2026-03-21_00000170
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ligand
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9R8F
CTX-M-14 complexes with 3D Boron Heterocycles synthetized via EnT Catalysis;
X-ray diffraction 1.40Å
Protein #1
262 residues (100% resolved)
Raw Sequence ...
ETSAVQQKLAALEKSSGGRLGVALIDTADNTQVLYRGDERFPMCSTSKVMAAAAVLKQSETQKQLLNQPVEIKPADLVNYNPIAEKHVNGTMTLAELSAAALQYSDNTAMNKLIAQLGGPGGVTAFARAIGDETFRLDRTEPTLNTAIPGDPRDTTTPRAMAQTLRQLTLGHALGETQRAQLVTWLKGNTTGAASIRAGLPTSWTVGDKTGSGDYGTTNDIAVIWPQGRAPLVLVTYFTQPQQNAESRRDVLASAARIIAEG
Canonical Sequence ...
ETSAVQQKLAALEKSSGGRLGVALIDTADNTQVLYRGDERFPMCSTSKVMAAAAVLKQSETQKQLLNQPVEIKPADLVNYNPIAEKHVNGTMTLAELSAAALQYSDNTAMNKLIAQLGGPGGVTAFARAIGDETFRLDRTEPTLNTAIPGDPRDTTTPRAMAQTLRQLTLGHALGETQRAQLVTWLKGNTTGAASIRAGLPTSWTVGDKTGSGDYGTTNDIAVIWPQGRAPLVLVTYFTQPQQNAESRRDVLASAARIIAEG
Non polymer #2
A1JDI
InChI=1S/C11H9BFNO2/c13-8-2-1-3-9-11(8)10-6(5-14)4-7(10)12(15)16-9/h1-3,6-7,10,15H,4H2/t6-,7+,10-/m0/s1
InChI=1S/C11H9BFNO2/c13-8-2-1-3-9-11(8)10-6(5-14)4-7(10)12(15)16-9/h1-3,6-7,10,15H,4H2/t6-,7+,10-/m0/s1
SMILES: B1([C@@H]2C[C@H]([C@@H]2c3c(cccc3F)O1)C#N)O
B1([C@@H]2C[C@H]([C@@H]2c3c(cccc3F)O1)C#N)O
Biounit #1
monomer
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Model
Reference
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