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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7XXL
| RBD in complex with Fab14 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ... | Authors: | Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J. | Deposit date: | 2022-05-30 | Release date: | 2022-09-14 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (7.3 Å) | Cite: | Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth. Nat Commun, 13, 2022
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4BNE
| Pacsin2 Interacts with Membranes and Actin-Filaments | Descriptor: | PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 2, SULFATE ION, TRIETHYLENE GLYCOL | Authors: | Kostan, J, Salzer, U, Orlova, A, Toeroe, I, Hodnik, V, Schreiner, C, Merilainen, J, Nikki, M, Virtanen, I, Lehto, V.-P, Anderluh, G, Egelman, E.H, Djinovic-Carugo, K. | Deposit date: | 2013-05-15 | Release date: | 2014-05-14 | Last modified: | 2014-11-19 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Direct Interaction of Actin Filaments with F-Bar Protein Pacsin2. Embo Rep., 15, 2014
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5G2O
| Yersinia pestis FabV variant T276A | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | Deposit date: | 2016-04-11 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
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7FEE
| Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ... | Authors: | Wang, X, Zhao, C, Shao, Z. | Deposit date: | 2021-07-19 | Release date: | 2022-06-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Nat.Chem.Biol., 18, 2022
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5JAI
| Yersinia pestis FabV variant T276G | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | Deposit date: | 2016-04-12 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase. Biochemistry, 55, 2016
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5JAM
| Yersinia pestis FabV variant T276V | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | Deposit date: | 2016-04-12 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase. Biochemistry, 55, 2016
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5JAQ
| Yersinia pestis FabV variant T276C | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | Deposit date: | 2016-04-12 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase. Biochemistry, 55, 2016
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7WV9
| Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein | Descriptor: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, ... | Authors: | Xu, Z, Shao, Z. | Deposit date: | 2022-02-10 | Release date: | 2022-06-15 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Nat.Chem.Biol., 18, 2022
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7WZ5
| Larimichthys crocea IFNi | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon C | Authors: | Chen, J.J. | Deposit date: | 2022-02-17 | Release date: | 2023-02-08 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Molecular and Structural Basis of Receptor Binding and Signaling of a Fish Type I IFN with Three Disulfide Bonds. J Immunol., 209, 2022
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7Y4I
| Crystal structure of SPINDLY in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Probable UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase SPINDLY | Authors: | Xu, S.T, Wan, L.H. | Deposit date: | 2022-06-14 | Release date: | 2022-12-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural insights into mechanism and specificity of the plant protein O-fucosyltransferase SPINDLY. Nat Commun, 13, 2022
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3B8I
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7YDX
| Crystal structure of human RIPK1 kinase domain in complex with compound RI-962 | Descriptor: | 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S. | Deposit date: | 2022-07-04 | Release date: | 2023-04-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.642 Å) | Cite: | Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor. Nat Commun, 13, 2022
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4BKQ
| Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPZ3_3519 | Authors: | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | Deposit date: | 2013-04-29 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
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4BKR
| Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | Deposit date: | 2013-04-29 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
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3OHI
| Structure of Giardia fructose-1,6-biphosphate aldolase in complex with 3-hydroxy-2-pyridone | Descriptor: | ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid, Putative fructose-1,6-bisphosphate aldolase, ZINC ION | Authors: | Herzberg, O, Galkin, A. | Deposit date: | 2010-08-17 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational design, synthesis and evaluation of first generation inhibitors of the Giardia lamblia fructose-1,6-biphosphate aldolase. J.Inorg.Biochem., 105, 2010
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2DQ5
| solution structure of the Mid1 B Box2 Chc(D/C)C2H2 Zinc-Binding Domain: insights into an evolutionary conserved ring fold | Descriptor: | Midline-1, ZINC ION | Authors: | Massiah, M.A, Matts, J.A.B, Short, K.M, Simmons, B.N, Singireddy, S, Zou, J, Cox, T.C. | Deposit date: | 2006-05-20 | Release date: | 2007-04-03 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Solution Structure of the MID1 B-box2 CHC(D/C)C(2)H(2) Zinc-binding Domain: Insights into an Evolutionarily Conserved RING Fold J.Mol.Biol., 369, 2007
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6AR4
| Crystal structure of PICK1 in complex with the small molecule inhibitor 1o | Descriptor: | N-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-L-alanine, PRKCA-binding protein | Authors: | Marcotte, D. | Deposit date: | 2017-08-21 | Release date: | 2018-08-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Potent PDZ-Domain PICK1 Inhibitors that Modulate Amyloid Beta-Mediated Synaptic Dysfunction. Sci Rep, 8, 2018
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