7OQ1
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![BU of 7oq1 by Molmil](/molmil-images/mine/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
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![BU of 7p49 by Molmil](/molmil-images/mine/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: | 2024-01-31 | 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
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![BU of 7oq2 by Molmil](/molmil-images/mine/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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7OOR
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![BU of 7oor by Molmil](/molmil-images/mine/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
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![BU of 7oph by Molmil](/molmil-images/mine/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
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![BU of 7oou by Molmil](/molmil-images/mine/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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7P4B
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![BU of 7p4b by Molmil](/molmil-images/mine/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: | 2024-01-31 | 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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7PA0
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![BU of 7pa0 by Molmil](/molmil-images/mine/7pa0) | NaK C-DI F92A mutant with Rb+ and K+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2021-07-28 | Release date: | 2022-08-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 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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8A7X
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![BU of 8a7x by Molmil](/molmil-images/mine/8a7x) | NaK C-DI F92A mutant soaked in Cs+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CESIUM ION, POTASSIUM ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2022-06-21 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 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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8AYQ
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![BU of 8ayq by Molmil](/molmil-images/mine/8ayq) | NaK C-DI mutant with Rb+ and Ca2+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2022-09-02 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel. J.Chem.Inf.Model., 63, 2023
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8AYP
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![BU of 8ayp by Molmil](/molmil-images/mine/8ayp) | NaK C-DI mutant with Rb+ and Ba2+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BARIUM ION, Potassium channel protein, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2022-09-02 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel. J.Chem.Inf.Model., 63, 2023
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8A35
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![BU of 8a35 by Molmil](/molmil-images/mine/8a35) | NaK C-DI mutant with Rb+ and Na+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, RUBIDIUM ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2022-06-07 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 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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7KXD
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![BU of 7kxd by Molmil](/molmil-images/mine/7kxd) | |
7KXE
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![BU of 7kxe by Molmil](/molmil-images/mine/7kxe) | |
7KXF
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![BU of 7kxf by Molmil](/molmil-images/mine/7kxf) | |
5TKT
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![BU of 5tkt by Molmil](/molmil-images/mine/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: | 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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4ZNQ
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![BU of 4znq by Molmil](/molmil-images/mine/4znq) | Crystal structure of Dln1 complexed with Man(alpha1-2)Man | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | Deposit date: | 2015-05-05 | Release date: | 2016-01-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein. Embo Rep., 17, 2016
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4ZNO
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![BU of 4zno by Molmil](/molmil-images/mine/4zno) | Crystal structure of Dln1 complexed with sucrose | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Natterin-like protein, ... | Authors: | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | Deposit date: | 2015-05-05 | Release date: | 2016-01-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein. Embo Rep., 17, 2016
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4ZNR
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![BU of 4znr by Molmil](/molmil-images/mine/4znr) | Crystal structure of Dln1 complexed with Man(alpha1-3)Man | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | Deposit date: | 2015-05-05 | Release date: | 2016-01-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein. Embo Rep., 17, 2016
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5TKS
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![BU of 5tks by Molmil](/molmil-images/mine/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: | 2023-10-04 | 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
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![BU of 5tku by Molmil](/molmil-images/mine/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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8QB3
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![BU of 8qb3 by Molmil](/molmil-images/mine/8qb3) | ADDobody zinc containing condition | Descriptor: | ADDobody, ZINC ION | Authors: | Buzas, D, Toelzer, C, Berger, I, Schaffitzel, C. | Deposit date: | 2023-08-24 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders. Structure, 32, 2024
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8QBX
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![BU of 8qbx by Molmil](/molmil-images/mine/8qbx) | Chimeric Adenovirus-derived dodecamer | Descriptor: | Penton protein | Authors: | Buzas, D, Borucu, U, Bufton, J, Kapadalakere, S.Y, Toelzer, C. | Deposit date: | 2023-08-25 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders. Structure, 32, 2024
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6LRL
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![BU of 6lrl by Molmil](/molmil-images/mine/6lrl) | Human cGAS catalytic domain bound with compound s2 | Descriptor: | 3-[[5-(1,2,4-triazol-4-yl)-4H-1,2,4-triazol-3-yl]carbonylamino]benzoic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | Deposit date: | 2020-01-16 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.655 Å) | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing. J.Chem.Inf.Model., 60, 2020
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6LRJ
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![BU of 6lrj by Molmil](/molmil-images/mine/6lrj) | Human cGAS catalytic domain bound with compound 23 | Descriptor: | 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | Deposit date: | 2020-01-16 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing. J.Chem.Inf.Model., 60, 2020
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