7WWF
 
 | | Crystal structure of BioH3 from Mycolicibacterium smegmatis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Esterase | | Authors: | Yang, J, Xu, Y.C, Gan, J.H, Feng, Y.J. | | Deposit date: | 2022-02-12 | | Release date: | 2022-07-06 | | Last modified: | 2023-01-18 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Three enigmatic BioH isoenzymes are programmed in the early stage of mycobacterial biotin synthesis, an attractive anti-TB drug target.
Plos Pathog., 18, 2022
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7X3M
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045 | | Descriptor: | (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | | Deposit date: | 2022-03-01 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.694 Å) | | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
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7X3L
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044 | | Descriptor: | (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | | Deposit date: | 2022-03-01 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
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3G6M
 | | crystal structure of a chitinase CrChi1 from the nematophagous fungus Clonostachys rosea in complex with a potent inhibitor caffeine | | Descriptor: | CAFFEINE, Chitinase | | Authors: | Gan, Z, Yang, J, Lou, Z, Rao, Z, Zhang, K.-Q. | | Deposit date: | 2009-02-06 | | Release date: | 2010-02-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure and mutagenesis analysis of chitinase CrChi1 from the nematophagous fungus Clonostachys rosea in complex with the inhibitor caffeine
Microbiology, 156, 2010
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7MFU
 | | Crystal structure of synthetic nanobody (Sb14+Sb68) complexes with SARS-CoV-2 receptor binding domain | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Spike protein S1, ... | | Authors: | Jiang, J, Ahmad, J, Natarajan, K, Boyd, L.F, Margulies, D.H. | | Deposit date: | 2021-04-11 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction.
J.Biol.Chem., 297, 2021
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6IRA
 | | Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 7.8 | | Descriptor: | Glutamate receptor ionotropic, NMDA 1, NMDA 2A | | Authors: | Zhang, J, Chang, S, Zhang, X, Zhu, S. | | Deposit date: | 2018-11-12 | | Release date: | 2019-01-16 | | Last modified: | 2019-06-05 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
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6IRH
 | | Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class III | | Descriptor: | Glutamate receptor ionotropic, NMDA 1, NMDA 2A | | Authors: | Zhang, J, Chang, S, Zhang, X, Zhu, S. | | Deposit date: | 2018-11-12 | | Release date: | 2019-01-16 | | Last modified: | 2019-06-05 | | Method: | ELECTRON MICROSCOPY (7.8 Å) | | Cite: | Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
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4L9C
 | | Crystal structure of the FP domain of human F-box protein Fbxo7 (native) | | Descriptor: | F-box only protein 7, GLYCEROL | | Authors: | Du, Z, Huang, X, Shang, J, Yang, Y, Wang, G. | | Deposit date: | 2013-06-18 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the FP domain of Fbxo7 reveals a novel mode of protein-protein interaction.
Acta Crystallogr.,Sect.D, 70, 2014
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4XNR
 | | Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized by Position-selective Labeling of RNA (PLOR), in Complex with Adenine | | Descriptor: | ADENINE, MAGNESIUM ION, Vibrio Vulnificus Adenine Riboswitch | | Authors: | Zhang, J, Liu, Y, Wang, Y.-X, Ferre-D'Amare, A.R. | | Deposit date: | 2015-01-16 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Synthesis and applications of RNAs with position-selective labelling and mosaic composition.
Nature, 522, 2015
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4L9H
 | | Crystal structure of the FP domain of human F-box protein Fbxo7(SeMet) | | Descriptor: | F-box only protein 7 | | Authors: | Du, Z, Huang, X, Shang, J, Yang, Y, Wang, G. | | Deposit date: | 2013-06-18 | | Release date: | 2014-01-15 | | Last modified: | 2014-10-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the FP domain of Fbxo7 reveals a novel mode of protein-protein interaction.
Acta Crystallogr.,Sect.D, 70, 2014
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6IRG
 | | Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class II | | Descriptor: | Glutamate receptor ionotropic, NMDA 1, NMDA 2A | | Authors: | Zhang, J, Chang, S, Zhang, X, Zhu, S. | | Deposit date: | 2018-11-12 | | Release date: | 2019-01-16 | | Last modified: | 2019-06-05 | | Method: | ELECTRON MICROSCOPY (5.5 Å) | | Cite: | Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
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7N0H
 | | CryoEM structure of SARS-CoV-2 spike protein (S-6P, 2-up) in complex with sybodies (Sb45) | | 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: | Jiang, J, Huang, R, Margulies, D. | | Deposit date: | 2021-05-25 | | Release date: | 2021-06-02 | | Last modified: | 2021-10-20 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction.
J.Biol.Chem., 297, 2021
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7N0G
 | | CryoEm structure of SARS-CoV-2 spike protein (S-6P, 1-up) in complex with sybodies (Sb45) | | 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: | Jiang, J, Huang, R, Margulies, D. | | Deposit date: | 2021-05-25 | | Release date: | 2021-06-02 | | Last modified: | 2021-10-20 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction.
J.Biol.Chem., 297, 2021
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8JJB
 | | Crystal structure of T2R-TTL-Y61 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Yang, J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents.
Eur.J.Med.Chem., 268, 2024
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8JJC
 | | Tubulin-Y62 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine, CALCIUM ION, ... | | Authors: | Yang, J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents.
Eur.J.Med.Chem., 268, 2024
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6IRF
 | | Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class I | | Descriptor: | Glutamate receptor ionotropic, NMDA 1, NMDA 2A | | Authors: | Zhang, J, Chang, S, Zhang, X, Zhu, S. | | Deposit date: | 2018-11-12 | | Release date: | 2019-01-16 | | Last modified: | 2019-06-05 | | Method: | ELECTRON MICROSCOPY (5.1 Å) | | Cite: | Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
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7WQR
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 28 | | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide | | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | | Deposit date: | 2022-01-25 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.124 Å) | | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
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7WQS
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 25 | | Descriptor: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | | Deposit date: | 2022-01-26 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
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7WQM
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 24 | | Descriptor: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | | Deposit date: | 2022-01-25 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
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8SX3
 | | 10E8-GT10.2 immunogen in complex with human Fab 10E8 and mouse Fab W6-10 | | Descriptor: | 10E8 Fab heavy chain, 10E8 light chain, 10E8-GT10.2 immunogen, ... | | Authors: | Huang, J, Ozorowski, G, Ward, A.B. | | Deposit date: | 2023-05-19 | | Release date: | 2024-05-22 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
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4HJR
 | | Crystal structure of F2YRS | | Descriptor: | Tyrosine-tRNA ligase | | Authors: | Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W. | | Deposit date: | 2012-10-13 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A genetically encoded 19F NMR probe for tyrosine phosphorylation.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4HJX
 | | Crystal structure of F2YRS complexed with F2Y | | Descriptor: | 3,5-difluoro-L-tyrosine, Tyrosine-tRNA ligase | | Authors: | Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W. | | Deposit date: | 2012-10-14 | | Release date: | 2013-03-13 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | A genetically encoded 19F NMR probe for tyrosine phosphorylation.
Angew.Chem.Int.Ed.Engl., 52, 2013
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8I0C
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | | Deposit date: | 2023-01-10 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
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7X5V
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5BPP
 | | 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
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