8GOM
 
 | | SARS-CoV-2 specific private TCR RLQ7 in complex with RLQ-HLA-A2 | | Descriptor: | Beta-2-microglobulin, MHC class I antigen, SARS-CoV-2 specific private TCR RLQ7 alpha, ... | | Authors: | Wu, D, Mariuzza, R.A. | | Deposit date: | 2022-08-25 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.783 Å) | | Cite: | Structural insights into protection against a SARS-CoV-2 spike variant by T cell receptor (TCR) diversity.
J.Biol.Chem., 299, 2023
|
|
8GON
 | |
4YLW
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with No.33 compound | | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Wu, D, Ouyang, P, Lu, W, Huang, J. | | Deposit date: | 2015-03-06 | | Release date: | 2016-03-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with No.33 compound
To Be Published
|
|
3HY4
 | | Structure of human MTHFS with N5-iminium phosphate | | Descriptor: | 5-formyltetrahydrofolate cyclo-ligase, MAGNESIUM ION, N-({trans-4-[({(2R,4R,4aS,6S,8aS)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-L-glutamic acid, ... | | Authors: | Wu, D, Li, Y, Song, G, Cheng, C, Shaw, N, Liu, Z.-J. | | Deposit date: | 2009-06-22 | | Release date: | 2009-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.795 Å) | | Cite: | Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues
Cancer Res., 69, 2009
|
|
3HY6
 | | Structure of human MTHFS with ADP | | Descriptor: | 5-formyltetrahydrofolate cyclo-ligase, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Wu, D, Li, Y, Song, G, Cheng, C, Shaw, N, Liu, Z.-J. | | Deposit date: | 2009-06-22 | | Release date: | 2009-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues
Cancer Res., 69, 2009
|
|
3HXT
 | | Structure of human MTHFS | | Descriptor: | 5-formyltetrahydrofolate cyclo-ligase, MAGNESIUM ION, NICKEL (II) ION | | Authors: | Wu, D, Li, Y, Song, G, Cheng, C, Zhang, R, Joachimiak, A, Shaw, N, Liu, Z.-J. | | Deposit date: | 2009-06-22 | | Release date: | 2009-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues
Cancer Res., 69, 2009
|
|
4ZQD
 | | Crystal Structure of the Heterodimeric HIF-2a:ARNT Complex with the Benzoxadiazole Antagonist 0X3 | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine | | Authors: | Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F. | | Deposit date: | 2015-05-09 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Structural integration in hypoxia-inducible factors.
Nature, 524, 2015
|
|
4ZPR
 | | Crystal Structure of the Heterodimeric HIF-1a:ARNT Complex with HRE DNA | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*CP*AP*CP*GP*AP*CP*CP*CP*GP*CP*AP*CP*GP*TP*AP*CP*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*GP*CP*GP*TP*AP*CP*GP*TP*GP*CP*GP*GP*GP*TP*CP*GP*T)-3'), ... | | Authors: | Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F. | | Deposit date: | 2015-05-08 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.902 Å) | | Cite: | Structural integration in hypoxia-inducible factors.
Nature, 524, 2015
|
|
4ZPK
 | | Crystal Structure of the Heterodimeric HIF-2a:ARNT Complex with HRE DNA | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*CP*AP*CP*GP*AP*CP*CP*CP*GP*CP*AP*CP*GP*TP*AP*CP*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*GP*CP*GP*TP*AP*CP*GP*TP*GP*CP*GP*GP*GP*TP*CP*GP*T)-3'), ... | | Authors: | Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F. | | Deposit date: | 2015-05-08 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural integration in hypoxia-inducible factors.
Nature, 524, 2015
|
|
4ZP4
 | | Crystal Structure of the Heterodimeric HIF-2a:ARNT Complex | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F. | | Deposit date: | 2015-05-07 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.355 Å) | | Cite: | Structural integration in hypoxia-inducible factors.
