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Structure paper

TitleDesign of potent selective zinc-mediated serine protease inhibitors.
Journal, issue, pagesNature, Vol. 391, Page 608-612, Year 1998
Publish dateJul 21, 1999 (structure data deposition date)
AuthorsKatz, B.A. / Clark, J.M. / Finer-Moore, J.S. / Jenkins, T.E. / Johnson, C.R. / Ross, M.J. / Luong, C. / Moore, W.R. / Stroud, R.M.
External linksNature / PubMed:9468142
MethodsX-ray diffraction
Resolution1.37 - 2.2 Å
Structure data

PDB-1c1n:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-1c1o:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-1c1p:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

PDB-1c1q:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

PDB-1c1r:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

PDB-1c1t:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

PDB-1c1u:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-1c1v:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-1c1w:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-1c2d:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-1c2e:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-1c2f:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-1c2g:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-1c2h:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-1c2i:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

PDB-1c2j:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-1c2k:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-1c2l:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-1c2m:
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-1xuf:
TRYPSIN-BABIM-ZN+2, PH 8.2
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-1xug:
TRYPSIN-BABIM-ZN+2, PH 8.2
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-1xuh:
TRYPSIN-KETO-BABIM-CO+2, PH 8.2
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-1xui:
TRYPSIN-KETO-BABIM, ZN+2-FREE, PH 8.2
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-1xuj:
TRYPSIN-KETO-BABIM-ZN+2, PH 8.2
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-1xuk:
TRYPSIN-BABIM-SULFATE, PH 5.9
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-BEN:
BENZAMIDINE

ChemComp-HOH:
WATER

ChemComp-MG:
Unknown entry

ChemComp-BAI:
(5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-BAB:
BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE

ChemComp-NA:
Unknown entry

ChemComp-BAH:
BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE

ChemComp-BAK:
BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE

ChemComp-CL:
Unknown entry

ChemComp-ABI:
5-AMIDINO-BENZIMIDAZOLE

ChemComp-BAZ:
BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC

ChemComp-CO:
Unknown entry

ChemComp-BAO:
BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE

ChemComp-BOZ:
BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC

Source
  • bos taurus (cattle)
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / ZN(II)-MEDIATED SERINE PROTEASE INHIBITORS / PH DEPENDENCE / ZN(II) AFFINITY STUCTURE-BASED DRUG DESIGN / SERINE PROTEASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / SERINE PROTEASE SERINE PROTEASE/INHIBITOR / SERINE PROTEASE/INHIBITOR / BLOOD CLOTTING/HYDROLASE INHIBITOR / BLOOD CLOTTING-HYDROLASE INHIBITOR COMPLEX / BLOOD CLOTTING / COMPLEX / TRYPSIN-ZN+2-SMALL MOLECULE LIGAND / DESIGNED SMALL MOLECULE LIGAND WITH NANOMOLAR AFFINITY / TRYPSIN-COBALT-SMALL MOLECULE LIGAND / DESIGNED SMALL MOLECULE LIGAND WITH MICROMOLAR AFFINITY / TRYPSIN-SMALL MOLECULE LIGAND / TRYPSIN-SULFATE-SMALL MOLECULE LIGAND

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