8R8T
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8QD0
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6IJI
| 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
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6IJH
| 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
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3CF9
| Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with apigenin | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, BENZAMIDINE, ... | Authors: | Zhang, L, Wu, D, Liu, W, Shen, X, Jiang, H. | Deposit date: | 2008-03-03 | Release date: | 2008-12-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay Protein Sci., 17, 2008
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3D04
| Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with sakuranetin | Descriptor: | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one, (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, ... | Authors: | Zhang, L, Kong, Y, Wu, D, Shen, X, Jiang, H. | Deposit date: | 2008-05-01 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay Protein Sci., 17, 2008
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3DOO
| Crystal structure of shikimate dehydrogenase from Staphylococcus epidermidis complexed with shikimate | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Shikimate dehydrogenase | Authors: | Han, C, Hu, T, Wu, D, Zhou, J, Shen, X, Qu, D, Jiang, H. | Deposit date: | 2008-07-05 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray crystallographic and enzymatic analyses of shikimate dehydrogenase from Staphylococcus epidermidis Febs J., 276, 2009
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3DON
| Crystal structure of shikimate dehydrogenase from Staphylococcus epidermidis | Descriptor: | GLYCEROL, Shikimate dehydrogenase | Authors: | Han, C, Hu, T, Wu, D, Zhou, J, Shen, X, Qu, D, Jiang, H. | Deposit date: | 2008-07-05 | Release date: | 2009-05-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray crystallographic and enzymatic analyses of shikimate dehydrogenase from Staphylococcus epidermidis Febs J., 276, 2009
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3C5Q
| Crystal structure of diaminopimelate decarboxylase (I148L mutant) from Helicobacter pylori complexed with L-lysine | Descriptor: | Diaminopimelate decarboxylase, GLYCEROL, LYSINE, ... | Authors: | Hu, T, Wu, D, Jiang, H, Shen, X. | Deposit date: | 2008-02-01 | Release date: | 2008-05-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of diaminopimelate decarboxylase from Helicobacter pylori To be Published
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1S5O
| Structural and Mutational Characterization of L-carnitine Binding to Human carnitine Acetyltransferase | Descriptor: | CARNITINE, carnitine acetyltransferase isoform 2 | Authors: | Govindasamy, L, Kukar, T, Lian, W, Pedersen, B, Gu, Y, Agbandje-Mckenna, M, Jin, S, Mckenna, R, Wu, D. | Deposit date: | 2004-01-21 | Release date: | 2004-02-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and mutational characterization of l-carnitine binding to human carnitine acetyltransferase. J.Struct.Biol., 146, 2004
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7NKZ
| Cryo-EM structure of the cytochrome bd oxidase from M. tuberculosis at 2.5 A resolution | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, HEME B/C, MENAQUINONE-9, ... | Authors: | Safarian, S, Wu, D, Krause, K.L, Michel, H. | Deposit date: | 2021-02-19 | Release date: | 2021-09-22 | Last modified: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | The cryo-EM structure of the bd oxidase from M. tuberculosis reveals a unique structural framework and enables rational drug design to combat TB. Nat Commun, 12, 2021
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1T1U
| Structural Insights and Functional Implications of Choline Acetyltransferase | Descriptor: | Choline O-acetyltransferase | Authors: | Govindasamy, L, Pedersen, B, Lian, W, Kukar, T, Gu, Y, Jin, S, Agbandje-McKenna, M, Wu, D. | Deposit date: | 2004-04-18 | Release date: | 2005-04-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insights and functional implications of choline acetyltransferase J.Struct.Biol., 148, 2004
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6KUW
| 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
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2QGH
| 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
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6KO0
| 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
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6KO1
| 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
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1MC7
| Solution Structure of mDvl1 PDZ domain | Descriptor: | Segment polarity protein dishevelled homolog DVL-1 | Authors: | Wong, H.-C, Bourdelas, A, Shao, Y, Wu, D, Shi, D.L, Zheng, J. | Deposit date: | 2002-08-05 | Release date: | 2003-09-23 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Direct binding of the PDZ domain of Dishevelled to a conserved internal sequence in the C-terminal region of Frizzled Mol.Cell, 12, 2003
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2AKR
| Structural basis of sulfatide presentation by mouse CD1d | Descriptor: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Halder, R, Wu, D, Maricic, I, Roy, K, Wong, C.-H, Kumar, V, Wilson, I.A. | Deposit date: | 2005-08-03 | Release date: | 2005-12-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for CD1d presentation of a sulfatide derived from myelin and its implications for autoimmunity J.Exp.Med., 202, 2005
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5OES
| The structure of a glutathione synthetase (StGSS1) from Solanum tuberosum in ADP and y-EC bound closed conformation. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GAMMA-GLUTAMYLCYSTEINE, Glutathione synthetase, ... | Authors: | Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S. | Deposit date: | 2017-07-10 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene. PLoS Genet., 14, 2018
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5OET
| The structure of a glutathione synthetase like-effector (GSS30) from Globodera pallida in apoform. | Descriptor: | Glutathione synthetase-like effector 30 (Gpa-GSS30-apo), MAGNESIUM ION | Authors: | Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S. | Deposit date: | 2017-07-10 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene. PLoS Genet., 14, 2018
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5OEV
| The structure of a glutathione synthetase like-effector (GSS22) from Globodera pallida in apoform. | Descriptor: | Glutathione synthetase-like effector 22 (Gpa-GSS22-apo) | Authors: | Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S. | Deposit date: | 2017-07-10 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene. PLoS Genet., 14, 2018
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5OEU
| The structure of a glutathione synthetase like-effector (GSS22) from Globodera pallida in ADP-bound closed conformation. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glutathione synthetase-like effector 22 (Gpa-GSS22-closed), MAGNESIUM ION | Authors: | Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S. | Deposit date: | 2017-07-10 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene. PLoS Genet., 14, 2018
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7C1L
| 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
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7C1U
| 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
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7C1R
| 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
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