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Structure paper

TitleCrystallographic determination of the structures of human alpha-thrombin complexed with BMS-186282 and BMS-189090.
Journal, issue, pagesProtein Sci., Vol. 5, Page 221-228, Year 1996
Publish dateNov 14, 1995 (structure data deposition date)
AuthorsMalley, M.F. / Tabernero, L. / Chang, C.Y. / Ohringer, S.L. / Roberts, D.G. / Das, J. / Sack, J.S.
External linksPubMed:8745399
MethodsX-ray diffraction
Resolution2.6 - 2.8 Å
Structure data

PDB-1bmm:
HUMAN ALPHA-THROMBIN COMPLEXED WITH [S-(R*,R*)]-4-[(AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY-2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE (BMS-186282)
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-1bmn:
HUMAN ALPHA-THROMBIN COMPLEXED WITH [S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXAMIDE (BMS-189090)
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-BM2:
S-(R*,R*)]-4-[AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY -2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL]

ChemComp-HOH:
WATER

ChemComp-BM9:
[S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-3-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXA

Source
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / SERINE PROTEASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / HYDROLASE / COMPLEX (SERINE PROTEASE-INHIBITOR)

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