2W2T
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![BU of 2w2t by Molmil](/molmil-images/mine/2w2t) | Rac2 (G12V) in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAS-RELATED C3 BOTULINUM TOXIN SUBSTRATE 2 | Authors: | Opaleye, O, Bunney, T.D, Roe, S.M, Pearl, L.H. | Deposit date: | 2008-11-04 | Release date: | 2009-05-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Insights Into Formation of an Active Signaling Complex between Rac and Phospholipase C Gamma 2. Mol.Cell, 34, 2009
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2XX5
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![BU of 2xx5 by Molmil](/molmil-images/mine/2xx5) | Macrolactone Inhibitor bound to HSP90 N-term | Descriptor: | (5E,10R)-N-BENZYL-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDRO-2-BENZAZACYCLOTETRADECINE-10-CARBOXAMIDE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL | Authors: | Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M. | Deposit date: | 2010-11-08 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies. Acs Chem.Biol., 6, 2011
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2XBJ
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![BU of 2xbj by Molmil](/molmil-images/mine/2xbj) | Crystal Structure of Chk2 in complex with an inhibitor | Descriptor: | 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, NITRATE ION, ... | Authors: | Anderson, V.E, Walton, M.I, Eve, P.D, Caldwell, J.J, Pearl, L.H, Oliver, A.W, Collins, I, Garrett, M.D. | Deposit date: | 2010-04-12 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2. J.Med.Chem., 54, 2011
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2XCM
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![BU of 2xcm by Molmil](/molmil-images/mine/2xcm) | COMPLEX OF HSP90 N-TERMINAL, SGT1 CS AND RAR1 CHORD2 DOMAIN | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CYTOSOLIC HEAT SHOCK PROTEIN 90, MAGNESIUM ION, ... | Authors: | Zhang, M, Pearl, L.H. | Deposit date: | 2010-04-23 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for Assembly of Hsp90-Sgt1-Chord Protein Complexes: Implications for Chaperoning of Nlr Innate Immunity Receptors Mol.Cell, 39, 2010
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2XD6
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![BU of 2xd6 by Molmil](/molmil-images/mine/2xd6) | Hsp90 complexed with a resorcylic acid macrolactone. | Descriptor: | (5Z)-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-3,4,7,8,9,10,11,12-OCTAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-6-CARBALDEHYDE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL | Authors: | Roe, S.M, Prodromou, C, Pearl, L.H, Moody, C.J. | Deposit date: | 2010-04-29 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibition of Hsp90 with Resorcylic Acid Macrolactones. Synthesis and Binding Studies. Chemistry, 16, 2010
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2XM9
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![BU of 2xm9 by Molmil](/molmil-images/mine/2xm9) | Structure of a small molecule inhibitor with the kinase domain of Chk2 | Descriptor: | 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | Deposit date: | 2010-07-26 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2. J.Med.Chem., 54, 2011
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2VXC
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2VXB
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![BU of 2vxb by Molmil](/molmil-images/mine/2vxb) | Structure of the Crb2-BRCT2 domain | Descriptor: | DNA REPAIR PROTEIN RHP9, PRASEODYMIUM ION | Authors: | Kilkenny, M.L, Roe, S.M, Pearl, L.H. | Deposit date: | 2008-07-03 | Release date: | 2008-08-12 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Functional Analysis of the Crb2-Brct2 Domain Reveals Distinct Roles in Checkpoint Signaling and DNA Damage Repair. Genes Dev., 22, 2008
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2WEQ
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![BU of 2weq by Molmil](/molmil-images/mine/2weq) | |
2WTC
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![BU of 2wtc by Molmil](/molmil-images/mine/2wtc) | CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR | Descriptor: | 4-[2-AMINO-5-(4-HYDROXY-3-METHOXYPHENYL)PYRIDIN-3-YL]BENZAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2009-09-15 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2 Bioorg.Med.Chem., 18, 2010
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2XM8
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![BU of 2xm8 by Molmil](/molmil-images/mine/2xm8) | Co-crystal structure of a small molecule inhibitor bound to the kinase domain of Chk2 | Descriptor: | 2-{4-[(3S)-PYRROLIDIN-3-YLAMINO]QUINAZOLIN-2-YL}PHENOL, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | Deposit date: | 2010-07-26 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2. J.Med.Chem., 54, 2011
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2XX2
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![BU of 2xx2 by Molmil](/molmil-images/mine/2xx2) | Macrolactone Inhibitor bound to HSP90 N-term | Descriptor: | (5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL | Authors: | Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M. | Deposit date: | 2010-11-08 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies. Acs Chem.Biol., 6, 2011
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2XX4
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![BU of 2xx4 by Molmil](/molmil-images/mine/2xx4) | Macrolactone Inhibitor bound to HSP90 N-term | Descriptor: | (E)-ETHYL 13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDROBENZO[C][1]AZACYCLOTETRADECINE-10-CARBOXYLATE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | Authors: | Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M. | Deposit date: | 2010-11-08 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies. Acs Chem.Biol., 6, 2011
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2VCI
