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3KVM
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BU of 3kvm by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 951 at 2.00A resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-[(2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid, ACETATE ION, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
8IRR
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BU of 8irr by Molmil
Dopamine Receptor D1R-Gs-Rotigotine complex
Descriptor: CHOLESTEROL, D(1A) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, P, Huang, S, Zhuang, Y, Mao, C, Zhang, Y, Wang, Y, Li, H, Jiang, Y, Zhang, Y, Xu, H.E.
Deposit date:2023-03-19
Release date:2023-06-21
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural genomics of the human dopamine receptor system.
Cell Res., 33, 2023
5I2D
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BU of 5i2d by Molmil
Crystal structure of T. thermophilus TTHB099 class II transcription activation complex: TAP-RPo
Descriptor: DNA (72-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Feng, Y, Zhang, Y, Ebright, R.H.
Deposit date:2016-02-08
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.405 Å)
Cite:Structural basis of transcription activation.
Science, 352, 2016
3KVL
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BU of 3kvl by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 715 at 1.85A resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid, ACETATE ION, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
5Y8W
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BU of 5y8w by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Song, M, Wang, C.
Deposit date:2017-08-21
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y94
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BU of 5y94 by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ...
Authors:Xu, Y, Zhang, Y, Song, M, Wang, C.
Deposit date:2017-08-22
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
7W2Z
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BU of 7w2z by Molmil
Cryo-EM structure of the ghrelin-bound human ghrelin receptor-Go complex
Descriptor: Appetite-regulating hormone, CHOLESTEROL, Growth hormone secretagogue receptor type 1, ...
Authors:Qin, J, Ming, Q, Ji, S, Mao, C, Shen, D, Zhang, Y.
Deposit date:2021-11-24
Release date:2022-01-19
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Molecular mechanism of agonism and inverse agonism in ghrelin receptor.
Nat Commun, 13, 2022
1FPB
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BU of 1fpb by Molmil
CRYSTAL STRUCTURE OF THE NEUTRAL FORM OF FRUCTOSE 1,6-BISPHOSPHATASE COMPLEXED WITH REGULATORY INHIBITOR FRUCTOSE 2,6-BISPHOSPHATE AT 2.6-ANGSTROMS RESOLUTION
Descriptor: 2,6-di-O-phosphono-beta-D-fructofuranose, FRUCTOSE 1,6-BISPHOSPHATASE
Authors:Liang, J.Y, Huang, S, Zhang, Y, Ke, H, Lipscomb, W.N.
Deposit date:1992-02-03
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the neutral form of fructose 1,6-bisphosphatase complexed with regulatory inhibitor fructose 2,6-bisphosphate at 2.6-A resolution.
Proc.Natl.Acad.Sci.USA, 89, 1992
3L5S
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BU of 3l5s by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with imidazopyrimidinylphenyl inhibitor at 1.86A resolution
Descriptor: 5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
5Y8Z
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BU of 5y8z by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Song, M, Wang, C.
Deposit date:2017-08-22
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
3KVK
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BU of 3kvk by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 641 at 2.05A resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid, Dihydroorotate dehydrogenase, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3KVJ
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BU of 3kvj by Molmil
Crystal Structure of Human Dihydroorotate Dehydrogenase (DHODH) with Amino-Benzoic Acid Inhibitor 105 at 1.94A Resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid, ACETATE ION, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
1IDS
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BU of 1ids by Molmil
X-RAY STRUCTURE ANALYSIS OF THE IRON-DEPENDENT SUPEROXIDE DISMUTASE FROM MYCOBACTERIUM TUBERCULOSIS AT 2.0 ANGSTROMS RESOLUTIONS REVEALS NOVEL DIMER-DIMER INTERACTIONS
Descriptor: FE (III) ION, IRON SUPEROXIDE DISMUTASE
Authors:Cooper, J.B, Mcintyre, K, Wood, S.P, Zhang, Y, Young, D.
Deposit date:1994-09-29
Release date:1994-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure analysis of the iron-dependent superoxide dismutase from Mycobacterium tuberculosis at 2.0 Angstroms resolution reveals novel dimer-dimer interactions.
J.Mol.Biol., 246, 1995
8XZF
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BU of 8xzf by Molmil
Cryo-EM structure of the WN561-bound human APLNR-Gi complex
Descriptor: Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZJ
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BU of 8xzj by Molmil
Cryo-EM structure of the WN353-bound human APLNR-Gi complex
Descriptor: Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZI
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BU of 8xzi by Molmil
Cryo-EM structure of the CMF-019-bound human APLNR-Gi complex
Descriptor: (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid, Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZH
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BU of 8xzh by Molmil
Cryo-EM structure of the MM07-bound human APLNR-Gi complex
Descriptor: Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8JOL
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BU of 8jol by Molmil
cryo-EM structure of the CED-4/CED-3 holoenzyme
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell death protein 3, Cell death protein 4, ...
Authors:Li, Y, Tian, L, Zhang, Y, Shi, Y.
Deposit date:2023-06-07
Release date:2023-06-28
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into CED-3 activation.
Life Sci Alliance, 6, 2023
5YMR
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BU of 5ymr by Molmil
The Crystal Structure of IseG
Descriptor: 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL
Authors:Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z.
Deposit date:2017-10-22
Release date:2019-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria.
Nat Commun, 10, 2019
5HN7
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BU of 5hn7 by Molmil
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1158
Descriptor: 5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid, Farnesyl pyrophosphate synthase, putative
Authors:Liu, Y.-L, Zhang, Y, Oldfield, E.
Deposit date:2016-01-18
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
5HNA
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BU of 5hna by Molmil
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1251
Descriptor: 4-chloro-2-{[3-(decyloxy)-5-hydroxybenzyl]oxy}-5-sulfamoylbenzoic acid, Farnesyl pyrophosphate synthase, putative
Authors:Liu, Y.-L, Zhang, Y, Oldfield, E.
Deposit date:2016-01-18
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
2LD7
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BU of 2ld7 by Molmil
Solution structure of the mSin3A PAH3-SAP30 SID complex
Descriptor: Histone deacetylase complex subunit SAP30, Paired amphipathic helix protein Sin3a
Authors:Xie, T, He, Y, Korkeamaki, H, Zhang, Y, Imhoff, R, Lohi, O, Radhakrishnan, I.
Deposit date:2011-05-16
Release date:2011-06-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the 30-kDa Sin3-associated protein (SAP30) in complex with the mammalian Sin3A corepressor and its role in nucleic acid binding.
J.Biol.Chem., 286, 2011
5HN8
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BU of 5hn8 by Molmil
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1182
Descriptor: 2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid, Farnesyl pyrophosphate synthase, putative, ...
Authors:Liu, Y.-L, Zhang, Y, Oldfield, E.
Deposit date:2016-01-18
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
5HN9
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BU of 5hn9 by Molmil
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1186
Descriptor: 2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid, Farnesyl pyrophosphate synthase, putative
Authors:Liu, Y.-L, Zhang, Y, OIdfield, E.
Deposit date:2016-01-18
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
8K6L
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BU of 8k6l by Molmil
Cryo-EM structure of human OATP1B1 in complex with DCF
Descriptor: 2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shan, Z, Yang, X, Zhang, Y.
Deposit date:2023-07-25
Release date:2023-09-13
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023

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