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3B1U
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BU of 3b1u by Molmil
Crystal structure of human peptidylarginine deiminase 4 in complex with o-F-amidine
Descriptor: 2-{[(2S)-1-amino-5-{[(1Z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Protein-arginine deiminase type-4, ...
Authors:Causey, C.P, Jones, J.E, Slack, J.L, Kamei, D, Jones Jr, L.E, Subramanian, V, Knuckley, B, Ebrahimi, P, Chumanevich, A.A, Luo, Y, Hashimoto, H, Shimizu, T, Sato, M, Hofseth, L.J, Thompson, P.R.
Deposit date:2011-07-13
Release date:2011-10-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Development of N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine Amide (o-F-amidine) and N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine Amide (o-Cl-amidine) As Second Generation Protein Arginine Deiminase (PAD) Inhibitors
J.Med.Chem., 54, 2011
3B1T
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BU of 3b1t by Molmil
Crystal structure of human peptidylarginine deiminase 4 in complex with o-Cl-amidine
Descriptor: 2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Protein-arginine deiminase type-4, ...
Authors:Causey, C.P, Jones, J.E, Slack, J.L, Kamei, D, Jones Jr, L.E, Subramanian, V, Knuckley, B, Ebrahimi, P, Chumanevich, A.A, Luo, Y, Hashimoto, H, Shimizu, T, Sato, M, Hofseth, L.J, Thompson, P.R.
Deposit date:2011-07-13
Release date:2011-10-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Development of N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine Amide (o-F-amidine) and N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine Amide (o-Cl-amidine) As Second Generation Protein Arginine Deiminase (PAD) Inhibitors
J.Med.Chem., 54, 2011
4DKT
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BU of 4dkt by Molmil
Crystal structure of human peptidylarginine deiminase 4 in complex with N-acetyl-L-threonyl-L-alpha-aspartyl-N5-[(1E)-2-fluoroethanimidoyl]-L-ornithinamide
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Protein-arginine deiminase type-4, ...
Authors:Jones, J.E, Slack, J.L, Fang, P, Zhang, X, Subramanian, V, Causey, C.P, Coonrod, S.A, Guo, M, Thompson, P.R.
Deposit date:2012-02-04
Release date:2012-02-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Synthesis and Screening of a Haloacetamidine Containing Library To Identify PAD4 Selective Inhibitors.
Acs Chem.Biol., 7, 2012
3HVM
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BU of 3hvm by Molmil
Agmatine Deiminase from Helicobacter pylori
Descriptor: AGMATINE DEIMINASE
Authors:Jones, J, Lovelace, L, Lebioda, L, Thompson, P.
Deposit date:2009-06-16
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization and inactivation of an agmatine deiminase from Helicobacter pylori.
Bioorg.Chem., 38, 2010

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