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![BU of 2vci by Molmil](/molmil-images/mine/2vci) | 4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer | Descriptor: | 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Brough, P.A, Aherne, W, Barril, X, Borgognoni, J, Boxal, K, Cansfield, J.E, Cheung, K.M, Collins, I, Davies, N.G.M, Drysdale, M.J, Dymock, B, Eccles, S.A, Finch, H, Fink, A, Hayes, A, Howes, R, Hubbard, R.E, James, K, Jordan, A.M, Lockie, A, Martins, V, Massey, A, Matthews, T.P, McDonald, E, Northfield, C.J, Pearl, L.H, Prodromou, C, Ray, S, Raynaud, F.I, Roughley, S.D, Sharp, S.Y, Surgenor, A, Walmsley, D.L, Webb, P, Wood, M, Workman, P, Wright, L. | Deposit date: | 2007-09-24 | Release date: | 2007-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer. J. Med. Chem., 51, 2008
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2VCJ
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![BU of 2vcj by Molmil](/molmil-images/mine/2vcj) | 4,5 Diaryl Isoxazole Hsp90 Chaperone Inhibitors: Potential Therapeutic Agents for the Treatment of Cancer | Descriptor: | 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Brough, P.A, Aherne, W, Barril, X, Borgognoni, J, Boxal, K, Cansfield, J.E, Cheung, K.M, Collins, I, Davies, N.G.M, Drysdale, M.J, Dymock, B, Eccles, S.A, Finch, H, Fink, A, Hayes, A, Howes, R, Hubbard, R.E, James, K, Jordan, A.M, Lockie, A, Martins, V, Massey, A, Matthews, T.P, McDonald, E, Northfield, C.J, Pearl, L.H, Prodromou, C, Ray, S, Raynaud, F.I, Roughley, S.D, Sharp, S.Y, Surgenor, A, Walmsley, D.L, Webb, P, Wood, M, Workman, P, Wright, L. | Deposit date: | 2007-09-24 | Release date: | 2007-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer. J. Med. Chem., 51, 2008
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2YGE
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![BU of 2yge by Molmil](/molmil-images/mine/2yge) | E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin | Descriptor: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL | Authors: | Roe, M, Prodromou, C, Pearl, L.H. | Deposit date: | 2011-04-14 | Release date: | 2011-11-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.956 Å) | Cite: | Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise by Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90. Faseb J., 25, 2011
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2YGF
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![BU of 2ygf by Molmil](/molmil-images/mine/2ygf) | L89V, L93I and V136M Mutant of N-Term HSP90 complexed with Geldanamycin | Descriptor: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL | Authors: | Roe, M, Prodromou, C, Pearl, L.H. | Deposit date: | 2011-04-14 | Release date: | 2011-11-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise by Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90. Faseb J., 25, 2011
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2YGA
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![BU of 2yga by Molmil](/molmil-images/mine/2yga) | E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin | Descriptor: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN | Authors: | Roe, S.M, Prodromou, C, Pearl, L.H. | Deposit date: | 2011-04-12 | Release date: | 2011-11-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise with Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90. Faseb J., 25, 2011
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4AIF
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![BU of 4aif by Molmil](/molmil-images/mine/4aif) | AIP TPR domain in complex with human Hsp90 peptide | Descriptor: | AH RECEPTOR-INTERACTING PROTEIN, HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION | Authors: | Morgan, R.M.L, Roe, S.M, Pearl, L.H, Prodromou, C. | Deposit date: | 2012-02-09 | Release date: | 2013-01-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | Structure of the Tpr Domain of Aip: Lack of Client Protein Interaction with the C-Terminal Alpha-7 Helix of the Tpr Domain of Aip is Sufficient for Pituitary Adenoma Predisposition. Plos One, 7, 2012
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4APO
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![BU of 4apo by Molmil](/molmil-images/mine/4apo) | AIP TPR domain in complex with human Tomm20 peptide | Descriptor: | AH RECEPTOR-INTERACTING PROTEIN, DODECAETHYLENE GLYCOL, MITOCHONDRIAL IMPORT RECEPTOR SUBUNIT TOM20 HOMOLOG, ... | Authors: | Morgan, R.M.L, Roe, S.M, Pearl, L.H, Prodromou, C. | Deposit date: | 2012-04-04 | Release date: | 2013-01-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Structure of the Tpr Domain of Aip: Lack of Client Protein Interaction with the C-Terminal Alpha-7 Helix of the Tpr Domain of Aip is Sufficient for Pituitary Adenoma Predisposition. Plos One, 7, 2012
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1BB3
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![BU of 1bb3 by Molmil](/molmil-images/mine/1bb3) | |
1BB4
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![BU of 1bb4 by Molmil](/molmil-images/mine/1bb4) | |
1BB5
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2YI5
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![BU of 2yi5 by Molmil](/molmil-images/mine/2yi5) | Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors. | Descriptor: | 4-CHLORO-6-[5-(3,4-DIMETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Roe, S.M, Prodromou, C, Pearl, L.H. | Deposit date: | 2011-05-10 | Release date: | 2012-05-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Co-Crystalization and in Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3-Thiadiazole Hsp90 Inhibitors. Plos One, 7, 2012
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2YI6
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![BU of 2yi6 by Molmil](/molmil-images/mine/2yi6) | Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors. | Descriptor: | 4-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]-6-ETHYLBENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | Authors: | Roe, S.M, Prodromou, C, Pearl, L.H. | Deposit date: | 2011-05-10 | Release date: | 2012-05-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Co-Crystalization and in Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3-Thiadiazole Hsp90 Inhibitors. Plos One, 7, 2012
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