6NJI

Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-49

6NJI の概要

分子名称cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ... (5 entities in total)
機能のキーワードpde4d, camp-specific 3'5'-cyclic phosphodiesterase 4d, ucr2, camp, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
由来する生物種Homo sapiens (Human)
ポリマー鎖数2
分子量合計86075.2
構造登録者
Fox III, D.,Fairman, J.W.,Gurney, M.E. (登録日: 2019-01-03, 公開日: 2019-05-08, 最終更新日: 2019-06-05)
主引用文献
Gurney, M.E.,Nugent, R.A.,Mo, X.,Sindac, J.A.,Hagen, T.J.,Fox III, D.,O'Donnell, J.M.,Zhang, C.,Xu, Y.,Zhang, H.T.,Groppi, V.E.,Bailie, M.,White, R.E.,Romero, D.L.,Vellekoop, A.S.,Walker, J.R.,Surman, M.D.,Zhu, L.,Campbell, R.F.
Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62:4884-4901, 2019
PubMed: 31013090 (主引用文献が同じPDBエントリー)
DOI: 10.1021/acs.jmedchem.9b00193
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.45 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2233 0.3% 1.3% 0.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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