6L8R
 
 | | membrane-bound PD-L1-CD | | Descriptor: | Programmed cell death 1 ligand 1 | | Authors: | Maorong, W, Cao, Y, Bin, W, Bo, O. | | Deposit date: | 2019-11-07 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | PD-L1 degradation is regulated by electrostatic membrane association of its cytoplasmic domain.
Nat Commun, 12, 2021
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6LYP
 | | Cryo-EM structure of AtMSL1 wild type | | Descriptor: | Mechanosensitive ion channel protein 1, mitochondrial | | Authors: | Sun, L. | | Deposit date: | 2020-02-15 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural Insights into a Plant Mechanosensitive Ion Channel MSL1.
Cell Rep, 30, 2020
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6N7B
 | | Structure of the human JAK1 kinase domain with compound 38 | | Descriptor: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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6N79
 | | Structure of the human JAK1 kinase domain with compound 20 | | Descriptor: | GLYCEROL, N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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6N3N
 | | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | | Descriptor: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | | Authors: | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | | Deposit date: | 2018-11-15 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
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6N7C
 | | Structure of the human JAK1 kinase domain with compound 56 | | Descriptor: | GLYCEROL, N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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6N78
 | | Structure of the human JAK1 kinase domain with compound 21 | | Descriptor: | GLYCEROL, N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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6N7A
 | | Structure of the human JAK1 kinase domain with compound 39 | | Descriptor: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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7YEU
 | | Superfolder green fluorescent protein with phosphine unnatural amino acid P3BF | | Descriptor: | Superfolder green fluorescent protein | | Authors: | Hu, C, Duan, H.Z, Liu, X.H, Chen, Y.X, Wang, J.Y. | | Deposit date: | 2022-07-06 | | Release date: | 2023-07-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Genetically Encoded Phosphine Ligand for Metalloprotein Design.
J.Am.Chem.Soc., 144, 2022
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6N77
 | | Structure of the human JAK1 kinase domain with compound 15 | | Descriptor: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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6N7D
 | | Structure of the human JAK1 kinase domain with compound 54 | | Descriptor: | GLYCEROL, N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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6N3O
 | | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | | Descriptor: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide, eIF-2-alpha kinase GCN2 | | Authors: | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | | Deposit date: | 2018-11-15 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
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8IQU
 | | Structure of MtbFadD23 with PhU-AMS | | Descriptor: | 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, Fatty-acid-CoA ligase FadD23 | | Authors: | Yan, M.R, Zhang, W. | | Deposit date: | 2023-03-17 | | Release date: | 2023-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural basis for the development of potential inhibitors targeting FadD23 from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 79, 2023
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6N3L
 | | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | | Descriptor: | N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | | Authors: | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | | Deposit date: | 2018-11-15 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
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6NE7
 | | Structure of G810A mutant of RET protein tyrosine kinase domain. | | Descriptor: | ADENOSINE MONOPHOSPHATE, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret | | Authors: | Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M. | | Deposit date: | 2018-12-17 | | Release date: | 2019-06-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural basis of resistance of mutant RET protein-tyrosine kinase to its inhibitors nintedanib and vandetanib.
J.Biol.Chem., 294, 2019
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7WJQ
 | | Crystal structure of GSDMB in complex with Ipah7.8 | | Descriptor: | Isoform 2 of Gasdermin-B, Probable E3 ubiquitin-protein ligase ipaH7.8 | | Authors: | Li, X, Zhang, H, Yin, H. | | Deposit date: | 2022-01-07 | | Release date: | 2023-01-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Insights into the GSDMB-mediated cellular lysis and its targeting by IpaH7.8
Nat Commun, 14, 2023
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3NYL
 | | The X-ray structure of an antiparallel dimer of the human amyloid precursor protein E2 domain | | Descriptor: | Amyloid beta (A4) protein (Peptidase nexin-II, Alzheimer disease), isoform CRA_b | | Authors: | Ha, Y, Hu, J, Lee, S, Liu, X, Wang, Y. | | Deposit date: | 2010-07-15 | | Release date: | 2011-07-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The X-ray structure of an antiparallel dimer of the human amyloid precursor protein E2 domain.
