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5HQE
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BU of 5hqe by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with compound 18T
Descriptor: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Huang, J, Wu, D, Lu, Q.
Deposit date:2016-01-21
Release date:2016-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18T at 1.62 A resolution
To Be Published
7W80
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BU of 7w80 by Molmil
Crystal Structure of the Heterodimeric HIF-2 in Complex with Antagonist Belzutifan
Descriptor: 3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Ren, X, Diao, X, Zhuang, J, Wu, D.
Deposit date:2021-12-07
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.754 Å)
Cite:Structural basis for the allosteric inhibition of hypoxia-inducible factor (HIF)-2 by belzutifan.
Mol.Pharmacol., 2022
5BPP
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BU of 5bpp by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ
Descriptor: 2-(4-butoxyphenyl)-N-hydroxyacetamide, ACETATE ION, Leukotriene A-4 hydrolase, ...
Authors:Huang, J, Dong, N.N, Xiao, Q, Ou, P.Y, Wu, D, Lu, W.Q.
Deposit date:2015-05-28
Release date:2016-08-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H
Sci Rep, 6, 2016
5F9P
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BU of 5f9p by Molmil
Crystal structure study of anthrone oxidase-like protein
Descriptor: Anthrone oxidase-like protein, GLYCEROL
Authors:Gao, X, Wu, D, Fan, K, Liu, Z.-J.
Deposit date:2015-12-10
Release date:2016-12-14
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (2.078 Å)
Cite:Structure and Function of a C-C Bond Cleaving Oxygenase in Atypical Angucycline Biosynthesis
ACS Chem. Biol., 12, 2017
6IJI
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BU of 6iji by Molmil
Crystal structure of PDE10 in complex with inhibitor 2b
Descriptor: 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B.
Deposit date:2018-10-10
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
6IJH
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BU of 6ijh by Molmil
Crystal structure of PDE10 in complex with inhibitor AF-399/14387019
Descriptor: 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B.
Deposit date:2018-10-10
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
6KUW
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BU of 6kuw by Molmil
Crystal structure of human alpha2C adrenergic G protein-coupled receptor.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine, Alpha-2C adrenergic receptor, ...
Authors:Chen, X.Y, Wu, L.J, Wu, D, Zhong, G.S.
Deposit date:2019-09-02
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human alpha2C adrenergic G protein-coupled receptor.
To Be Published
7V7W
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BU of 7v7w by Molmil
Crystal Structure of the Heterodimeric HIF-3a:ARNT Complex with oleoylethanolamide (OEA)
Descriptor: (Z)-N-(2-hydroxyethyl)octadec-9-enamide, Aryl hydrocarbon receptor nuclear translocator, Hypoxia-inducible factor 3-alpha
Authors:Diao, X, Ren, X, Li, F.W, Zhang, M, Sun, X, Wu, D.
Deposit date:2021-08-21
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.507 Å)
Cite:Identification of oleoylethanolamide as an endogenous ligand for HIF-3 alpha.
Nat Commun, 13, 2022
7V7L
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BU of 7v7l by Molmil
Crystal Structure of the Heterodimeric HIF-3a:ARNT Complex
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Hypoxia-inducible factor 3-alpha
Authors:Diao, X, Ren, X, Li, F.W, Sun, X, Wu, D.
Deposit date:2021-08-21
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of oleoylethanolamide as an endogenous ligand for HIF-3 alpha.
Nat Commun, 13, 2022
3LYD
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BU of 3lyd by Molmil
Crystal structure of Putative uncharacterized protein from Jonesia denitrificans
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein
Authors:Chang, C, Volkart, L, Bearden, J, Wu, D, Eisen, J, Kerfeld, C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-02-26
Release date:2010-03-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of Putative uncharacterized protein from Jonesia denitrificans
To be Published
3MFN
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BU of 3mfn by Molmil
Dfer_2879 protein of unknown function from Dyadobacter fermentans
Descriptor: ACETATE ION, Uncharacterized protein
Authors:Osipiuk, J, Xu, X, Cui, H, Chin, S, Eisen, J, Wu, D, Kerfeld, C, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-04-02
Release date:2010-04-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:X-ray crystal structure of Dfer_2879 protein of unknown function from Dyadobacter fermentans.
