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PDB: 272 results

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
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
7FCJ
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BU of 7fcj by Molmil
Zebrafish SIGIRR TIR domain mutant - C299S
Descriptor: SIGIRR protein
Authors:Wang, X, Zhou, J.
Deposit date:2021-07-15
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
7FCH
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BU of 7fch by Molmil
IL-18Rbeta TIR domain
Descriptor: Interleukin-18 receptor accessory protein
Authors:Wang, X, Zhou, J.
Deposit date:2021-07-14
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.883 Å)
Cite:Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
7FCL
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BU of 7fcl by Molmil
Zebrafish SIGIRR TIR domain
Descriptor: SIGIRR protein
Authors:Wang, X, Zhou, J.
Deposit date:2021-07-15
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
5WRQ
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BU of 5wrq by Molmil
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Descriptor: 5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide, Poly [ADP-ribose] polymerase 1
Authors:Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
Deposit date:2016-12-03
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
5WS1
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BU of 5ws1 by Molmil
Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
Descriptor: 2-[(3R)-3-azanylpyrrolidin-1-yl]carbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1
Authors:Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
Deposit date:2016-12-04
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
To Be Published
5WTC
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BU of 5wtc by Molmil
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Descriptor: 1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1
Authors:Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
Deposit date:2016-12-11
Release date:2017-01-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
5WS0
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BU of 5ws0 by Molmil
Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
Descriptor: 2-piperazin-1-ylcarbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1
Authors:Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
Deposit date:2016-12-04
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
To Be Published
7YSK
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BU of 7ysk by Molmil
Crystal structure of D-Cysteine desulfhydrase from Pectobacterium atrosepticum
Descriptor: D-Cysteine desulfhydrase
Authors:Zhang, X, Wang, L, Xu, X, Xing, X, Zhou, J.
Deposit date:2022-08-12
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization and structural basis of D-cysteine desulfhydrase from Pectobacterium atrosepticum
Tetrahedron, 2022
7YSL
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BU of 7ysl by Molmil
Crystal structure of D-Cysteine desulfhydrase with a trapped PLP-pyruvate geminal diamine
Descriptor: 1,2-ETHANEDIOL, D-Cysteine desulfhydrase, FORMIC ACID
Authors:Zhang, X, Wang, L, Xu, X, Xing, X, Zhou, J.
Deposit date:2022-08-12
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Characterization and structural basis of D-cysteine desulfhydrase from Pectobacterium atrosepticum
Tetrahedron, 2022
7VA1
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BU of 7va1 by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with GDD-04-35
Descriptor: 4-[(3-ethanoylphenyl)sulfamoyl]-~{N}-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide, D-3-phosphoglycerate dehydrogenase
Authors:Cen, Y, Gao, D, Zhou, J, Tian, P.
Deposit date:2021-08-27
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with GDD-04-35
To Be Published
7EGV
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BU of 7egv by Molmil
Acetolactate Synthase from Trichoderma harzianum with inhibitor harzianic acid
Descriptor: (2S)-3-methyl-2-[[(2S,4R)-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid, 1,2-ETHANEDIOL, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ...
Authors:Zang, X, Xie, L, Chen, M, Tang, Y, Zhou, J.
Deposit date:2021-03-26
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Harzianic Acid from Trichoderma afroharzianum Is a Natural Product Inhibitor of Acetohydroxyacid Synthase.
J.Am.Chem.Soc., 2021
7EHE
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BU of 7ehe by Molmil
Acetolactate Synthase from Trichoderma harzianum
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Zang, X, Tang, Y, Zhou, J.
Deposit date:2021-03-29
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Harzianic Acid from Trichoderma afroharzianum Is a Natural Product Inhibitor of Acetohydroxyacid Synthase.
J.Am.Chem.Soc., 2021
7EEY
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BU of 7eey by Molmil
The structure of the N-terminal doamin of the Schizosaccharomyces pombe Tad2 adenosine deaminase
Descriptor: SULFATE ION, tRNA-specific adenosine deaminase subunit tad2
Authors:Xie, W, Liu, X, Zhou, J.
Deposit date:2021-03-19
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional and structural investigation of N-terminal domain of the SpTad2/3 heterodimeric tRNA deaminase.
Comput Struct Biotechnol J, 19, 2021
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
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
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
7XP9
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BU of 7xp9 by Molmil
Phytophthora infesfans RxLR effector AVRvnt1
Descriptor: RxLR effector protein Avr-vnt11
Authors:Xing, W, Hu, Q, Zhou, J, Yao, D.
Deposit date:2022-05-04
Release date:2023-06-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Chloroplast Protein GLYK Hijacked by Phytophthora Infestans Effector AVRvnt1 in Cytoplasm to Activate NLR
To Be Published
7XPC
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BU of 7xpc by Molmil
Complex structure of D-glycerate-3-kinase(GLYK) and AVRvnt1
Descriptor: D-glycerate-3-kinase (GLYK), RxLR effector protein Avr-vnt11
Authors:Hu, Q, Zhou, J, Yao, D, Xing, W.
Deposit date:2022-05-04
Release date:2023-06-07
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Chloroplast Protein GLYK Hijacked by Phytophthora Infestans Effector AVRvnt1 in Cytoplasm to Activate NLR
To Be Published
6LCV
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BU of 6lcv by Molmil
structure of Mutant S44P of maltooligosyltrehalose synthase from Arthrobacter ramosus
Descriptor: MTSase
Authors:Chen, C, Su, L, Wu, L, Zhou, J, Wu, J.
Deposit date:2019-11-20
Release date:2020-11-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:structure of Mutant S44P of maltooligosyltrehalose synthase from Arthrobacter ramosus
To Be Published
6LCU
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BU of 6lcu by Molmil
structure of maltooligosyltrehalose synthase from Arthrobacter ramosus
Descriptor: MTSase
Authors:Chen, C, Su, L, Wu, L, Zhou, J, Wu, J.
Deposit date:2019-11-20
Release date:2020-11-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:structure of maltooligosyltrehalose synthase from Arthrobacter ramosus
To Be Published

219869

数据于2024-05-15公开中

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