Mol.Cell, 15, 2004
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5Y4G
 | | Apo Structure of AmbP3 | | Descriptor: | AmbP3 | | Authors: | Wong, C.P, Awakawa, T, Nakashima, Y. | | Deposit date: | 2017-08-03 | | Release date: | 2018-07-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Two Distinct Substrate Binding Modes for the Normal and Reverse Prenylation of Hapalindoles by the Prenyltransferase AmbP3
Angew. Chem. Int. Ed. Engl., 57, 2018
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5JLY
 | | Structure of Peroxiredoxin-1 from Schistosoma japonicum | | Descriptor: | Thioredoxin peroxidase-1 | | Authors: | Wu, Q, Huang, F, Zeng, D, Liu, X, Zhao, J, Wang, H, Peng, Y, Li, P, Li, Y. | | Deposit date: | 2016-04-27 | | Release date: | 2017-05-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.051 Å) | | Cite: | Crystal structure of Peroxiredoxin-1 from Schistosoma japonicum
To Be Published
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5Y72
 | | DMSPP Bound AmbP3 | | Descriptor: | AmbP3, DIMETHYLALLYL S-THIOLODIPHOSPHATE | | Authors: | Wong, C.P, Awakawa, T, Nakashima, Y. | | Deposit date: | 2017-08-16 | | Release date: | 2018-07-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Two Distinct Substrate Binding Modes for the Normal and Reverse Prenylation of Hapalindoles by the Prenyltransferase AmbP3
Angew. Chem. Int. Ed. Engl., 57, 2018
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5Y84
 | | Hapalindole U and DMSPP Bound AmbP3 | | Descriptor: | AmbP3, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Hapalindole U | | Authors: | Wong, C.P, Awakawa, T, Nakashima, Y. | | Deposit date: | 2017-08-18 | | Release date: | 2018-07-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Two Distinct Substrate Binding Modes for the Normal and Reverse Prenylation of Hapalindoles by the Prenyltransferase AmbP3
Angew. Chem. Int. Ed. Engl., 57, 2018
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5Y7C
 | | Hapalindole A and DMSPP Bound AmbP3 | | Descriptor: | AmbP3, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Hapalindole A | | Authors: | Wong, C.P, Awakawa, T, Nakashima, Y. | | Deposit date: | 2017-08-16 | | Release date: | 2018-07-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Two Distinct Substrate Binding Modes for the Normal and Reverse Prenylation of Hapalindoles by the Prenyltransferase AmbP3
Angew. Chem. Int. Ed. Engl., 57, 2018
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5WRO
 | | Crystal structure of Drosophila enolase | | Descriptor: | CADMIUM ION, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Zhang, Z, Shi, Z. | | Deposit date: | 2016-12-02 | | Release date: | 2017-04-26 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.015 Å) | | Cite: | Crystal structure of enolase from Drosophila melanogaster.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5WDJ
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-6 AKA 7-(BENZYLOXY)-1H-[1,2, 3]TRIAZOLO[4,5-D]PYRIMIDIN-5-AMINE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine, CALCIUM ION, ... | | Authors: | Khan, J.A. | | Deposit date: | 2017-07-05 | | Release date: | 2018-04-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Triazolopyrimidines identified as reversible myeloperoxidase inhibitors.
Medchemcomm, 8, 2017
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5WZX
 | | Structural basis for a pentacyclic oleanane-type triterpenoid as a ligand of FXR | | Descriptor: | (4aR,6aR,6aS,6bS,8aS,9R,12aR,14bR)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (R,R)-2,3-BUTANEDIOL, Bile acid receptor, ... | | Authors: | Lu, Y, Li, Y. | | Deposit date: | 2017-01-19 | | Release date: | 2018-01-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Identification of an Oleanane-Type Triterpene Hedragonic Acid as a Novel Farnesoid X Receptor Ligand with Liver Protective Effects and Anti-inflammatory Activity
Mol. Pharmacol., 93, 2018
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