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Structure paper

TitleIdentification of KLHL12 Ligands Using Fragment-Based Methods.
Journal, issue, pagesJ. Med. Chem., Vol. 69, Page 7709-7731, Year 2026
Publish dateSep 11, 2025 (structure data deposition date)
AuthorsWaterson, A.G. / Vadukoot, A. / Jana, S. / Cui, J. / Luong, K. / Rietz, T.A. / Madrigal-Carrillo, E.A. / Lehmann, B.D. / Sensintaffar, J.L. / Zhao, B. ...Waterson, A.G. / Vadukoot, A. / Jana, S. / Cui, J. / Luong, K. / Rietz, T.A. / Madrigal-Carrillo, E.A. / Lehmann, B.D. / Sensintaffar, J.L. / Zhao, B. / Amporndanai, K. / Petros, Z.A. / Scaggs, W.R. / Chacon Simon, S. / Vekariya, R.H. / Kim, K. / Thangaraj, M. / Christov, P.P. / South, T.M. / Sai, J. / Thiruvaipati, A. / Schmidt, C.R. / Eells, R. / Moore, W.J. / Olejniczak, E.T. / Phan, J. / Fesik, S.W.
External linksJ. Med. Chem. / PubMed:41906311
MethodsX-ray diffraction
Resolution1.01 - 2.7 Å
Structure data

PDB-9y8j:
Crystal structure of the Kelch domain of human KLHL12 with compound 1
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-9y8k:
Crystal structure of the Kelch domain of human KLHL12 with compound 7k
Method: X-RAY DIFFRACTION / Resolution: 1.27 Å

PDB-9y8l:
Crystal structure of the Kelch domain of human KLHL12 with compound 8e
Method: X-RAY DIFFRACTION / Resolution: 1.27 Å

PDB-9y8m:
Crystal structure of the Kelch domain of human KLHL12 with compound 8i
Method: X-RAY DIFFRACTION / Resolution: 1.334 Å

PDB-9y8n:
Crystal structure of the Kelch domain of human KLHL12 with compound 8m
Method: X-RAY DIFFRACTION / Resolution: 1.308 Å

PDB-9y8o:
Crystal structure of the Kelch domain of human KLHL12 with compound 9c
Method: X-RAY DIFFRACTION / Resolution: 1.286 Å

PDB-9y8q:
Crystal structure of the Kelch domain of human KLHL12 with compound 9e
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-9y8r:
Crystal structure of the Kelch domain of human KLHL12 with compound 9h
Method: X-RAY DIFFRACTION / Resolution: 1.334 Å

PDB-9y8s:
Crystal structure of the Kelch domain of human KLHL12 with compound 9k
Method: X-RAY DIFFRACTION / Resolution: 1.286 Å

PDB-9y8t:
Crystal structure of the Kelch domain of human KLHL12 with compound 10b
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-9y8u:
Crystal structure of the Kelch domain of human KLHL12 with compound 10j
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-9y8v:
Crystal structure of the Kelch domain of human KLHL12 with compound 10q
Method: X-RAY DIFFRACTION / Resolution: 1.271 Å

Chemicals

PDB-1cts:
CRYSTALLOGRAPHIC REFINEMENT AND ATOMIC MODELS OF TWO DIFFERENT FORMS OF CITRATE SYNTHASE AT 2.7 AND 1.7 ANGSTROMS RESOLUTION

PDB-1ctr:
DRUG BINDING BY CALMODULIN: CRYSTAL STRUCTURE OF A CALMODULIN-TRIFLUOPERAZINE COMPLEX

ChemComp-HOH:
WATER

PDB-1ctq:
STRUCTURE OF P21RAS IN COMPLEX WITH GPPNHP AT 100 K

PDB-1cte:
CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN

PDB-1ctl:
STRUCTURE OF THE CARBOXY-TERMINAL LIM DOMAIN FROM THE CYSTEINE RICH PROTEIN CRP

PDB-1ctm:
CRYSTAL STRUCTURE OF CHLOROPLAST CYTOCHROME F REVEALS A NOVEL CYTOCHROME FOLD AND UNEXPECTED HEME LIGATION

PDB-1cto:
NMR STRUCTURE OF THE C-TERMINAL DOMAIN OF THE LIGAND-BINDING REGION OF MURINE GRANULOCYTE COLONY-STIMULATING FACTOR RECEPTOR, MINIMIZED AVERAGE STRUCTURE

ChemComp-GOL:
GLYCEROL

PDB-1ctp:
STRUCTURE OF THE MAMMALIAN CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND AN INHIBITOR PEPTIDE DISPLAYS AN OPEN CONFORMATION

PDB-1ctn:
CRYSTAL STRUCTURE OF A BACTERIAL CHITINASE AT 2.3 ANGSTROMS RESOLUTION

PDB-1ctj:
CRYSTAL STRUCTURE OF CYTOCHROME C6

PDB-1ctk:
Unknown entry

PDB-1ctf:
STRUCTURE OF THE C-TERMINAL DOMAIN OF THE RIBOSOMAL PROTEIN L7/L12 FROM ESCHERICHIA COLI AT 1.7 ANGSTROMS

Source
  • homo sapiens (human)
KeywordsLIGASE / E3 ligase / fragment-based drug discovery / PROTAC

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