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TitleDiscovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 1889-1903, Year 2021
Publish dateNov 3, 2020 (structure data deposition date)
AuthorsMarkert, C. / Thoma, G. / Srinivas, H. / Bollbuck, B. / Luond, R.M. / Miltz, W. / Walchli, R. / Wolf, R. / Hinrichs, J. / Bergsdorf, C. ...Markert, C. / Thoma, G. / Srinivas, H. / Bollbuck, B. / Luond, R.M. / Miltz, W. / Walchli, R. / Wolf, R. / Hinrichs, J. / Bergsdorf, C. / Azzaoui, K. / Penno, C.A. / Klein, K. / Wack, N. / Jager, P. / Hasler, F. / Beerli, C. / Loetscher, P. / Dawson, J. / Wieczorek, G. / Numao, S. / Littlewood-Evans, A. / Rohn, T.A.
External linksJ. Med. Chem. / PubMed:33592148
MethodsX-ray diffraction
Resolution1.79 - 1.95 Å
Structure data

PDB-7auz:
LTA4 hydrolase in complex with compound LYS006
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7av0:
LTA4 hydrolase in complex with compound R(13)
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7av1:
LTA4 hydrolase in complex with fragment2
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-7av2:
LTA4 hydrolase in complex with fragment1
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-YB:
YTTERBIUM (III) ION

ChemComp-IMD:
IMIDAZOLE

ChemComp-RZE:
(3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid

ChemComp-HOH:
WATER

ChemComp-RZB:
(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid

ChemComp-RZK:
2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine

ChemComp-RZN:
(4-phenoxyphenyl)methanol

Source
  • homo sapiens (human)
KeywordsHYDROLASE / inhibitor / complex

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