1GJR
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![BU of 1gjr by Molmil](/molmil-images/mine/1gjr) | Ferredoxin-NADP+ Reductase complexed with NADP+ by COCRYSTALLIZATION | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 2001-08-01 | Release date: | 2002-06-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanism of Coenzyme Recognition and Binding Revealed by Crystal Structure Analysis of Ferredoxin-Nadp(+) Reductase Complexed with Nadp(+) J.Mol.Biol., 319, 2002
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1GKK
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![BU of 1gkk by Molmil](/molmil-images/mine/1gkk) | Feruloyl esterase domain of XynY from clostridium thermocellum | Descriptor: | CADMIUM ION, ENDO-1,4-BETA-XYLANASE Y, GLYCEROL | Authors: | Prates, J.A.M, Tarbouriech, N, Charnock, S.J, Fontes, C.M.G.A, Ferreira, L.M.A, Davies, G.J. | Deposit date: | 2001-08-15 | Release date: | 2001-12-13 | Last modified: | 2011-09-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Structure of the Feruloyl Esterase Module of Xylanase 10B from Clostridium Thermocellum Provides Insights Into Substrate Recognition Structure, 9, 2001
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1G9O
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![BU of 1g9o by Molmil](/molmil-images/mine/1g9o) | FIRST PDZ DOMAIN OF THE HUMAN NA+/H+ EXCHANGER REGULATORY FACTOR | Descriptor: | NHE-RF | Authors: | Karthikeyan, S, Leung, T, Birrane, G, Webster, G, Ladias, J.A.A. | Deposit date: | 2000-11-26 | Release date: | 2001-05-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the PDZ1 domain of human Na(+)/H(+) exchanger regulatory factor provides insights into the mechanism of carboxyl-terminal leucine recognition by class I PDZ domains. J.Mol.Biol., 308, 2001
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3TUL
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![BU of 3tul by Molmil](/molmil-images/mine/3tul) | Crystal structure of N-terminal region of Type III Secretion Major Translocator SipB (residues 82-226) | Descriptor: | Cell invasion protein sipB | Authors: | Barta, M.L, Dickenson, N.E, Patel, M, Keightley, J.A, Picking, W.D, Picking, W.L, Geisbrecht, B.V. | Deposit date: | 2011-09-16 | Release date: | 2012-02-15 | Last modified: | 2012-03-28 | Method: | X-RAY DIFFRACTION (2.793 Å) | Cite: | The Structures of Coiled-Coil Domains from Type III Secretion System Translocators Reveal Homology to Pore-Forming Toxins. J.Mol.Biol., 417, 2012
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1IPW
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![BU of 1ipw by Molmil](/molmil-images/mine/1ipw) | |
2XJJ
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![BU of 2xjj by Molmil](/molmil-images/mine/2xjj) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE, GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-07-06 | Release date: | 2010-08-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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2XK2
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![BU of 2xk2 by Molmil](/molmil-images/mine/2xk2) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-07-07 | Release date: | 2010-09-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. J.Med.Chem., 53, 2010
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2XHT
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![BU of 2xht by Molmil](/molmil-images/mine/2xht) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | (3-TERT-BUTYL-4-HYDROXYPHENYL)MORPHOLIN-4-YL-METHANONE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-06-21 | Release date: | 2010-09-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. J.Med.Chem., 53, 2010
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2XDX
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![BU of 2xdx by Molmil](/molmil-images/mine/2xdx) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, O'Brien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-05-10 | Release date: | 2010-09-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. J.Med.Chem., 53, 2010
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2XJX
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![BU of 2xjx by Molmil](/molmil-images/mine/2xjx) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, Onalespib | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-07-06 | Release date: | 2010-08-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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2Y6M
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![BU of 2y6m by Molmil](/molmil-images/mine/2y6m) | |
4BAE
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![BU of 4bae by Molmil](/molmil-images/mine/4bae) | Optimisation of pyrroleamides as mycobacterial GyrB ATPase inhibitors: Structure Activity Relationship and in vivo efficacy in the mouse model of tuberculosis | Descriptor: | 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid, CALCIUM ION, DNA GYRASE SUBUNIT B, ... | Authors: | Read, J.A, Gingell, H.G, Madhavapeddi, P. | Deposit date: | 2012-09-13 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Optimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis. Antimicrob.Agents Chemother., 58, 2014
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2YFU
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![BU of 2yfu by Molmil](/molmil-images/mine/2yfu) | CBM62 FROM CLOSTRIDIUM THERMOCELLUM XYL5A | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL | Authors: | Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, Basle, A, Mckee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J. | Deposit date: | 2011-04-08 | Release date: | 2011-05-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization. J.Biol.Chem., 286, 2011
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2YPJ
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![BU of 2ypj by Molmil](/molmil-images/mine/2ypj) | Non-catalytic carbohydrate binding module CBM65B | Descriptor: | ENDOGLUCANASE CEL5A, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Luis, A.S, Venditto, I, Prates, J.A.M, Ferreira, L.M.A, Temple, M.J, Rogowski, A, Basle, A, Xue, J, Knox, J.P, Gilbert, H.J, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2012-10-30 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Understanding How Non-Catalytic Carbohydrate Binding Modules Can Display Specificity for Xyloglucan J.Biol.Chem., 288, 2013
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3O4L
