5Q0G
 
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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7OOR
 | | NaK C-DI mutant with Na+ and K+ | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | Authors: | Minniberger, S, Plested, A.J.R. | | Deposit date: | 2021-05-28 | | Release date: | 2022-06-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
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7OPH
 | | NaK S-DI mutant with Na+ and K+ | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | Authors: | Minniberger, S, Plested, A.J.R. | | Deposit date: | 2021-05-31 | | Release date: | 2022-06-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
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7OOU
 | | NaK C-DI mutant with Li+ and K+ | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | | Authors: | Minniberger, S, Plested, A.J.R. | | Deposit date: | 2021-05-28 | | Release date: | 2022-06-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
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7OQ1
 | | NaK S-ELM mutant with Na+ and K+ | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | | Authors: | Minniberger, S, Plested, A.J.R. | | Deposit date: | 2021-06-02 | | Release date: | 2022-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
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7P49
 | | HLA-E*01:03 in complex with Mtb14 | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Walters, L.C, Gillespie, G.M. | | Deposit date: | 2021-07-10 | | Release date: | 2022-06-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Primary and secondary functions of HLA-E are determined by stability and conformation of the peptide-bound complexes.
Cell Rep, 39, 2022
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7OQ2
 | | NaK S-DI mutant soaked in Na+ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Minniberger, S, Plested, A.J.R. | | Deposit date: | 2021-06-02 | | Release date: | 2022-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
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7P4B
 | | HLA-E*01:03 in complex with IL9 | | Descriptor: | Beta-2-microglobulin, ESAT-6-like protein EsxH, GLYCEROL, ... | | Authors: | Walters, L.C, Gillespie, G.M. | | Deposit date: | 2021-07-10 | | Release date: | 2022-07-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Primary and secondary functions of HLA-E are determined by stability and conformation of the peptide-bound complexes.
Cell Rep, 39, 2022
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2XEM
 | | Induced-fit and allosteric effects upon polyene binding revealed by crystal structures of the Dynemicin thioesterase | | Descriptor: | (3E,5E,7E,9E,11E,13E)-pentadeca-3,5,7,9,11,13-hexaen-2-one, DYNE7 | | Authors: | Liew, C.W, Sharff, A, Kotaka, M, Kong, R, Bricogne, G, Liang, Z.X, Lescar, J. | | Deposit date: | 2010-05-17 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Induced-Fit Upon Ligand Binding Revealed by Crystal Structures of the Hot-Dog Fold Thioesterase in Dynemicin Biosynthesis.
J.Mol.Biol., 404, 2010
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5TKT
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE | | Descriptor: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2, ... | | Authors: | Sheriff, S. | | Deposit date: | 2016-10-07 | | Release date: | 2017-03-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
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5TKS
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | | Descriptor: | ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, 1,2-ETHANEDIOL, Coagulation factor XI, ... | | Authors: | Sheriff, S. | | Deposit date: | 2016-10-07 | | Release date: | 2017-03-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
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5TKU
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | | Descriptor: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]N ONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, ... | | Authors: | Sheriff, S. | | Deposit date: | 2016-10-07 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
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6R5F
 | | Crystal structure of RIP1 kinase in complex with DHP77 | | Descriptor: | Receptor-interacting serine/threonine-protein kinase 1, [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone | | Authors: | Thorpe, J.H, Campobasso, N, Harris, P.A. | | Deposit date: | 2019-03-25 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J.Med.Chem., 62, 2019
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6LGW
 | | Structure of Rabies virus glycoprotein in complex with neutralizing antibody 523-11 at acidic pH | | Descriptor: | Glycoprotein, scFv 523-11 | | Authors: | Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W. | | Deposit date: | 2019-12-06 | | Release date: | 2020-02-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9037 Å) | | Cite: | Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody.
Cell Host Microbe, 27, 2020
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6LGX
 | | Structure of Rabies virus glycoprotein at basic pH | | Descriptor: | Glycoprotein,Glycoprotein,Glycoprotein | | Authors: | Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W. | | Deposit date: | 2019-12-06 | | Release date: | 2020-02-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.097 Å) | | Cite: | Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody.
Cell Host Microbe, 27, 2020
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7KXD
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7KXF
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7KXE
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6XLI
 | | CRYSTAL STRUCTURE OF ANTI-TAU ANTIBODY PT3 Fab+pT212/pT217-TAU PEPTIDE | | Descriptor: | GLYCEROL, PT3 Fab Heavy Chain, PT3 Fab Light Chain, ... | | Authors: | Malia, T.J, Teplyakov, A, Luo, J. | | Deposit date: | 2020-06-28 | | Release date: | 2020-09-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and Functional Characterization of hPT3, a Humanized Anti-Phospho Tau Selective Monoclonal Antibody.
J Alzheimers Dis, 77, 2020
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7YUY
 | | Structure of a mutated membrane-bound glycosyltransferase | | Descriptor: | (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J. | | Deposit date: | 2022-08-18 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1.
Nature, 616, 2023
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3GMH
 | | Crystal Structure of the Mad2 Dimer | | Descriptor: | Mitotic spindle assembly checkpoint protein MAD2A, SULFATE ION | | Authors: | Ozkan, E, Luo, X, Machius, M, Yu, H, Deisenhofer, J. | | Deposit date: | 2009-03-13 | | Release date: | 2010-11-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.95 Å) | | Cite: | Structure of an intermediate conformer of the spindle checkpoint protein Mad2.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6J6M
 | | Co-crystal structure of BTK kinase domain with Zanubrutinib | | Descriptor: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK | | Authors: | Zhou, X, Hong, Y. | | Deposit date: | 2019-01-15 | | Release date: | 2019-10-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
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8Y8E
 | | Structure of HCoV-HKU1C spike in the inactive-2up conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-17 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 187, 2024
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8Y8I
 | | Structure of HCoV-HKU1C spike in the glycan-activated-3up conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-17 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 187, 2024
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8Y87
 | | Structure of HCoV-HKU1C spike in the functionally anchored-1up conformation with 1TMPRSS2 | | 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: | Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-17 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 187, 2024
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