | 2005-09-15 | Release date: | 2006-07-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The binding of 2,4-dinitrophenol to wild-type and amyloidogenic transthyretin ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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2B14
| The crystal structure of 2,4-dinitrophenol in complex with the amyloidogenic variant Transthyretin Leu 55 Pro | Descriptor: | 2,4-DINITROPHENOL, Transthyretin | Authors: | Morais-de-Sa, E, Neto-Silva, R.M, Pereira, P.J, Saraiva, M.J, Damas, A.M. | Deposit date: | 2005-09-15 | Release date: | 2006-07-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The binding of 2,4-dinitrophenol to wild-type and amyloidogenic transthyretin ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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4K71
| Crystal structure of a high affinity Human Serum Albumin variant bound to the Neonatal Fc Receptor | Descriptor: | Beta-2-microglobulin, IgG receptor FcRn large subunit p51, SULFATE ION, ... | Authors: | Schmidt, M.M, Townson, S.A, Andreucci, A, Dombrowski, C, Erbe, D.V, King, B, Kovalchin, J.T, Masci, A, Murillo, A, Schirmer, E.B, Furfine, E.S, Barnes, T.M. | Deposit date: | 2013-04-16 | Release date: | 2013-10-23 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of an HSA/FcRn complex reveals recycling by competitive mimicry of HSA ligands at a pH-dependent hydrophobic interface. Structure, 21, 2013
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1UUX
| Structure of a molybdopterin-bound cnx1g domain links molybdenum and copper metabolism | Descriptor: | COPPER (I) ION, FORMIC ACID, IMIDAZOLE, ... | Authors: | Kuper, J, Llamas, A, Hecht, H.J, Mendel, R.R, Schwarz, G. | Deposit date: | 2004-01-12 | Release date: | 2004-08-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of a Molybdopterin-Bound Cnx1G Domain Links Molybdenum and Copper Metabolism Nature, 430, 2004
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1UUY
| Structure of a molybdopterin-bound cnx1g domain links molybdenum and copper metabolism | Descriptor: | ADENOSINE MONOPHOSPHATE, COPPER (I) ION, FORMIC ACID, ... | Authors: | Kuper, J, Llamas, A, Hecht, H.J, Mendel, R.R, Schwarz, G. | Deposit date: | 2004-01-12 | Release date: | 2004-08-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of a Molybdopterin-Bound Cnx1G Domain Links Molybdenum and Copper Metabolism Nature, 430, 2004
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2H4E
| Crystal structure of Cys10 sulfonated transthyretin | Descriptor: | SULFATE ION, Transthyretin | Authors: | Gales, L, Damas, A.M. | Deposit date: | 2006-05-24 | Release date: | 2007-01-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural basis for the protective role of sulfite against transthyretin amyloid formation. Biochim.Biophys.Acta, 1774, 2007
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2HM1
| Crystal Structure of human beta-secretase (BACE) in the presence of an inhibitor (2) | Descriptor: | Beta-secretase 1, N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE | Authors: | Benson, T.E, Prince, D.B, Tomasselli, A.G, Emmons, T.L, Paddock, D.J. | Deposit date: | 2006-07-10 | Release date: | 2007-01-23 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design of potent inhibitors of human beta-secretase. Part 2. Bioorg.Med.Chem.Lett., 17, 2007
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2FDP
| Crystal structure of beta-secretase complexed with an amino-ethylene inhibitor | Descriptor: | Beta-secretase 1, N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | Authors: | Yang, W, Lu, W, Lu, Y, Zhong, M, Sun, J, Thomas, A.E, Wilkinson, J.M, Fucini, R.V, Lam, M, Randal, M, Shi, X.P, Jacobs, J.W, McDowell, R.S, Gordon, E.M, Ballinger, M.D. | Deposit date: | 2005-12-14 | Release date: | 2006-01-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1. J.Med.Chem., 49, 2006
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4LGL
| Crystal Structure of Glycine Decarboxylase P-protein from Synechocystis sp. PCC 6803, apo form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Glycine dehydrogenase [decarboxylating] | Authors: | Hasse, D, Andersson, E, Carlsson, G, Masloboy, A, Hagemann, M, Bauwe, H, Andersson, I. | Deposit date: | 2013-06-28 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.0004 Å) | Cite: | Structure of the Homodimeric Glycine Decarboxylase P-protein from Synechocystis sp. PCC 6803 Suggests a Mechanism for Redox Regulation. J.Biol.Chem., 288, 2013
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2W05
| Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5b | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | Authors: | Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Breed, J, Byth, K.F, Culshaw, J.D, Finlay, M.R, Fisher, E, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Pauptit, R.A, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M. | Deposit date: | 2008-08-08 | Release date: | 2008-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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2W06
| Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5c | Descriptor: | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Byth, K.F, Culshaw, J.D, Finlay, M.R.V, Fisher, E, Mcmiken, H.H.J, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M. | Deposit date: | 2008-08-08 | Release date: | 2008-09-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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2WI1
| Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | 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 (2.3 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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