4D3U
 
 | |
4D3I
 | | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-((5-(aminomethyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine) | | Descriptor: | 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), GLYCEROL, N-PROPANOL, ... | | Authors: | Holden, J.K, Poulos, T.L. | | Deposit date: | 2014-10-22 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
|
|
4D3T
 | |
4CTX
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl) ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-03-15 | | Release date: | 2014-05-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
|
|
4CTU
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl) phenyl)propyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[(2R)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-03-15 | | Release date: | 2014-05-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
|
|
4WF6
 | | Anthrax toxin lethal factor with bound small molecule inhibitor MK-31 | | Descriptor: | 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ... | | Authors: | Maize, K.M, De la Mora-Rey, T, Finzel, B.C. | | Deposit date: | 2014-09-12 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6521 Å) | | Cite: | Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
|
|
8GJM
 | | 17b10 fab in complex with full-length SARS-CoV-2 Spike G614 trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H. | | Deposit date: | 2023-03-16 | | Release date: | 2023-04-05 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2.
J Med Virol, 95, 2023
|
|
8GJN
 | | 17B10 fab in complex with up-RBD of SARS-CoV-2 Spike G614 trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 17B10 Fab, Light chain of 17B10 Fab, ... | | Authors: | Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H. | | Deposit date: | 2023-03-16 | | Release date: | 2023-04-05 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2.
J Med Virol, 95, 2023
|
|
6KIK
 | | Crystal structure of a thermostable aldo-keto reductase Tm1743 in complex with inhibitor tolrestat | | Descriptor: | Oxidoreductase, aldo/keto reductase family, TOLRESTAT | | Authors: | Zhang, C.Y, Liu, X.M, Wang, C, Tang, W.R. | | Deposit date: | 2019-07-18 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima.
Febs Lett., 594, 2020
|
|
6KY6
 | | Crystal structure of a thermostable aldo-keto reductase Tm1743 in complexs with inhibitor epalrestat in space group P3221cc | | Descriptor: | 2,5-diketo-D-gluconic acid reductase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Zhang, C.Y, Min, Z.Z, Liu, X.M, Wang, C, Tang, W.R. | | Deposit date: | 2019-09-16 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima.
Febs Lett., 594, 2020
|
|
7VRT
 | | The unexpanded head structure of phage T4 | | Descriptor: | Capsid vertex protein, Major capsid protein | | Authors: | Fang, Q, Tang, W, Fokine, A, Mahalingam, M, Shao, Q, Rossmann, M.G, Rao, V.B. | | Deposit date: | 2021-10-24 | | Release date: | 2022-10-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (5.1 Å) | | Cite: | Structures of a large prolate virus capsid in unexpanded and expanded states generate insights into the icosahedral virus assembly.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7VS5
 | | The expanded head structure of phage T4 | | Descriptor: | Capsid vertex protein, Major capsid protein, Small outer capsid protein | | Authors: | Fang, Q, Tang, W, Fokine, A, Mahalingam, M, Shao, Q, Rossmann, M.G, Rao, V.B. | | Deposit date: | 2021-10-25 | | Release date: | 2022-10-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of a large prolate virus capsid in unexpanded and expanded states generate insights into the icosahedral virus assembly.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
3FE5
 | | Crystal structure of 3-hydroxyanthranilate 3,4-dioxygenase from bovine kidney | | Descriptor: | 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION | | Authors: | Dilovic, I, Gliubich, F, Malpeli, G, Zanotti, G, Matkovic-Calogovic, D. | | Deposit date: | 2008-11-27 | | Release date: | 2009-06-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structure of bovine 3-hydroxyanthranilate 3,4-dioxygenase.
Biopolymers, 2009
|
|
2MCD
 | |
2MCK
 | |
2MAX
 | |
2MCH
 | |
7DWS
 | |
7WRP
 | | Crystal Structure of pks13-ACP domain from Corynebacterium diphtheriae | | Descriptor: | 4'-PHOSPHOPANTETHEINE, Polyketide synthase involved in mycolic acid biosynthesis | | Authors: | Liu, X. | | Deposit date: | 2022-01-27 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.794 Å) | | Cite: | Crystal structures of FadD32 and pks13-ACP domain from Corynebacterium diphtheriae.
Biochem.Biophys.Res.Commun., 590, 2022
|
|
7WUA
 | | Crystal structures of FadD32 from Corynebacterium diphtheriae | | Descriptor: | Acyl-CoA synthase, MAGNESIUM ION, MYRISTIC ACID, ... | | Authors: | Liu, X. | | Deposit date: | 2022-02-07 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Crystal structures of FadD32 and pks13-ACP domain from Corynebacterium diphtheriae
Biochem Biophys Res Commun, 590, 2022
|
|
6K0Y
 | | Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor | | Descriptor: | 1,2-ETHANEDIOL, Antibody Heavy Chain, Antibody Light Chain, ... | | Authors: | Liu, J.X, Wang, G.Q. | | Deposit date: | 2019-05-08 | | Release date: | 2019-12-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor.
Sci Rep, 9, 2019
|
|
6KIY
 | | Crystal structure of a thermostable aldo-keto reductase Tm1743 in complex with inhibitor Epalrestat | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, aldo/keto reductase family, ... | | Authors: | Zhang, C.Y, Liu, X.M, Wang, C, Min, Z.Z, Xu, X.L. | | Deposit date: | 2019-07-20 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima.
Febs Lett., 594, 2020
|
|
6LRM
 | | Crystal structure of PDE4D catalytic domain in complex with arctigenin | | Descriptor: | 1,2-ETHANEDIOL, Arctigenin, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Li, M.J, Xu, Y.C. | | Deposit date: | 2020-01-16 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Identification of phosphodiesterase-4 as the therapeutic target of arctigenin in alleviating psoriatic skin inflammation.
J Adv Res, 33, 2021
|
|
6M2N
 | | SARS-CoV-2 3CL protease (3CL pro) in complex with a novel inhibitor | | Descriptor: | 3C-like proteinase, 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one | | Authors: | Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C. | | Deposit date: | 2020-02-28 | | Release date: | 2020-04-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients.
Acta Pharmacol.Sin., 41, 2020
|
|
6M2Q
 | | SARS-CoV-2 3CL protease (3CL pro) apo structure (space group C21) | | Descriptor: | 3C-like proteinase | | Authors: | Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C. | | Deposit date: | 2020-02-28 | | Release date: | 2020-04-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients.
Acta Pharmacol.Sin., 41, 2020
|
|
