Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology

Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology Descriptor: (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 Authors: Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. Deposit date: 2020-04-03 Release date: 2020-07-01 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020

本数据集为通过DNA编码文库技术（DNA Encoded Library Technology）筛选得到的人类N-α-乙酰基转移酶50（N-alpha-acetyltransferase 50, Naa50）与乙酰辅酶A（Acetyl COENZYME A, AcCoA）及抑制剂（化合物4b）结合的晶体结构。配体描述：(4S)-1-甲基-N-{(3S,5R)-5-[4-(甲基氨基甲酰基)-1,3-噻唑-2-基]-1-[4-(1H-四唑-5-基)苯甲酰基]吡咯烷-3-基}-2,6-二氧代六氢嘧啶-4-甲酰胺、乙酰辅酶A、N-α-乙酰基转移酶50。作者：Greasley, S.E.、Feng, J.、Deng, Y.-L.、Stewart, A.E.。入库日期：2020-04-03。发布日期：2020-07-01。末次修改日期：2024-03-06。解析方法：X射线衍射法（X-RAY DIFFRACTION），分辨率1.85 Å。引用文献：《利用DNA编码文库技术筛选得到的特异性N-α-乙酰基转移酶50（Naa50）抑制剂的表征》，《ACS医学化学通讯》（Acs Med.Chem.Lett.），2020年，第11卷。