2008年6月10日 · Crystal structures of caspase-3 in complexes with isoquinoline-1,3,4-trione derivatives show that the catalytic cysteine is oxidized to sulfonic acid (-SO (3)H) and isoquinoline-1,3,4-trione derivatives are bound at the dimer interface of caspase-3.

3DEH: Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors

Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors

2008年9月2日 · 3deh: Isoquinoline-1,3,4-trione derivatives inactivate caspase-3 by generation of reactive oxygen species.

3DEH: Crystal Structures Of Caspase-3 With Bound Isoquinoline-1,3,4-trione Derivative Inhibitors. PDB ID: 3DEH Download: MMDB ID: 66478: PDB Deposition Date: 2008/6/10: Updated in MMDB: 2017/11: Experimental Method: x-ray diffraction. Resolution:

2008年10月31日 · We report here the mechanism of caspase-3 inactivation by isoquinoline-1,3,4-trione derivatives. Kinetic analysis indicates the compounds can irreversibly inactivate caspase-3 in a 1,4-dithiothreitol (DTT)- and oxygen-dependent manner, implying that a redox cycle might take place in the inactivation process.

3deh is a 4 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. …

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PDB Entry: 3deh (more details), 2.5 Å PDB Description : crystal structures of caspase-3 with bound isoquinoline-1,3,4-trione derivative inhibitors PDB Compounds : (A:) Caspase-3

2018年11月19日 · 对 caspase-3 与烟酸醛抑制剂与 PDB ID 1RE1、1RHM 和 3DEH 的复合物的晶体结构进行了计算机对接研究，以研究化合物与受体的相互作用。 结果：大多数衍生物对 HeLa 细胞系显示出中等至显着的抗增殖活性。