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![BU of 3o4l by Molmil](/molmil-images/mine/3o4l) | Genetic and structural basis for selection of a ubiquitous T cell receptor deployed in Epstein-Barr virus | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BSLF2/BMLF1 protein, Beta-2-microglobulin, ... | Authors: | Miles, J.J, Bulek, A.M, Cole, D.K, Gostick, E, Schauenburg, J.A, Dolton, G, Venturi, V, Davenport, M.P, Tan, M.P, Burrows, S.R, Wooldridge, L, Price, D.A, Rizkallah, P.J, Sewell, A.K. | Deposit date: | 2010-07-27 | Release date: | 2011-01-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Genetic and structural basis for selection of a ubiquitous T cell receptor deployed in Epstein-Barr virus infection. Plos Pathog., 6, 2010
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2YG0
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![BU of 2yg0 by Molmil](/molmil-images/mine/2yg0) | CBM62 FROM CLOSTRIDIUM THERMOCELLUM XYL5A | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL, ... | Authors: | Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, Basle, A, Mckee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J. | Deposit date: | 2011-04-11 | Release date: | 2011-05-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization. J.Biol.Chem., 286, 2011
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2YFZ
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![BU of 2yfz by Molmil](/molmil-images/mine/2yfz) | CBM62 FROM CLOSTRIDIUM THERMOCELLUM XYL5A | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL, ... | Authors: | Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, Basle, A, Mckee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J. | Deposit date: | 2011-04-11 | Release date: | 2011-05-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization. J.Biol.Chem., 286, 2011
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3P8R
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![BU of 3p8r by Molmil](/molmil-images/mine/3p8r) | CRYSTAL STRUCTURE OF POLYPRENYL SYNTHASE FROM Vibrio cholerae | Descriptor: | Geranyltranstransferase | Authors: | Patskovsky, Y, Toro, R, Dickey, M, Sauder, J.M, Burley, S.K, Poulter, C.D, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-10-14 | Release date: | 2010-10-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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3P41
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![BU of 3p41 by Molmil](/molmil-images/mine/3p41) | Crystal structure of polyprenyl synthetase from pseudomonas fluorescens pf-5 complexed with magnesium and isoprenyl pyrophosphate | Descriptor: | CHLORIDE ION, DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, ... | Authors: | Patskovsky, Y, Toro, R, Sauder, J.M, Burley, S.K, Poulter, C.D, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-10-05 | Release date: | 2010-10-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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2YB7
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![BU of 2yb7 by Molmil](/molmil-images/mine/2yb7) | CBM62 in complex with 6-alpha-D-Galactosyl-mannotriose | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL, ... | Authors: | Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, McKee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J. | Deposit date: | 2011-03-02 | Release date: | 2011-08-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization. J.Biol.Chem., 286, 2011
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2WZE
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![BU of 2wze by Molmil](/molmil-images/mine/2wze) | High resolution crystallographic structure of the Clostridium thermocellum N-terminal endo-1,4-beta-D-xylanase 10B (Xyn10B) CBM22-1- GH10 modules complexed with xylohexaose | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-XYLANASE Y, GLYCEROL, ... | Authors: | Najmudin, S, Pinheiro, B.A, Romao, M.J, Prates, J.A.M, Fontes, C.M.G.A. | Deposit date: | 2009-11-27 | Release date: | 2010-08-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Putting an N-Terminal End to the Clostridium Thermocellum Xylanase Xyn10B Story: Crystal Structure of the Cbm22-1-Gh10 Modules Complexed with Xylohexaose. J.Struct.Biol., 172, 2010
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2WYS
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![BU of 2wys by Molmil](/molmil-images/mine/2wys) | High resolution crystallographic structure of the Clostridium thermocellum N-terminal endo-1,4-beta-D-xylanase 10B (Xyn10B) CBM22-1- GH10 modules complexed with xylohexaose | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-XYLANASE Y, PHOSPHATE ION, ... | Authors: | Najmudin, S, Pinheiro, B.A, Romao, M.J, Prates, J.A.M, Fontes, C.M.G.A. | Deposit date: | 2009-11-20 | Release date: | 2010-08-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Putting an N-Terminal End to the Clostridium Thermocellum Xylanase Xyn10B Story: Crystal Structure of the Cbm22-1-Gh10 Modules Complexed with Xylohexaose. J.Struct.Biol., 172, 2010
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2XHX
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![BU of 2xhx by Molmil](/molmil-images/mine/2xhx) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 2-TERT-BUTYL-4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)PHENOL, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-06-21 | Release date: | 2010-09-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. J.Med.Chem., 53, 2010
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2XHR
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![BU of 2xhr by Molmil](/molmil-images/mine/2xhr) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 4-CHLORO-6-[2,4-DICHLORO-5-(2-MORPHOLIN-4-YLETHOXY)PHENYL]PYRIMIDIN-2-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-06-21 | Release date: | 2010-09-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. J.Med.Chem., 53, 2010
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3Q2Q
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![BU of 3q2q by Molmil](/molmil-images/mine/3q2q) | Crystal structure of geranylgeranyl pyrophosphate synthase from Corynebacterium glutamicum complexed with calcium and isoprenyl diphosphate | Descriptor: | CALCIUM ION, DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, ... | Authors: | Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Poulter, C.D, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-12-20 | Release date: | 2011-01-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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