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5N0M
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BU of 5n0m by Molmil
hPAD4 crystal complex with BB-F-amidine
Descriptor: CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ...
Authors:Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S.
Deposit date:2017-02-03
Release date:2017-05-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
5N0Y
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BU of 5n0y by Molmil
hPAD4 crystal complex with AFM-30a
Descriptor: CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ...
Authors:Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S.
Deposit date:2017-02-03
Release date:2017-05-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
5N0Z
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BU of 5n0z by Molmil
hPAD4 crystal complex with AFM-41a
Descriptor: 2-ethyl-~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxamide, CALCIUM ION, Protein-arginine deiminase type-4, ...
Authors:Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S.
Deposit date:2017-02-03
Release date:2017-05-24
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
5N1B
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BU of 5n1b by Molmil
hPAD4 crystal complex with AFM-14a
Descriptor: CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ...
Authors:Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S.
Deposit date:2017-02-06
Release date:2017-05-24
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
8U4W
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BU of 8u4w by Molmil
The crystal structure of a helical domain deleted PARP1 in complex with isoindolinone based inhibitor.
Descriptor: (4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one, Poly [ADP-ribose] polymerase 1, processed C-terminus
Authors:Marcotte, D.J.
Deposit date:2023-09-11
Release date:2024-03-27
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Discovery of Potent Isoindolinone Inhibitors that Target an Active Conformation of PARP1 Using DNA-Encoded Libraries.
Chemmedchem, 19, 2024

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PDB entries from 2024-07-03

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