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4DBU

Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid

4DBU の概要
エントリーDOI10.2210/pdb4dbu/pdb
関連するPDBエントリー4DBS
分子名称Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, ... (4 entities in total)
機能のキーワードcastrate resistant prostate cancer, akr1c3 selective inhibitor, tim barrel, steroid metabolism, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
由来する生物種Homo sapiens (human)
細胞内の位置Cytoplasm: P42330
タンパク質・核酸の鎖数2
化学式量合計75841.70
構造登録者
Chen, M.,Christianson, D.W.,Winkler, J.D.,Penning, T.M. (登録日: 2012-01-16, 公開日: 2012-03-28, 最終更新日: 2023-09-13)
主引用文献Chen, M.,Adeniji, A.O.,Twenter, B.M.,Winkler, J.D.,Christianson, D.W.,Penning, T.M.
Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22:3492-3497, 2012
Cited by
PubMed: 22507964
DOI: 10.1016/j.bmcl.2012.03.085
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (2.528 Å)
構造検証レポート
Validation report summary of 4dbu
検証レポート(詳細版)ダウンロードをダウンロード

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件を2024-07-17に公開中

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