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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2UYW
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![BU of 2uyw by Molmil](/molmil-images/mine/2uyw) | Crystal structure of Xenavidin | Descriptor: | BIOTIN, FORMIC ACID, XENAVIDIN | Authors: | Helppolainen, S.H, Maatta, J.A.E, Airenne, T.T, Johnson, M.S, Kulomaa, M.S, Nordlund, H.R. | Deposit date: | 2007-04-20 | Release date: | 2008-05-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Characteristics of Xenavidin, the First Frog Avidin from Xenopus Tropicalis. Bmc Struct.Biol., 9, 2009
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2C71
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![BU of 2c71 by Molmil](/molmil-images/mine/2c71) | The structure of a family 4 acetyl xylan esterase from Clostridium thermocellum in complex with a magnesium ion. | Descriptor: | GLYCOSIDE HYDROLASE, FAMILY 11:CLOSTRIDIUM CELLULOSOME ENZYME, DOCKERIN TYPE I:POLYSACCHARIDE, ... | Authors: | Taylor, E.J, Turkenburg, P.J, Vincent, F, Brzozowski, A.M, Gloster, T.M, Dupont, C, Shareck, F, Centeno, M.S.J, Prates, J.A.M, Ferreira, L.M.A, Fontes, C.M.G.A, Biely, P, Davies, G.J. | Deposit date: | 2005-11-17 | Release date: | 2006-01-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structure and Activity of Two Metal-Ion Dependent Acetyl Xylan Esterases Involved in Plant Cell-Wall Degradation Reveals a Close Similarity to Peptidoglycan Deacetylases. J.Biol.Chem., 281, 2006
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2B7H
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![BU of 2b7h by Molmil](/molmil-images/mine/2b7h) | Hemoglobin from Cerdocyon thous, a canidae from Brazil, at 2.2 Angstroms resolution | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, hemoglobin alpha chain, ... | Authors: | Esteves, G.F, Silva, V.C, Bloch Jr, C, Medrano, F.J, Barbosa, J.A.R.G, Freitas, S.M. | Deposit date: | 2005-10-04 | Release date: | 2006-09-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure and biophysical characterization of the Cerdocyon thous, a Canidae from Brazil. To be Published
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2XDL
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![BU of 2xdl by Molmil](/molmil-images/mine/2xdl) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 2-METHYL-4-DIETHYLAMIDE-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: | 2010-05-04 | Release date: | 2010-09-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.98 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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2BH4
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![BU of 2bh4 by Molmil](/molmil-images/mine/2bh4) | X-ray structure of the M100K variant of ferric cyt c-550 from Paracoccus versutus determined at 100 K. | Descriptor: | CYTOCHROME C-550, HEME C | Authors: | Worrall, J.A.R, Van Roon, A.-M.M, Ubbink, M, Canters, G.W. | Deposit date: | 2005-01-07 | Release date: | 2005-05-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Effect of Replacing the Axial Methionine Ligand with a Lysine Residue in Cytochrome C-550 from Paracoccus Versutus Assessed by X-Ray Crystallography and Unfolding. FEBS J., 272, 2005
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4ADZ
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![BU of 4adz by Molmil](/molmil-images/mine/4adz) | |
3ZJA
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![BU of 3zja by Molmil](/molmil-images/mine/3zja) | |
4AFM
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![BU of 4afm by Molmil](/molmil-images/mine/4afm) | Structural and biochemical characterization of a novel Carbohydrate Binding Module of endoglucanase Cel5A from Eubacterium cellulosolvens. | Descriptor: | ACETATE ION, ENDOGLUCANASE CEL5A, GLYCEROL | Authors: | Luis, A.S, Venditto, I, Prates, J.A.M, Ferreira, L.M.A, Gilbert, H.J, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2012-01-19 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Understanding How Non-Catalytic Carbohydrate Binding Modules Can Display Specificity for Xyloglucan. J.Biol.Chem., 288, 2013
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2XQO
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![BU of 2xqo by Molmil](/molmil-images/mine/2xqo) | CtCel124: a cellulase from Clostridium thermocellum | Descriptor: | Dockerin type 1, NICKEL (II) ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Carvalho, A.L, Verze, G, Bras, J.L.A, Cartmell, A, Bayer, E.A, Vazana, Y, Correia, M.A.S, Prates, J.A.M, Gilbert, H.J, Fontes, C.M.G.A, Romao, M.J. | Deposit date: | 2010-09-06 | Release date: | 2011-03-02 | Last modified: | 2021-02-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Insights Into a Unique Cellulase Fold and Mechanism of Cellulose Hydrolysis Proc.Natl.Acad.Sci.USA, 108, 2011
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2ERW
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![BU of 2erw by Molmil](/molmil-images/mine/2erw) | |
2VN5
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![BU of 2vn5 by Molmil](/molmil-images/mine/2vn5) | The Clostridium cellulolyticum dockerin displays a dual binding mode for its cohesin partner | Descriptor: | CALCIUM ION, ENDOGLUCANASE A, SCAFFOLDING PROTEIN | Authors: | Pinheiro, B.A, Prates, J.A.M, Proctor, M.R, Gilbert, H.J, Davies, G.J, Money, V.A, Martinez-Fleites, C, Bayer, E.A, Fontes, C.M.G.A, Fierobe, H.P. | Deposit date: | 2008-01-31 | Release date: | 2008-05-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Clostridium Cellulolyticum Dockerin Displays a Dual Binding Mode for its Cohesin Partner. J.Biol.Chem., 283, 2008
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4AEM
