6Q96

HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 12 AT 1.8A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes

Summary for 6Q96

• Entry DOI: 10.2210/pdb6q96/pdb
• Related: 50C8
• Descriptor: E3 ubiquitin-protein ligase Mdm2, 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, SULFATE ION, ... (4 entities in total)
• Functional Keywords: lead optimization, ligase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 23594.21

Authors

Kallen, J. (deposition date: 2018-12-17, release date: 2019-05-15, Last modification date: 2024-01-24)

• Primary citation: Kallen, J.,Izaac, A.,Chau, S.,Wirth, E.,Schoepfer, J.,Mah, R.,Schlapbach, A.,Stutz, S.,Vaupel, A.,Guagnano, V.,Masuya, K.,Stachyra, T.M.,Salem, B.,Chene, P.,Gessier, F.,Holzer, P.,Furet, P.; Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.; Chemmedchem, 14:1305-1314, 2019; PubMed: 31066983; DOI: 10.1002/cmdc.201900201

Experimental method

X-RAY DIFFRACTION (1.8 Å)