8YQ8
| Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS V1/S) complexed with FB8, NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[4-[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxybutoxy]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Vitsupakorn, D, Saeyang, T, Arwon, U, Hoarau, M, Decharuangsilp, S, Kamchonwongpaisan, S, Yuthavong, Y. | Deposit date: | 2024-03-19 | Release date: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel flexible biphenyl Pf DHFR inhibitors with improved antimalarial activity. Rsc Med Chem, 15, 2024
|
|
7XI7
| Human dihydrofolate reductase complexed with P39 | Descriptor: | 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Dihydrofolate reductase, SULFATE ION | Authors: | Vanichtanankul, J, Saeyang, T, Kamchonwongpaisan, S, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2022-04-12 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
|
|
7FGX
| Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P39, NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | Deposit date: | 2021-07-28 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
|
|
7FGY
| Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P40, NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | Deposit date: | 2021-07-28 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
|
|
7FGW
| Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with pyrimethamine, NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, BENZAMIDINE, ... | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, Y, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | Deposit date: | 2021-07-28 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
|
|
8YBR
| Choline transporter BetT | Descriptor: | BCCT family transporter | Authors: | Yang, T.J, Nian, Y.W, Lin, H.J, Li, J, Zhang, J.R, Fan, M.R. | Deposit date: | 2024-02-16 | Release date: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Structure and mechanism of the osmoregulated choline transporter BetT. Sci Adv, 10, 2024
|
|
8YBQ
| Choline transporter BetT - CHT bound | Descriptor: | BCCT family transporter, CHOLINE ION | Authors: | Yang, T.J, Nian, Y.W, Lin, H.J, Li, J, Zhang, J.R, Fan, M.R. | Deposit date: | 2024-02-16 | Release date: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Structure and mechanism of the osmoregulated choline transporter BetT. Sci Adv, 10, 2024
|
|
4NIE
| |
6INH
| A glycosyltransferase with UDP and the substrate | Descriptor: | 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, UDP-glycosyltransferase 76G1, ... | Authors: | Zhu, X. | Deposit date: | 2018-10-25 | Release date: | 2019-07-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations. Nat Commun, 10, 2019
|
|
6ING
| |
6KJY
| Galectin-13 variant C136S/C138S | Descriptor: | Galactoside-binding soluble lectin 13 | Authors: | Su, J. | Deposit date: | 2019-07-23 | Release date: | 2019-10-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution. Glycobiology, 30, 2020
|
|
6KJW
| Galectin-13 variant C136S | Descriptor: | Galactoside-binding soluble lectin 13 | Authors: | Su, J. | Deposit date: | 2019-07-23 | Release date: | 2019-10-16 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution. Glycobiology, 30, 2020
|
|
6KJX
| Galectin-13 variant C138S | Descriptor: | Galactoside-binding soluble lectin 13 | Authors: | Su, J. | Deposit date: | 2019-07-23 | Release date: | 2019-10-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution. Glycobiology, 30, 2020
|
|
7FIC
| |
6U09
| |
6U06
| |
8HEC
| SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 2 conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-11-08 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2. Biochem.Biophys.Res.Commun., 660, 2023
|
|
8HED
| Local refinement of the SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-11-08 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2. Biochem.Biophys.Res.Commun., 660, 2023
|
|
8HEB
| SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 1 conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-11-08 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2. Biochem.Biophys.Res.Commun., 660, 2023
|
|
8HGK
| Crystal structure of human ClpP in complex with ZK53 | Descriptor: | 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | Authors: | Yang, C.-G, Gan, J.H, Zhou, L.-L. | Deposit date: | 2022-11-14 | Release date: | 2023-09-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective activator of human ClpP triggers cell cycle arrest to inhibit lung squamous cell carcinoma. Nat Commun, 14, 2023
|
|
8YLB
| Cocrystal structures of agonists compound 1 with HsClpP | Descriptor: | 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial | Authors: | Zhao, N, Zhu, Y, Bao, R. | Deposit date: | 2024-03-06 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Rational Design of a Novel Class of Human ClpP Agonists through a Ring-Opening Strategy with Enhanced Antileukemia Activity. J.Med.Chem., 67, 2024
|
|
7VP9
| Crystal structure of human ClpP in complex with ZG111 | Descriptor: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | Authors: | Wang, P.Y, Gan, J.H, Yang, C.-G. | Deposit date: | 2021-10-15 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.552 Å) | Cite: | Aberrant human ClpP activation disturbs mitochondrial proteome homeostasis to suppress pancreatic ductal adenocarcinoma. Cell Chem Biol, 29, 2022
|
|
4XT9
| RORgamma (263-509) complexed with GSK2435341A and SRC2 | Descriptor: | LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ... | Authors: | Wang, Y, Ma, Y. | Deposit date: | 2015-01-23 | Release date: | 2015-08-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR gamma t inverse agonists Bioorg.Med.Chem., 23, 2015
|
|
7V6K
| Crystal structure of Sortase A from Streptococcus pyogenes in complex with ML346 | Descriptor: | 5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione, MAGNESIUM ION, Sortase | Authors: | Yang, C.G, Gan, J. | Deposit date: | 2021-08-20 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Covalent sortase A inhibitor ML346 prevents Staphylococcus aureus infection of Galleria mellonella. Rsc Med Chem, 13, 2022
|
|
7XPN
| |