2026-03-21_00000324|ligand|9YKI

Crystal structure of human PIM1 kinase bound with CSH-4044 inhibitor; X-ray diffraction 1.95Å
Protein #1 313 residues (88% resolved)

MLLSKINSLAHLRAAPCNDLHATKLAPGKEKEPLESQYQVGPLLGSGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGELPNGTRVPMEVVLLKKVSSGFSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIRGQVFFRQRVS(SEP)ECQHLIRWCLALRPSDRPTFEEIQNHPWMQDVLLPQETAEIHLHSLSPGPSK

MLLSKINSLAHLRAAPCNDLHATKLAPGKEKEPLESQYQVGPLLGSGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGELPNGTRVPMEVVLLKKVSSGFSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIRGQVFFRQRVSSECQHLIRWCLALRPSDRPTFEEIQNHPWMQDVLLPQETAEIHLHSLSPGPSK
Non polymer #2 A1CXP

InChI=1S/C16H13NO6S/c1-22-12-4-8-14(6-11(12)20)24-16(17-8)15(21)7-3-10(19)13(23-2)5-9(7)18/h3-6,18-20H,1-2H3

COc1cc2c(cc1O)sc(n2)C(=O)c3cc(c(cc3O)OC)O
Non polymer #3 MG

InChI=1S/Mg/q+2

[Mg+2]
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Reference