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TitleOptimizing the Antibiotic Potency and Metabolic Stability of Pyridomycin Using a Semisynthetic Approach.
Journal, issue, pagesJ. Med. Chem., Vol. 69, Page 2496-2508, Year 2026
Publish dateJun 12, 2025 (structure data deposition date)
AuthorsValderrama, K. / Horlacher, O. / Publicola, G. / Eisenring, P. / Kienle, M. / Boarbi, S. / Kiass, M. / Kordulakova, J. / Chatagnon, J. / Piveteau, C. ...Valderrama, K. / Horlacher, O. / Publicola, G. / Eisenring, P. / Kienle, M. / Boarbi, S. / Kiass, M. / Kordulakova, J. / Chatagnon, J. / Piveteau, C. / Leroux, F. / Savkova, K. / Zahorszka, M. / Cantrelle, F.X. / Lherbet, C. / Mourey, L. / Mikusova, K. / Mathys, V. / Aichholz, R. / Maveyraud, L. / Altmann, K.H. / Hartkoorn, R.C.
External linksJ. Med. Chem. / PubMed:41591406
MethodsX-ray diffraction
Resolution1.658 - 2.497 Å
Structure data

PDB-9rjg:
Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin (compound 1)
Method: X-RAY DIFFRACTION / Resolution: 1.711 Å

PDB-9rjh:
Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin-derivative KV26a (compound 4)
Method: X-RAY DIFFRACTION / Resolution: 1.712 Å

PDB-9rji:
Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin-derivative KV29a (compound 5)
Method: X-RAY DIFFRACTION / Resolution: 1.766 Å

PDB-9rjj:
Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV37a (compound 9)
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-9rjk:
Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV41a (compound 11)
Method: X-RAY DIFFRACTION / Resolution: 1.658 Å

PDB-9rjl:
Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV35a (compound 12)
Method: X-RAY DIFFRACTION / Resolution: 1.699 Å

PDB-9rjm:
Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative EP196 (compound 13)
Method: X-RAY DIFFRACTION / Resolution: 1.986 Å

PDB-9rjn:
Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV32a (compound 14)
Method: X-RAY DIFFRACTION / Resolution: 2.497 Å

PDB-9rjp:
Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV25a (compound 15)
Method: X-RAY DIFFRACTION / Resolution: 2.145 Å

Chemicals

ChemComp-PYW:
Pyridomycin

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-HOH:
WATER

PDB-1jgw:
Photosynthetic Reaction Center Mutant With Thr M 21 Replaced With Leu

PDB-1jg1:
Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with S-ADENOSYL-L-HOMOCYSTEINE

PDB-1jg0:
Crystal structure of Escherichia coli thymidylate synthase complexed with 2'-deoxyuridine-5'-monophosphate and N,O-didansyl-L-tyrosine

PDB-1jg3:
Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with adenosine & VYP(ISP)HA substrate

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

PDB-1jgy:
Photosynthetic Reaction Center Mutant With Tyr M 76 Replaced With Phe

PDB-1jgx:
Photosynthetic Reaction Center Mutant With Thr M 21 Replaced With Asp

PDB-1jgz:
Photosynthetic Reaction Center Mutant With Tyr M 76 Replaced With Lys

PDB-1jg2:
Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with adenosine

Source
  • mycobacterium tuberculosis (bacteria)
  • mycobacterium tuberculosis '98-r604 inh-rif-em' (bacteria)
KeywordsOXIDOREDUCTASE / InhA mycobacterium tuberculosis pyridomycin complex inhibitor / InhA mycobacterium tuberculosis pyridomycin derivative KV26a complex inhibitor / InhA mycobacterium tuberculosis pyridomycin derivative KV29a complex inhibitor / InhA mycobacterium tuberculosis pyridomycin derivative complex inhibitor

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