9B97
 
 | | Crystal structure of the human PAD2 protein bound to small molecule | | Descriptor: | (1P)-N~3'~-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N~3~,N~3~-diethyl-4-fluoro-5'-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}[1,1'-biphenyl]-3,3'-dicarboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | | Authors: | Byrnes, L.J, Vajdos, F. | | Deposit date: | 2024-04-01 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery, Characterization, and Structure of a Cell Active PAD2 Inhibitor Acting through a Novel Allosteric Mechanism.
Acs Chem.Biol., 2024
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9B98
 | | Crystal structure of the human PAD2 protein bound to small molecule | | Descriptor: | (5P)-N,N-diethyl-2-fluoro-5-(2-[({1-[2-(methylamino)-2-oxoethyl]cyclohexyl}methyl)amino]-6-{methyl[1-(2-methyl-1-phenyl-1H-1,3-benzimidazole-5-carbonyl)piperidin-4-yl]amino}pyrimidin-4-yl)benzamide, ACETATE ION, CALCIUM ION, ... | | Authors: | Byrnes, L.J, Vajdos, F. | | Deposit date: | 2024-04-01 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Discovery, Characterization, and Structure of a Cell Active PAD2 Inhibitor Acting through a Novel Allosteric Mechanism.
Acs Chem.Biol., 2024
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9B96
 | | Crystal structure of the human PAD2 protein bound to inhibitor | | Descriptor: | 1-({(2P)-1-{(1R)-1-(2-bromophenyl)-3-[5-(methanesulfonamido)-2-methylanilino]-3-oxopropyl}-2-[3-(4-chlorophenoxy)phenyl]-1H-1,3-benzimidazol-6-yl}methyl)-N-methyl-D-prolinamide, ACETATE ION, CALCIUM ION, ... | | Authors: | Byrnes, L.J, Vajdos, F. | | Deposit date: | 2024-04-01 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Discovery, Characterization, and Structure of a Cell Active PAD2 Inhibitor Acting through a Novel Allosteric Mechanism.
Acs Chem.Biol., 2024
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