4CQE

B-Raf Kinase V600E mutant in complex with a diarylthiazole B-Raf Inhibitor

4CQE の概要

分子名称SLC45A3-BRAF FUSION PROTEIN, N-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide (3 entities in total)
機能のキーワードtransferase, inhibitor complex
由来する生物種HOMO SAPIENS (HUMAN)
ポリマー鎖数2
分子量合計64481.88
構造登録者
主引用文献
Pulici, M.,Traquandi, G.,Marchionni, C.,Modugno, M.,Lupi, R.,Amboldi, N.,Casale, E.,Colombo, N.,Corti, L.,Fasolini, M.,Gasparri, F.,Pastori, W.,Scolaro, A.,Donati, D.,Felder, E.,Galvani, A.,Isacchi, A.,Pesenti, E.,Ciomei, M.
Optimization of Diarylthiazole B-Raf Inhibitors: Identification of a Compound Endowed with High Oral Antitumor Activity, Mitigated Herg Inhibition, and Low Paradoxical Effect.
Chemmedchem, 10:276-, 2015
PubMed: 25430902 (主引用文献が同じPDBエントリー)
DOI: 10.1002/CMDC.201402424
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.3 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.25012 0.8% 8.0% 4.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
検証レポート(詳細版)をダウンロード