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Structure paper

TitleDiscovery of GJG057, a Potent and Highly Selective Inhibitor of Leukotriene C4 Synthase.
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 4721-4742, Year 2025
Publish dateJul 8, 2024 (structure data deposition date)
AuthorsThoma, G. / Miltz, W. / Waelchli, R. / Orain, D. / Spanka, C. / Decoret, O. / Wolf, R.M. / Hurley, B. / Cheung, A.K. / Sandham, D.A. ...Thoma, G. / Miltz, W. / Waelchli, R. / Orain, D. / Spanka, C. / Decoret, O. / Wolf, R.M. / Hurley, B. / Cheung, A.K. / Sandham, D.A. / Honda, A. / Tichkule, R. / Chen, X. / Patel, T. / Labbe-Giguere, N. / Tan, K.L. / Springer, C. / Manchester, J. / Culshaw, A.J. / Hunt, P. / Srinivas, H. / Penno, C.A. / Ferrand, S. / Numao, S. / Schopfer, U. / Jager, P. / Wack, N. / Hasler, F. / Urban, B. / Sindelar, M. / Loetscher, P. / Kiffe, M. / Ren, X. / Nicklin, P. / White, K. / Subramanian, K. / Liu, H. / Growcott, E.J. / Rohn, T.A.
External linksJ. Med. Chem. / PubMed:39960261
MethodsX-ray diffraction
Resolution2.24 - 3 Å
Structure data

PDB-9g0u:
Human LTC4 synthase in complex with AZD9898
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-9g0v:
Human LTC4 synthase in complex with compound 1
Method: X-RAY DIFFRACTION / Resolution: 2.784 Å

PDB-9g14:
Human LTC4 synthase in complex with compound 2
Method: X-RAY DIFFRACTION / Resolution: 2.24 Å

PDB-9g1t:
Human LTC4 synthase in complex with compound 5
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-PLM:
PALMITIC ACID

ChemComp-PAM:
PALMITOLEIC ACID

ChemComp-LMT:
DODECYL-BETA-D-MALTOSIDE / detergent*YM

PDB-1ihj:
Crystal Structure of the N-terminal PDZ domain of InaD in complex with a NorpA C-terminal peptide

ChemComp-HOH:
WATER

ChemComp-GSH:
GLUTATHIONE

PDB-1iho:
CRYSTAL APO-STRUCTURE OF PANTOTHENATE SYNTHETASE FROM E. COLI

ChemComp-GOL:
GLYCEROL

PDB-1ihs:
CRYSTAL STRUCTURE OF THE COMPLEX OF HUMAN ALPHA-THROMBIN AND NON-HYDROLYZABLE BIFUNCTIONAL INHIBITORS, HIRUTONIN-2 AND HIRUTONIN-6

PDB-1ih0:
Structure of the C-domain of Human Cardiac Troponin C in Complex with Ca2+ Sensitizer EMD 57033

Source
  • homo sapiens (human)
KeywordsLYASE / LTC4S / Inhibitor

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