6DFX
 
 | | human diabetogenic TCR T1D3 in complex with DQ8-p8E9E peptide | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, Y, Dai, S. | | Deposit date: | 2018-05-15 | | Release date: | 2019-04-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
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6DFQ
 | | mouse diabetogenic TCR I.29 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, TCR alpha chain, ... | | Authors: | Wang, Y, Dai, S. | | Deposit date: | 2018-05-15 | | Release date: | 2019-04-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
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6DFV
 | | Mouse diabetogenic TCR 8F10 | | Descriptor: | 1,2-ETHANEDIOL, TCR alpha chain, TCR beta chain | | Authors: | Wang, Y, Dai, S. | | Deposit date: | 2018-05-15 | | Release date: | 2019-04-17 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
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6DFW
 | | TCR 8F10 in complex with IAg7-p8G9E | | Descriptor: | 8F10 alpha chain, 8F10 beta chain, H-2 class II histocompatibility antigen, ... | | Authors: | Wang, Y, Dai, S. | | Deposit date: | 2018-05-15 | | Release date: | 2019-04-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
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6DFS
 | | mouse TCR I.29 in complex with IAg7-p8E9E6ss | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 class II histocompatibility antigen, A-D alpha chain, ... | | Authors: | Wang, Y, Dai, S. | | Deposit date: | 2018-05-15 | | Release date: | 2019-04-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
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7K3G
 | | SARS-CoV-2 Envelope Protein Transmembrane Domain: Pentameric Structure Determined by Solid-State NMR | | Descriptor: | Envelope small membrane protein | | Authors: | Mandala, V.S, Hong, M, McKay, M.J, Shcherbakov, A.S, Dregni, A.J. | | Deposit date: | 2020-09-11 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Structure and drug binding of the SARS-CoV-2 envelope protein transmembrane domain in lipid bilayers.
Nat.Struct.Mol.Biol., 27, 2020
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3IF5
 | | Crystal Structure Analysis of Mglu | | Descriptor: | Salt-tolerant glutaminase | | Authors: | Yoshimune, K, Shirakihara, Y. | | Deposit date: | 2009-07-24 | | Release date: | 2009-08-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Crystal structure of salt-tolerant glutaminase from Micrococcus luteus K-3 in the presence and absence of its product L-glutamate and its activator Tris.
Febs J., 277, 2010
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6B30
 | | Structure of RORgt in complex with a novel inverse agonist 1 | | Descriptor: | N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-N-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide, Nuclear receptor ROR-gamma | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2017-09-20 | | Release date: | 2018-01-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Discovery of orally efficacious ROR gamma t inverse agonists, part 1: Identification of novel phenylglycinamides as lead scaffolds.
Bioorg. Med. Chem., 26, 2018
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7X91
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7X8W
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7X8Z
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7X8Y
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7X90
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7X92
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5T8E
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5T8J
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6B31
 | | Structure of RORgt in complex with a novel inverse agonist 2 | | Descriptor: | (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide, Nuclear receptor ROR-gamma | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2017-09-20 | | Release date: | 2018-08-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Identification of novel quinazolinedione derivatives as ROR gamma t inverse agonist.
Bioorg. Med. Chem., 26, 2018
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5V8Q
 | | Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs): Part III | | Descriptor: | 4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, GLYCEROL | | Authors: | Wilson, K.P. | | Deposit date: | 2017-03-22 | | Release date: | 2017-05-24 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs) Part III: Discovery of 4-(5-oxopyrrolidine-1-yl)benzonitrile derivative 2f as a clinical candidate.
Bioorg. Med. Chem., 25, 2017
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6OVA
 | | Crystal Structure of TYK2 with novel pyrrolidinone inhibitor | | Descriptor: | 6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Skene, R.J, Hoffman, I.D. | | Deposit date: | 2019-05-07 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Efficient synthesis of tert-butyl 3-cyano-3-cyclopropyl-2-oxopyrrolidine-4-carboxylates: Highly functionalized 2-pyrrolidinone enabling access to novel macrocyclic Tyk2 inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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7POI
 | | Prodomain bound BMP10 crystal form 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, D(-)-TARTARIC ACID | | Authors: | Guo, J, Yu, M, Li, W. | | Deposit date: | 2021-09-09 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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7PPC
 | | Ternary signalling complex of BMP10 bound to ALK1 and BMPRII | | Descriptor: | Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, Serine/threonine-protein kinase receptor R3 | | Authors: | Guo, J, Yu, M, Read, R.J, Li, W. | | Deposit date: | 2021-09-13 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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7POJ
 | | Prodomain bound BMP10 crystal form 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, TETRAETHYLENE GLYCOL | | Authors: | Guo, J, Yu, M, Li, W. | | Deposit date: | 2021-09-09 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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7PPB
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7PPA
 | | High resolution structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10 | | Descriptor: | Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, GLYCEROL | | Authors: | Guo, J, Yu, M, Read, R.J, Li, W. | | Deposit date: | 2021-09-13 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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6MK9
 | | X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121 | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease | | Authors: | Yedidi, R.S, Hayashi, H, Das, D, Mitsuya, H. | | Deposit date: | 2018-09-25 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121
To Be Published
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