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PDB: 3 results

9DOL
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BU of 9dol by Molmil
Potent inhibition of the protein arginine deiminases (PAD1-4) by targeting a Ca2+ dependent allosteric binding site
Descriptor: (2S)-2-amino-2-{1-[(5M)-5-(3,5-dichloropyridin-2-yl)isoquinolin-1-yl]piperidin-4-yl}-1-(pyrrolidin-1-yl)ethan-1-one, CALCIUM ION, Protein-arginine deiminase type-2
Authors:Liu, S.
Deposit date:2024-09-19
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Inhibiting peptidylarginine deiminases (PAD1-4) by targeting a Ca 2+ dependent allosteric binding site.
Nat Commun, 16, 2025
9DPZ
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BU of 9dpz by Molmil
Potent inhibition of the protein arginine deiminases (PAD1-4) by targeting a Ca2+ dependent allosteric binding site
Descriptor: (2S)-2-amino-2-{1-[7-(4-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl}-1-(pyrrolidin-1-yl)ethan-1-one, Protein-arginine deiminase type-4, [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone
Authors:Liu, S.
Deposit date:2024-09-23
Release date:2025-05-28
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Inhibiting peptidylarginine deiminases (PAD1-4) by targeting a Ca 2+ dependent allosteric binding site.
Nat Commun, 16, 2025
9DOP
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BU of 9dop by Molmil
Inhibiting peptidylarginine deiminases (PAD1-4) by targeting a Ca2+ dependent allosteric binding site
Descriptor: (2R)-2-amino-2-{1-[(5M)-5-(3,5-dichloropyridin-2-yl)isoquinolin-1-yl]piperidin-4-yl}-1-(pyrrolidin-1-yl)ethan-1-one, CALCIUM ION, Protein-arginine deiminase type-4
Authors:Liu, S.
Deposit date:2024-09-19
Release date:2025-05-28
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Inhibiting peptidylarginine deiminases (PAD1-4) by targeting a Ca 2+ dependent allosteric binding site.
Nat Commun, 16, 2025

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PDB entries from 2025-06-11

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