3EJ7
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![BU of 3ej7 by Molmil](/molmil-images/mine/3ej7) | Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity | Descriptor: | Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase, SULFATE ION | Authors: | Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D. | Deposit date: | 2008-09-17 | Release date: | 2008-12-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity. Acta Crystallogr.,Sect.D, 64, 2008
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3ELF
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![BU of 3elf by Molmil](/molmil-images/mine/3elf) | Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase | Descriptor: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Fructose-bisphosphate aldolase, SODIUM ION, ... | Authors: | Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D. | Deposit date: | 2008-09-22 | Release date: | 2009-02-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis J.Mol.Biol., 386, 2009
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3EJ9
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![BU of 3ej9 by Molmil](/molmil-images/mine/3ej9) | Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity | Descriptor: | Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase | Authors: | Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D. | Deposit date: | 2008-09-17 | Release date: | 2008-12-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity. Acta Crystallogr.,Sect.D, 64, 2008
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3EKL
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![BU of 3ekl by Molmil](/molmil-images/mine/3ekl) | Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SODIUM ION, ... | Authors: | Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D. | Deposit date: | 2008-09-19 | Release date: | 2009-02-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis J.Mol.Biol., 386, 2009
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1U4E
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![BU of 1u4e by Molmil](/molmil-images/mine/1u4e) | Crystal Structure of Cytoplasmic Domains of GIRK1 channel | Descriptor: | G protein-activated inward rectifier potassium channel 1 | Authors: | Pegan, S, Arrabit, C, Zhou, W, Kwiatkowski, W, Slesinger, P.A, Choe, S. | Deposit date: | 2004-07-24 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Cytoplasmic domain structures of Kir2.1 and Kir3.1 show sites for modulating gating and rectification Nat.Neurosci., 8, 2005
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1U4F
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![BU of 1u4f by Molmil](/molmil-images/mine/1u4f) | Crystal Structure of Cytoplasmic Domains of IRK1 (Kir2.1) channel | Descriptor: | Inward rectifier potassium channel 2 | Authors: | Pegan, S, Arrabit, C, Zhou, W, Kwiatkowski, W, Slesinger, P.A, Choe, S. | Deposit date: | 2004-07-24 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Cytoplasmic domain structures of Kir2.1 and Kir3.1 show sites for modulating gating and rectification Nat.Neurosci., 8, 2005
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2GIX
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![BU of 2gix by Molmil](/molmil-images/mine/2gix) | Cytoplasmic Domain Structure of Kir2.1 containing Andersen's Mutation R218Q and Rescue Mutation T309K | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Inward rectifier potassium channel 2, POTASSIUM ION | Authors: | Pegan, S, Arrabit, C, Slesinger, P.A, Choe, S. | Deposit date: | 2006-03-29 | Release date: | 2006-07-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Andersen's Syndrome Mutation Effects on the Structure and Assembly of the Cytoplasmic Domains of Kir2.1. Biochemistry, 45, 2006
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3LJP
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![BU of 3ljp by Molmil](/molmil-images/mine/3ljp) | Crystal structure of choline oxidase V464A mutant | Descriptor: | Choline oxidase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE | Authors: | Finnegan, S, Agniswamy, J, Weber, I.T, Giovanni, G. | Deposit date: | 2010-01-26 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Role of valine 464 in the flavin oxidation reaction catalyzed by choline oxidase. Biochemistry, 49, 2010
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3EKZ
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![BU of 3ekz by Molmil](/molmil-images/mine/3ekz) | Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SN-GLYCEROL-3-PHOSPHATE, ... | Authors: | Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D. | Deposit date: | 2008-09-19 | Release date: | 2009-02-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis J.Mol.Biol., 386, 2009
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3EJ3
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![BU of 3ej3 by Molmil](/molmil-images/mine/3ej3) | Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity | Descriptor: | ACETATE ION, Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase, ... | Authors: | Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D. | Deposit date: | 2008-09-17 | Release date: | 2008-12-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity. Acta Crystallogr.,Sect.D, 64, 2008
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4MLO
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![BU of 4mlo by Molmil](/molmil-images/mine/4mlo) | 1.65A resolution structure of ToxT from Vibrio cholerae (P21 Form) | Descriptor: | CHLORIDE ION, PALMITOLEIC ACID, TCP pilus virulence regulatory protein | Authors: | Lovell, S, Wehmeyer, G, Battaile, K.P, Li, J, Egan, S. | Deposit date: | 2013-09-06 | Release date: | 2016-04-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 1.65 angstrom resolution structure of the AraC-family transcriptional activator ToxT from Vibrio cholerae. Acta Crystallogr F Struct Biol Commun, 72, 2016
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6QMQ
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![BU of 6qmq by Molmil](/molmil-images/mine/6qmq) | NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker | Descriptor: | Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma, ... | Authors: | Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S. | Deposit date: | 2019-02-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly. Angew.Chem.Int.Ed.Engl., 58, 2019
