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3TU7

Human alpha-thrombin complexed with N-(methylsulfonyl)-D-phenylalanyl-N-((1-carbamimidoyl-4-piperidinyl)methyl)-l-prolinamide (BMS-189664)

Summary for 3TU7
Entry DOI10.2210/pdb3tu7/pdb
Related PRD IDPRD_000811
DescriptorProthrombin, Hirudin variant-2, N-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamide, ... (5 entities in total)
Functional Keywordsserine protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
More
Cellular locationSecreted, extracellular space: P00734 P00734
Secreted: P09945
Total number of polymer chains3
Total formula weight35903.86
Authors
Malley, M.,Sack, J.S. (deposition date: 2011-09-16, release date: 2011-10-12, Last modification date: 2012-12-12)
Primary citationDas, J.,Kimball, S.D.,Hall, S.E.,Han, W.C.,Iwanowicz, E.,Lin, J.,Moquin, R.V.,Reid, J.A.,Sack, J.S.,Malley, M.F.,Chang, C.Y.,Chong, S.,Wang-Iverson, D.B.,Roberts, D.G.,Seiler, S.M.,Schumacher, W.A.,Ogletree, M.L.
Molecular design and structure-activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664.
Bioorg.Med.Chem.Lett., 12:45-49, 2002
Cited by
PubMed: 11738570
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.49 Å)
Structure validation

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