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CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR
分子名称:	4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, Carbonic anhydrase II, ZINC ION
著者	Weber, A, Casini, A, Heine, A, Kuhn, D, Supuran, C.T, Scozzafava, A, Klebe, G.
登録日	2003-03-07
公開日	2004-03-23
最終更新日	2023-08-16
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition. J.Med.Chem., 47, 2004

Human TNKS1 in complex with 3-[4-(1-Hydroxy-1-methyl-ethyl)-phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
分子名称:	6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one, ACETATE ION, Poly [ADP-ribose] polymerase, ...
著者	Musil, D, Lehmann, M, Buchstaller, H.-P.
登録日	2021-04-28
公開日	2021-07-28
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.432 Å)
主引用文献	Optimization of a Screening Hit toward M2912, an Oral Tankyrase Inhibitor with Antitumor Activity in Colorectal Cancer Models. J.Med.Chem., 64, 2021

Human TNKS1 in complex with 6,8-Difluoro-2-[4-(1-hydroxy-1-methyl-ethyl)-phenyl]-3H-quinazolin-4-one
分子名称:	6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{H}-quinazolin-4-one, BETA-MERCAPTOETHANOL, Poly [ADP-ribose] polymerase tankyrase-1, ...
著者	Musil, D, Lehmann, D, Buchstaller, H.-P.
登録日	2019-03-08
公開日	2019-08-14
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (1.2 Å)
主引用文献	Discovery and Optimization of 2-Arylquinazolin-4-ones into a Potent and Selective Tankyrase Inhibitor Modulating Wnt Pathway Activity. J.Med.Chem., 62, 2019

Solution structure of the LysM region of the E. coli Intimin periplasmic domain
分子名称:	Intimin
著者	Coles, M, Chaubey, M, Leo, J.C, Linke, D, Schuetz, M.C, Goetz, F, Autenrieth, I.B.
登録日	2014-06-05
公開日	2014-11-12
最終更新日	2024-05-15
実験手法	SOLUTION NMR
主引用文献	The Intimin periplasmic domain mediates dimerisation and binding to peptidoglycan. Mol.Microbiol., 95, 2015