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PDB: 20 results

8JNY
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BU of 8jny by Molmil
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
Descriptor: 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, Poly [ADP-ribose] polymerase 2
Authors:Wang, X.Y, Wang, C.Y, Zhou, J, Xu, B.L.
Deposit date:2023-06-06
Release date:2024-06-12
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
To Be Published
8JNZ
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BU of 8jnz by Molmil
Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
Descriptor: 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, Poly [ADP-ribose] polymerase 1, processed C-terminus, ...
Authors:Wang, X.Y, Wang, C.Y, Zhou, J, Xu, B.L.
Deposit date:2023-06-06
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
To Be Published
6LW2
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BU of 6lw2 by Molmil
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
Descriptor: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2020-02-07
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 2020
8W90
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BU of 8w90 by Molmil
crystal structure of CD4-D1D2 with Nb457
Descriptor: NB457, T-cell surface glycoprotein CD4
Authors:Wang, X.Y, Wang, Y.X.
Deposit date:2023-09-04
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure of CD4-D1D2 domain and nanobody Nb457 at 1.78 Angstroms resolution
To Be Published
8HE7
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BU of 8he7 by Molmil
ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Descriptor: 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1, processed C-terminus, ...
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2022-11-07
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis.
J.Med.Chem., 66, 2023
8HE8
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BU of 8he8 by Molmil
Human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Descriptor: 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, GLYCEROL, Poly [ADP-ribose] polymerase 2
Authors:Wang, X.Y, Xu, B.L, Zhou, J.
Deposit date:2022-11-07
Release date:2023-11-08
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis.
J.Med.Chem., 66, 2023
8HKN
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BU of 8hkn by Molmil
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to approved drug Fluzoparib
Descriptor: Fluzoparib, GLYCEROL, Poly [ADP-ribose] polymerase 2
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2022-11-27
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to approved drug Fluzoparib
To Be Published
8HLQ
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BU of 8hlq by Molmil
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Niraparib (MK-4827)
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, GLYCEROL, Poly [ADP-ribose] polymerase 2
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2022-11-30
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Niraparib (MK-4827)
To Be Published
8HLJ
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BU of 8hlj by Molmil
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Olaparib (AZD2281)
Descriptor: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase 2
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2022-11-30
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Olaparib (AZD2281)
To Be Published
8HKO
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BU of 8hko by Molmil
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Rucaparib
Descriptor: GLYCEROL, Poly [ADP-ribose] polymerase 2, Rucaparib
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2022-11-27
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Rucaparib
To Be Published
8HKS
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BU of 8hks by Molmil
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Pamiparib(BGB-290)
Descriptor: (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 2
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2022-11-28
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Pamiparib
To Be Published
8HLR
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BU of 8hlr by Molmil
Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to Fluzoparib (SHR3162)
Descriptor: Fluzoparib, Poly [ADP-ribose] polymerase 1, processed C-terminus, ...
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2022-11-30
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to Fluzoparib (SHR3162)
To Be Published
7EZR
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BU of 7ezr by Molmil
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 5-ethyl-7-nitro-3-[3-oxidanylidene-3-(thiophen-2-ylsulfonylamino)propyl]-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2021-06-01
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
7EZP
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BU of 7ezp by Molmil
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2021-06-01
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
7EZF
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BU of 7ezf by Molmil
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2021-06-01
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
8WUL
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BU of 8wul by Molmil
Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK)
Descriptor: Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen, ...
Authors:Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S.
Deposit date:2023-10-20
Release date:2024-05-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen.
Commun Biol, 7, 2024
8WTE
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BU of 8wte by Molmil
Crystal structure of TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK)
Descriptor: Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen (Fragment), ...
Authors:Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S.
Deposit date:2023-10-18
Release date:2024-05-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen.
Commun Biol, 7, 2024
8KHQ
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BU of 8khq by Molmil
Bifunctional sulfoxide synthase OvoA_Th2 in complex with histidine and cysteine
Descriptor: 5-histidylcysteine sulfoxide synthase/putative 4-mercaptohistidine N1-methyltranferase, COBALT (II) ION, CYSTEINE, ...
Authors:Wang, J, Ye, K, Wang, X.Y, Yan, W.P.
Deposit date:2023-08-22
Release date:2023-12-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Biochemical and Structural Characterization of OvoA Th2 : A Mononuclear Nonheme Iron Enzyme from Hydrogenimonas thermophila for Ovothiol Biosynthesis.
Acs Catalysis, 13, 2023
7WSB
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BU of 7wsb by Molmil
The ternary complex structure of FtmOx1 with a-ketoglutarate and 13-oxo-fumitremorgin B
Descriptor: 13-Oxofumitremorgin B, 2-OXOGLUTARIC ACID, COBALT (II) ION, ...
Authors:Wang, J, Wang, X.Y, Wang, Y.Y, Yan, W.P.
Deposit date:2022-01-28
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Dissecting the Mechanism of the Nonheme Iron Endoperoxidase FtmOx1 Using Substrate Analogues.
Jacs Au, 2, 2022
3BGG
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BU of 3bgg by Molmil
Crystal structure of Human Orotidine 5'-monophosphate Decarboxylase complexed with BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, Uridine 5'-monophosphate synthase
Authors:Liu, Y, Tang, H.L, Wang, X.Y, Kotra, L.P, Pai, E.F.
Deposit date:2007-11-26
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of Human Orotidine 5'-monophosphate Decarboxylase complexed with BMP
To be Published

226707

数据于2024-10-30公开中

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