8IXV
| Crystal structure of intracellular B30.2 domain of BTN3A in complex with 2Cl-HMBPP | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2023-04-03 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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8IZG
| Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 5-HMBPP | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2023-04-07 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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5TKB
| CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 4D IN COMPLEX WITH A TETRAFLUORANLINE COMPOUND | Descriptor: | ETHANOL, MAGNESIUM ION, N-[(2R)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide, ... | Authors: | Sack, J.S. | Deposit date: | 2016-10-06 | Release date: | 2016-12-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling. Medchemcomm, 8, 2017
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8D35
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7C2L
| S protein of SARS-CoV-2 in complex bound with 4A8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, R.H, Zhang, Y.Y, Guo, Y.Y, Li, Y.N, Xia, L, Zhou, Q. | Deposit date: | 2020-05-08 | Release date: | 2020-07-01 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2. Science, 369, 2020
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5TKD
| CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH 6-[(3,5-DIMETHYLPHE NYL)AMINO]-8- (METHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBO XAMIDE | Descriptor: | 6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | Authors: | Muckelbauer, J.K. | Deposit date: | 2016-10-06 | Release date: | 2016-12-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling. Medchemcomm, 8, 2017
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8JGF
| CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22 | Descriptor: | BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | Deposit date: | 2023-05-20 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1. Nat Commun, 14, 2023
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8JGG
| CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22 | Descriptor: | BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Sun, J.P, Xu, H.E, Ynag, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | Deposit date: | 2023-05-20 | Release date: | 2024-01-10 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1. Nat Commun, 14, 2023
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8JGB
| CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist CNF-Tx2 | Descriptor: | Conorfamide-Tx2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | Deposit date: | 2023-05-20 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1. Nat Commun, 14, 2023
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4XXS
| Crystal structure of BACE1 with a pyrazole-substituted tetrahydropyran thioamidine | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Parris, K.D, Pandit, J. | Deposit date: | 2015-01-30 | Release date: | 2015-04-01 | Last modified: | 2015-04-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
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6LB9
| Magnesium ion-bound SspB crystal structure | Descriptor: | DUF4007 domain-containing protein, MAGNESIUM ION | Authors: | Liqiong, L, Yubing, Z. | Deposit date: | 2019-11-13 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.227 Å) | Cite: | SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities. Nat Microbiol, 5, 2020
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5C0R
| Crystal Structure of a Generation 3 Influenza Hemagglutinin Stabilized Stem Complexed with the Broadly Neutralizing Antibody C179 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C179 Fab heavy chain, ... | Authors: | Boyington, J.C, kwong, P.D, Nabel, G.J, Mascola, J.R. | Deposit date: | 2015-06-12 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.188 Å) | Cite: | Hemagglutinin-stem nanoparticles generate heterosubtypic influenza protection. Nat. Med., 21, 2015
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4YKD
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4YL6
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5CF8
| CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | Descriptor: | N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Sack, J.S. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms. Acs Med.Chem.Lett., 6, 2015
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4R8A
| Crystal structure of paFAN1 - 5' flap DNA complex | Descriptor: | DNA (5'-D(P*AP*CP*CP*AP*GP*AP*CP*AP*CP*AP*CP*AP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*TP*GP*TP*GP*TP*GP*TP*CP*TP*CP*AP*AP*TP*CP*CP*CP*AP*A)-3'), DNA (5'-D(P*GP*TP*TP*GP*GP*GP*AP*TP*TP*G)-3'), ... | Authors: | Cho, Y, Gwon, G.H, Kim, Y.R. | Deposit date: | 2014-08-30 | Release date: | 2014-10-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of a Fanconi anemia-associated nuclease homolog bound to 5' flap DNA: basis of interstrand cross-link repair by FAN1 Genes Dev., 28, 2014
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4IN0
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8GSD
| Echovirus3 full particle in complex with 6D10 Fab | Descriptor: | Genome polyprotein, Genome polyprotein (Fragment), Heavy chain of 6D10, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-09-06 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
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8GSF
| Echovirus3 empty particle in complex with 6D10 Fab (sideling) | Descriptor: | Heavy chain of 6D10, Light chain of 6D10, VP0, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-09-06 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
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8GSE
| Echovirus3 capsid protein in complex with 6D10 Fab (upright) | Descriptor: | Heavy chain of 6D10, Light chain of 6D10, VP0, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-09-06 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
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8GSC
| Echovirus3 A-particle in complex with 6D10 Fab | Descriptor: | Heavy chain of 6D10, Light chain of 6D10, VP1, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-09-06 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
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6INW
| A Pericyclic Reaction enzyme | Descriptor: | O-methyltransferase lepI, S-ADENOSYLMETHIONINE | Authors: | Feng, Y, Chang, M, Wang, H, Liu, Z, Zhou, Y. | Deposit date: | 2018-10-28 | Release date: | 2019-07-03 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Crystal structure of the multifunctional SAM-dependent enzyme LepI provides insights into its catalytic mechanism. Biochem.Biophys.Res.Commun., 515, 2019
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4ZQA
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4GUU
| Crystal structure of LSD2-NPAC with tranylcypromine | Descriptor: | Lysine-specific histone demethylase 1B, Putative oxidoreductase GLYR1, ZINC ION, ... | Authors: | Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Xu, Y. | Deposit date: | 2012-08-29 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation Mol.Cell, 49, 2013
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5UTB
| Met form of sperm whale myoglobin V68A/I107Y | Descriptor: | GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2017-02-14 | Release date: | 2018-02-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
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