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6QMP
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![BU of 6qmp by Molmil](/molmil-images/mine/6qmp) | NF-YB/C Heterodimer in Complex with NF-YA Peptide | Descriptor: | Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma | Authors: | Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S. | Deposit date: | 2019-02-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly. Angew.Chem.Int.Ed.Engl., 58, 2019
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6QMS
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![BU of 6qms by Molmil](/molmil-images/mine/6qms) | NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C11-Hydrocarbon Linker | Descriptor: | Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma | Authors: | Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S. | Deposit date: | 2019-02-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly. Angew.Chem.Int.Ed.Engl., 58, 2019
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2BMC
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![BU of 2bmc by Molmil](/molmil-images/mine/2bmc) | Aurora-2 T287D T288D complexed with PHA-680632 | Descriptor: | (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE, SERINE THREONINE-PROTEIN KINASE 6 | Authors: | Cameron, A.D, Izzo, G, Sagliano, A, Rusconi, L, Storici, P, Fancelli, D, Berta, D, Bindi, S, Catana, C, Forte, B, Giordano, P, Mantegani, S, Meroni, M, Moll, J, Pittala, V, Severino, D, Tonani, R, Varasi, M, Vulpetti, A, Vianello, P. | Deposit date: | 2005-03-11 | Release date: | 2005-03-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Potent and Selective Aurora Inhibitors Identified by the Expansion of a Novel Scaffold for Protein Kinase Inhibition. J.Med.Chem., 48, 2005
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4CWF
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![BU of 4cwf by Molmil](/molmil-images/mine/4cwf) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-02 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4CWN
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![BU of 4cwn by Molmil](/molmil-images/mine/4cwn) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-03 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4CWT
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![BU of 4cwt by Molmil](/molmil-images/mine/4cwt) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-03 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4CWQ
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![BU of 4cwq by Molmil](/molmil-images/mine/4cwq) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-03 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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5UUT
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![BU of 5uut by Molmil](/molmil-images/mine/5uut) | N-myristoyltransferase 1 (NMT) bound to myristoyl-CoA | Descriptor: | CITRIC ACID, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | Authors: | Goodwin, O, Pegan, S. | Deposit date: | 2017-02-17 | Release date: | 2018-01-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Blocking Myristoylation of Src Inhibits Its Kinase Activity and Suppresses Prostate Cancer Progression. Cancer Res., 77, 2017
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4BQG
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![BU of 4bqg by Molmil](/molmil-images/mine/4bqg) | structure of HSP90 with an inhibitor bound | Descriptor: | 5-(3,4-dichloro-phenoxy)-benzene-1,3-diol, HSP90AA1 PROTEIN | Authors: | Casale, E, Brasca, M.G, Mantegani, S, Amboldi, N, Bindi, S, Caronni, D, Ceccarelli, W, Colombo, N, DePonti, A, Donati, D, Ermoli, A, Fachin, G, Felder, E.R, Ferguson, R.D, Fiorelli, C, Guanci, M, Isacchi, A, Pesenti, E, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Fogliatto, G. | Deposit date: | 2013-05-30 | Release date: | 2013-10-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Nms-E973 as Novel, Selective and Potent Inhibitor of Heat Shock Protein 90 (Hsp90). Bioorg.Med.Chem., 21, 2013
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4BQJ
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![BU of 4bqj by Molmil](/molmil-images/mine/4bqj) | structure of HSP90 with an inhibitor bound | Descriptor: | 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Brasca, M.G, Mantegani, S, Amboldi, N, Bindi, S, Caronni, D, Ceccarelli, W, Colombo, N, DePonti, A, Donati, D, Ermoli, A, Fachin, G, Felder, E.R, Ferguson, R.D, Fiorelli, C, Guanci, M, Isacchi, A, Pesenti, E, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Fogliatto, G. | Deposit date: | 2013-05-30 | Release date: | 2013-10-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Nms-E973 as Novel, Selective and Potent Inhibitor of Heat Shock Protein 90 (Hsp90). Bioorg.Med.Chem., 21, 2013
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3E9S
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![BU of 3e9s by Molmil](/molmil-images/mine/3e9s) | |
3NNE
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![BU of 3nne by Molmil](/molmil-images/mine/3nne) | Crystal structure of choline oxidase S101A mutant | Descriptor: | ACETATE ION, Choline oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Wang, Y.-F, Finnegan, S, Yuan, H, Orville, A.M, Weber, I.T, Gadda, G. | Deposit date: | 2010-06-23 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structural and kinetic studies on the Ser101Ala variant of choline oxidase: Catalysis by compromise. Arch.Biochem.Biophys., 501, 2010
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4B7P
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![BU of 4b7p by Molmil](/molmil-images/mine/4b7p) | Structure of HSP90 with NMS-E973 inhibitor bound | Descriptor: | 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Fogliatto, G, Gianellini, L, Brasca, M.G, Casale, E, Ballinari, D, Ciomei, M, Degrassi, A, De Ponti, A, Germani, M, Guanci, M, Paolucci, M, Polucci, P, Russo, M, Sola, F, Valsasina, B, Visco, C, Zuccotto, F, Donati, D, Felder, E, Galvani, A, Pesenti, E, Mantegani, S, Isacchi, A. | Deposit date: | 2012-08-21 | Release date: | 2013-05-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Nms-E973, a Novel Synthetic Inhibitor of Hsp90 with Activity in Models of Drug Resistance to Targeted Agents, Including Intracranial Metastases. Clin.Cancer Res., 19, 2013
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