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![BU of 4aem by Molmil](/molmil-images/mine/4aem) | Structural and biochemical characterization of a novel Carbohydrate Binding Module of endoglucanase Cel5A from Eubacterium cellulosolvens | Descriptor: | ENDOGLUCANASE CEL5A | Authors: | Luis, A.S, Venditto, I, Prates, J.A.M, Ferreira, L.M.A, Gilbert, H.J, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2012-01-11 | Release date: | 2013-01-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Understanding How Non-Catalytic Carbohydrate Binding Modules Can Display Specificity for Xyloglucan J.Biol.Chem., 288, 2013
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2WAO
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![BU of 2wao by Molmil](/molmil-images/mine/2wao) | Structure of a family two carbohydrate esterase from Clostridium thermocellum in complex with cellohexaose | Descriptor: | ENDOGLUCANASE E, FORMIC ACID, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J. | Deposit date: | 2009-02-10 | Release date: | 2009-10-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions. Plos Biol., 7, 2009
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2F3C
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![BU of 2f3c by Molmil](/molmil-images/mine/2f3c) | Crystal structure of infestin 1, a Kazal-type serineprotease inhibitor, in complex with trypsin | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | Authors: | Campos, I.T.N, Tanaka, A.S, Barbosa, J.A.R.G. | Deposit date: | 2005-11-20 | Release date: | 2006-12-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Kazal-type inhibitors infestins 1 and 4 differ in specificity but are similar in three-dimensional structure. Acta Crystallogr.,Sect.D, 68, 2012
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2FBD
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![BU of 2fbd by Molmil](/molmil-images/mine/2fbd) | The crystallographic structure of the digestive lysozyme 1 from Musca domestica at 1.90 Ang. | Descriptor: | DI(HYDROXYETHYL)ETHER, Lysozyme 1, SULFATE ION | Authors: | Cancado, F.C, Marana, S.R, Barbosa, J.A.R.G. | Deposit date: | 2005-12-09 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallization, data collection and phasing of two digestive lysozymes from Musca domestica. Acta Crystallogr.,Sect.F, 62, 2006
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2XYU
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![BU of 2xyu by Molmil](/molmil-images/mine/2xyu) | Crystal structure of EphA4 kinase domain in complex with VUF 12058 | Descriptor: | 5-(5-FLUORO-2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[3,4-C]ISOQUINOLIN-1-AMINE, EPHRIN TYPE-A RECEPTOR 4,, GLYCEROL | Authors: | Farenc, C.J.A, Celie, P.H.N, vanLinden, O.P.J, Siegal, G. | Deposit date: | 2010-11-19 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.117 Å) | Cite: | Fragment Based Lead Discovery of Small Molecule Inhibitors for the Epha4 Receptor Tyrosine Kinase. Eur.J.Med.Chem., 47, 2012
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4ARG
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![BU of 4arg by Molmil](/molmil-images/mine/4arg) | Structure of the immature retroviral capsid at 8A resolution by cryo- electron microscopy | Descriptor: | M-PMV DPRO CANC PROTEIN | Authors: | Bharat, T.A.M, Davey, N.E, Ulbrich, P, Riches, J.D, Marco, A.D, Rumlova, M, Sachse, C, Ruml, T, Briggs, J.A.G. | Deposit date: | 2012-04-23 | Release date: | 2012-05-30 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Structure of the Immature Retroviral Capsid at 8A Resolution by Cryo-Electron Microscopy. Nature, 487, 2012
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2F9S
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![BU of 2f9s by Molmil](/molmil-images/mine/2f9s) | 2nd Crystal Structure Of A Soluble Domain Of ResA In The Oxidised Form | Descriptor: | Thiol-disulfide oxidoreductase resA | Authors: | Colbert, C.L, Wu, Q, Erbel, P.J.A, Gardner, K.H, Deisenhofer, J. | Deposit date: | 2005-12-06 | Release date: | 2006-04-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Mechanism of substrate specificity in Bacillus subtilis ResA, a thioredoxin-like protein involved in cytochrome c maturation Proc.Natl.Acad.Sci.USA, 103, 2006
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2Y3N
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![BU of 2y3n by Molmil](/molmil-images/mine/2y3n) | Type II cohesin-dockerin domain from Bacteroides cellolosolvens | Descriptor: | CALCIUM ION, CELLULOSOMAL FAMILY-48 PROCESSIVE GLYCOSIDE HYDROLASE, CELLULOSOMAL SCAFFOLDIN | Authors: | Viegas, A, Carvalho, A.L, Romao, M.J, Prates, J.A.M, Fontes, C.M.G.A. | Deposit date: | 2010-12-22 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Type II Cohesin-Dockerin Domain from Bacteroides Cellolosolvens To be Published
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2XJG
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![BU of 2xjg by Molmil](/molmil-images/mine/2xjg) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-4-METHOXY-5-PROPAN-2-YL-PHENYL)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, B, 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 (2.25 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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2XDS
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![BU of 2xds by Molmil](/molmil-images/mine/2xds) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 1-CHLORO-4-METHYLPHTHALAZINE, DIMETHYL SULFOXIDE, 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: | 2010-05-07 | Release date: | 2010-09-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.97 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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2XDU
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![BU of 2xdu by Molmil](/molmil-images/mine/2xdu) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 1-CHLORO-4-METHYLPHTHALAZINE, DIMETHYL SULFOXIDE, 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: | 2010-05-07 | Release date: | 2010-09-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 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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