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3MNR
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CRYSTAL STRUCTURE OF BENZAMIDE SNX-1321 BOUND TO HSP90
Descriptor:Heat shock protein HSP 90-alpha, 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
Authors:Veal, J.M., Fadden, P., Huang, K.H., Rice, J., Hall, S.E., Haytstead, T.A.
Deposit date:2010-04-22
Release date:2010-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Application of Chemoproteomics to Drug Discovery: Identification of a Clinical Candidate Targeting Hsp90.
Chem.Biol., 17, 2010
3D0B
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CRYSTAL STRUCTURE OF BENZAMIDE TETRAHYDRO-4H-CARBAZOL-4-ONE BOUND TO HSP90
Descriptor:Heat shock protein HSP 90-alpha, 2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide
Authors:Barta, T.E., Veal, J.M., Huang, K.H., Hall, S.H.
Deposit date:2008-05-01
Release date:2008-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery of benzamide tetrahydro-4H-carbazol-4-ones as novel small molecule inhibitors of Hsp90
BIOORG.MED.CHEM.LETT., 18, 2008
3TU7
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HUMAN ALPHA-THROMBIN COMPLEXED WITH N-(METHYLSULFONYL)-D-PHENYLALANYL-N-((1-CARBAMIMIDOYL-4-PIPERIDINYL)METHYL)-L-PROLINAMIDE (BMS-189664)
Descriptor:Prothrombin, Hirudin variant-2, N-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamide
Authors:Malley, M., Sack, J.S.
Deposit date:2011-09-16
Release date:2011-10-12
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular design and structure-activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664.
Bioorg.Med.Chem.Lett., 12, 2002