6V5L

The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22

6V5L の概要

• エントリーDOI: 10.2210/pdb6v5l/pdb
• NMR情報: BMRB: 30694
• 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... (4 entities in total)
• 機能のキーワード: kras, allosteric inhibitor, drug discovery, haddock, transferase-transferase inhibitor complex, signaling protein-inhibitor complex, signaling protein/inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 20047.60

構造登録者

Wang, X.,Gupta, A.K.,Prakash, P.,Putkey, J.P.,Gorfe, A.A. (登録日: 2019-12-04, 公開日: 2019-12-18, 最終更新日: 2023-06-14)

• 主引用文献: Gupta, A.K.,Wang, X.,Pagba, C.V.,Prakash, P.,Putkey, J.P.,Gorfe, A.A.; Multi target ensemble based virtual screening yields novel allosteric KRAS inhibitors at high success rate; Chemical Biology & Drug Design, 94:1441-1456, 2019; PubMed: 30903639; DOI: 10.1111/cbdd

実験手法

SOLUTION NMR