Nature, 524, 2015
|
|
3HY3
 | | Structure of human MTHFS with 10-formyltetrahydrofolate | | Descriptor: | 5-formyltetrahydrofolate cyclo-ligase, MAGNESIUM ION, N-({4-[{[(2R,4S,4aR,6S,8aS)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-D-glutamic acid, ... | | Authors: | Wu, D, Li, Y, Song, G, Cheng, C, Shaw, N, Liu, Z.-J. | | Deposit date: | 2009-06-22 | | Release date: | 2009-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues
Cancer Res., 69, 2009
|
|
4ZPH
 | | Crystal Structure of the Heterodimeric HIF-2a:ARNT Complex with Proflavine | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, PROFLAVIN | | Authors: | Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F. | | Deposit date: | 2015-05-07 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural integration in hypoxia-inducible factors.
Nature, 524, 2015
|
|
5H2Z
 | |
7ES4
 | | the crystral structure of DndH-C-domain | | Descriptor: | DNA phosphorothioation-dependent restriction protein DptH | | Authors: | Wu, D. | | Deposit date: | 2021-05-08 | | Release date: | 2022-05-11 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The functional coupling between restriction and DNA phosphorothioate modification systems underlying the DndFGH restriction complex
Nat Catal, 2022
|
|
7FAR
 | | Crystal structure of PDE5A in complex with inhibitor L12 | | Descriptor: | 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.40006471 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
|
|
7FAQ
 | | Crystal structure of PDE5A in complex with inhibitor L1 | | Descriptor: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.200136 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
|
|
7EXX
 | | The structure of DndG | | Descriptor: | DNA phosphorothioation-dependent restriction protein DptG, SODIUM ION | | Authors: | Wu, D, Wang, L. | | Deposit date: | 2021-05-28 | | Release date: | 2022-06-01 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The functional coupling between restriction and DNA phosphorothioate modification systems underlying the DndFGH restriction complex
Nat Catal, 2022
|
|
6ACB
 | | Crystal structure of PDE5 in complex with inhibitor LW1805 | | Descriptor: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2018-07-26 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
|
|
4DNV
 | | Crystal structure of the W285F mutant of UVB-resistance protein UVR8 | | Descriptor: | AT5g63860/MGI19_6 | | Authors: | Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Zhang, J, Wang, J, Shi, Y. | | Deposit date: | 2012-02-09 | | Release date: | 2012-03-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
|
|
4DNW
 | | Crystal structure of UVB-resistance protein UVR8 | | Descriptor: | AT5g63860/MGI19_6 | | Authors: | Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Wang, J, Shi, Y. | | Deposit date: | 2012-02-09 | | Release date: | 2012-03-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.773 Å) | | Cite: | Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
|
|
4DNU
 | | Crystal structure of the W285A mutant of UVB-resistance protein UVR8 | | Descriptor: | AT5g63860/MGI19_6 | | Authors: | Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Zhang, J, Wang, J, Shi, Y. | | Deposit date: | 2012-02-09 | | Release date: | 2012-03-07 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (1.764 Å) | | Cite: | Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
|
|
2PVP
 | |
5XFF
 | | Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550L) | | Descriptor: | 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4 | | Authors: | Wu, D, Chen, Y. | | Deposit date: | 2017-04-10 | | Release date: | 2018-09-05 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
|
|
5WTI
 | | Crystal structure of the CRISPR-associated protein in complex with crRNA and DNA | | Descriptor: | CRISPR-associated protein, DNA (28-MER), DNA (5'-D(P*GP*TP*GP*TP*GP*GP*AP*TP*TP*CP*CP*G)-3'), ... | | Authors: | Wu, D, Guan, X, Zhu, Y, Huang, Z. | | Deposit date: | 2016-12-13 | | Release date: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.682 Å) | | Cite: | Structural basis of stringent PAM recognition by CRISPR-C2c1 in complex with sgRNA
Cell Res., 27, 2017
|
|
5ZZ2
 | | Crystal structure of PDE5 in complex with inhibitor LW1634 | | Descriptor: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2018-05-29 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
|
|