To be Published
6KO0
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BU of 6ko0 by Molmil
The crystal structue of PDE10A complexed with 1i
Descriptor: 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B.
Deposit date:2019-08-07
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.600029 Å)
Cite:Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors.
Acs Chem Neurosci, 11, 2020
6KO1
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BU of 6ko1 by Molmil
The crystal structue of PDE10A complexed with 2d
Descriptor: 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B.
Deposit date:2019-08-07
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors.
Acs Chem Neurosci, 11, 2020
2QGH
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BU of 2qgh by Molmil
Crystal structure of diaminopimelate decarboxylase from Helicobacter pylori complexed with L-lysine
Descriptor: Diaminopimelate decarboxylase, GLYCEROL, LYSINE, ...
Authors:Hu, T, Wu, D, Jiang, H, Shen, X.
Deposit date:2007-06-28
Release date:2008-05-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of diaminopimelate decarboxylase from Helicobacter pylori complexed with L-lysine
TO BE PUBLISHED
7XYO
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BU of 7xyo by Molmil
Crystal Structure of a M61 aminopeptidase family member from Myxococcus fulvus
Descriptor: Aminopeptidase M61, HEXAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, ...
Authors:Chen, X, Wang, X, Huo, L, Wu, D.
Deposit date:2022-06-02
Release date:2023-06-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and Characterization of a Myxobacterial Lanthipeptide with Unique Biosynthetic Features and Anti-inflammatory Activity.
J.Am.Chem.Soc., 145, 2023
7YHN
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BU of 7yhn by Molmil
ANTI-TUMOR AGENT Y48 IN COMPLEX WITH TUBULIN
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Du, T, Ji, M, Hou, Z, Lin, S, Zhang, J, Wu, D, Zhang, K, Lu, D, Xu, H, Chen, X.
Deposit date:2022-07-14
Release date:2023-07-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Optimization of Benzamide Derivatives as Potent and Orally Active Tubulin Inhibitors Targeting the Colchicine Binding Site.
J.Med.Chem., 65, 2022
7C1R
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BU of 7c1r by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1L
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BU of 7c1l by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A in complex with C8-CoA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1U
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BU of 7c1u by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140V/R148A in a "product-released" conformation
Descriptor: Non-ribosomal peptide synthetase modules
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1H
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BU of 7c1h by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA
Descriptor: Non-ribosomal peptide synthetase modules
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-04
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1P
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BU of 7c1p by Molmil
Crystal structure of the starter condensation domain of the rhizomide synthetase RzmA mutant H140V, R148A
Descriptor: Non-ribosomal peptide synthetase modules
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1S
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BU of 7c1s by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA and Leu-SNAC
Descriptor: Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A, S-(2-acetamidoethyl) (2S)-2-azanyl-4-methyl-pentanethioate
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1K
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BU of 7c1k by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A
Descriptor: Non-ribosomal peptide synthetase modules
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-04
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.755 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
4FC7
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BU of 4fc7 by Molmil
Studies on DCR shed new light on peroxisomal beta-oxidation: Crystal structure of the ternary complex of pDCR
Descriptor: COENZYME A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Peroxisomal 2,4-dienoyl-CoA reductase
Authors:Hua, T, Wu, D, Wang, J, Shaw, N, Liu, Z.-J.
Deposit date:2012-05-24
Release date:2012-07-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Studies of human 2,4-dienoyl CoA reductase shed new light on peroxisomal beta-oxidation of unsaturated fatty acids
J.Biol.Chem., 287, 2012
4FC6
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BU of 4fc6 by Molmil
Studies on DCR shed new light on peroxisomal beta-oxidation: Crystal structure of the ternary complex of pDCR
Descriptor: HEXANOYL-COENZYME A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Peroxisomal 2,4-dienoyl-CoA reductase
Authors:Hua, T, Wu, D, Wang, J, Shaw, N, Liu, Z.-J.
Deposit date:2012-05-24
Release date:2012-07-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Studies of human 2,4-dienoyl CoA reductase shed new light on peroxisomal beta-oxidation of unsaturated fatty acids
J.Biol.Chem., 287, 2012

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