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5H5M
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BU of 5h5m by Molmil
Crystal structure of HMP-1 M domain
Descriptor: Alpha-catenin-like protein hmp-1
Authors:Kang, H, Bang, I, Weis, W.I, Choi, H.J.
Deposit date:2016-11-08
Release date:2017-03-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional characterization of Caenorhabditis elegans alpha-catenin reveals constitutive binding to beta-catenin and F-actin
J. Biol. Chem., 292, 2017
6NRH
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BU of 6nrh by Molmil
Crystal Structure of human PARP-1 ART domain bound inhibitor UTT63
Descriptor: 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ...
Authors:Langelier, M.F, Pascal, J.M.
Deposit date:2019-01-23
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
6NRJ
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BU of 6nrj by Molmil
Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT93
Descriptor: (2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ...
Authors:Langelier, M.F, Pascal, J.M.
Deposit date:2019-01-23
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
6NRG
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BU of 6nrg by Molmil
Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT57
Descriptor: 2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ...
Authors:Langelier, M.F, Pascal, J.M.
Deposit date:2019-01-23
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
6NRF
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BU of 6nrf by Molmil
Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT103
Descriptor: 2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ...
Authors:Langelier, M.F, Pascal, J.M.
Deposit date:2019-01-23
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
6NRI
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BU of 6nri by Molmil
Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT83
Descriptor: (2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ...
Authors:Langelier, M.F, Pascal, J.M.
Deposit date:2019-01-23
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
6AK1
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BU of 6ak1 by Molmil
Crystal structure of DmoA from Hyphomicrobium sulfonivorans
Descriptor: Dimethyl-sulfide monooxygenase
Authors:Cao, H.Y, Wang, P, Peng, M, Li, C.Y.
Deposit date:2018-08-28
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.284 Å)
Cite:Crystal structure of the dimethylsulfide monooxygenase DmoA from Hyphomicrobium sulfonivorans.
Acta Crystallogr.,Sect.F, 74, 2018
7WJV
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BU of 7wjv by Molmil
Crystal structure of human liver FBPase complexed with an covalent inhibitor
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Cao, H, Huang, Y, Ren, Y, Wan, J.
Deposit date:2022-01-08
Release date:2022-07-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.724 Å)
Cite:N -Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction.
J.Med.Chem., 65, 2022
7F9W
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BU of 7f9w by Molmil
CD25 in complex with Fab
Descriptor: Heavy chain of Fab, Interleukin-2 receptor subunit alpha, Light chain of Fab
Authors:Liu, C.
Deposit date:2021-07-05
Release date:2022-01-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Two novel human anti-CD25 antibodies with antitumor activity inversely related to their affinity and in vitro activity.
Sci Rep, 11, 2021
8G0H
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BU of 8g0h by Molmil
Human PARP1 deltaV687-E688 bound to UKTT5 (compound 10) and to a DNA double strand break.
Descriptor: 2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide, DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*CP*G)-3'), ...
Authors:Rouleau-Turcotte, E, Pascal, J.M.
Deposit date:2023-01-31
Release date:2024-02-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
7CM9
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BU of 7cm9 by Molmil
DMSP lyase DddX
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DMSP lyase, SULFATE ION
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2020-07-25
Release date:2021-05-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:A novel ATP dependent dimethylsulfoniopropionate lyase in bacteria that releases dimethyl sulfide and acryloyl-CoA.
Elife, 10, 2021
9IY2
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BU of 9iy2 by Molmil
Immune complex of HEV-E2s, nAb 8C11 and nAb 8H3
Descriptor: Heavy Chain of mAb 8C11, Heavy Chain of mAb 8H3, Light Chain of mAb 8C11, ...
Authors:Minghua, Z, Lizhi, Z, Ying, G, Shaowei, L.
Deposit date:2024-07-29
Release date:2024-08-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.476 Å)
Cite:Structural basis for the synergetic neutralization of hepatitis E virus by antibody-antibody interaction
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