8UUG
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![BU of 8uug by Molmil](/molmil-images/mine/8uug) | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303 | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-01 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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7QD6
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![BU of 7qd6 by Molmil](/molmil-images/mine/7qd6) | Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in complex with strand-transfer like DNA product | Descriptor: | IR71st non transferred strand, IR71st transferred strand, Transposase for transposon Tn4430 | Authors: | Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G. | Deposit date: | 2021-11-26 | Release date: | 2022-10-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insight into Tn3 family transposition mechanism. Nat Commun, 13, 2022
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6QZL
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![BU of 6qzl by Molmil](/molmil-images/mine/6qzl) | Structure of the H1 domain of human KCTD12 | Descriptor: | BTB/POZ domain-containing protein KCTD12 | Authors: | Pinkas, D.M, Bufton, J.C, Fox, A.E, Newman, J.A, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2019-03-11 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure of the H1 domain of human KCTD12 To be published
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6GZV
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![BU of 6gzv by Molmil](/molmil-images/mine/6gzv) | Identification of a druggable VP1-VP3 interprotomer pocket in the capsid of enteroviruses | Descriptor: | 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid, Capsid protein VP1, Capsid protein VP2, ... | Authors: | Geraets, J.A, Flatt, J.W, Domanska, A, Butcher, S.J. | Deposit date: | 2018-07-05 | Release date: | 2019-06-05 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | A novel druggable interprotomer pocket in the capsid of rhino- and enteroviruses. Plos Biol., 17, 2019
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6VB2
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![BU of 6vb2 by Molmil](/molmil-images/mine/6vb2) | |
4RP4
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![BU of 4rp4 by Molmil](/molmil-images/mine/4rp4) | |
7UN7
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![BU of 7un7 by Molmil](/molmil-images/mine/7un7) | |
4RPK
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![BU of 4rpk by Molmil](/molmil-images/mine/4rpk) | Crystal structure of Micobacterium tuberculosis UDP-Galactopyranose mutase in complex with tetrafluorinated substrate analog UDP-F4-Galf | Descriptor: | (2R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,3,4,4-tetrafluorotetrahydrofuran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase | Authors: | Van Straaten, K.E, Sanders, D.A.R. | Deposit date: | 2014-10-30 | Release date: | 2015-01-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Basis of Ligand Binding to UDP-Galactopyranose Mutase from Mycobacterium tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues. J.Am.Chem.Soc., 137, 2015
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7Q66
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![BU of 7q66 by Molmil](/molmil-images/mine/7q66) | Cryo-em structure of the Nup98 fibril polymorph 3 | Descriptor: | Nuclear pore complex protein Nup98 | Authors: | Ibanez de Opakua, A, Geraets, J.A, Frieg, B, Dienemann, C, Savastano, A, Rankovic, M, Cima-Omori, M.-S, Schroeder, G.F, Zweckstetter, M. | Deposit date: | 2021-11-05 | Release date: | 2022-10-12 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Molecular interactions of FG nucleoporin repeats at high resolution. Nat.Chem., 14, 2022
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6FJ2
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![BU of 6fj2 by Molmil](/molmil-images/mine/6fj2) | |
8W0V
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5FV3
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![BU of 5fv3 by Molmil](/molmil-images/mine/5fv3) | Crystal structure of human JARID1B construct c2 in complex with N- Oxalylglycine. | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2016-02-02 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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8R5Y
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7QD5
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![BU of 7qd5 by Molmil](/molmil-images/mine/7qd5) | Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in complex with 48 bp long transposon end DNA | Descriptor: | IR48 DNA substrate, non transferred strand, IR48 transferred strand, ... | Authors: | Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G. | Deposit date: | 2021-11-26 | Release date: | 2022-10-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insight into Tn3 family transposition mechanism. Nat Commun, 13, 2022
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8W0W
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4Y4W
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![BU of 4y4w by Molmil](/molmil-images/mine/4y4w) | |
8QUC
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![BU of 8quc by Molmil](/molmil-images/mine/8quc) | Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT1 | Descriptor: | (5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G, Large, C, Lakshminaraya, B, Williams, E, Sauer, D.B. | Deposit date: | 2023-10-16 | Release date: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | The binding and mechanism of a positive allosteric modulator of Kv3 channels. Nat Commun, 15, 2024
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6XN2
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![BU of 6xn2 by Molmil](/molmil-images/mine/6xn2) | Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylotriose | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T. | Deposit date: | 2020-07-02 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.652 Å) | Cite: | Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations. Nat Commun, 12, 2021
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8UUH
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![BU of 8uuh by Molmil](/molmil-images/mine/8uuh) | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199 | Descriptor: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | Deposit date: | 2023-11-01 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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6VE8
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![BU of 6ve8 by Molmil](/molmil-images/mine/6ve8) | Structure of the Glutamate-Like Receptor GLR3.2 ligand-binding domain in complex with Methionine | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Gangwar, S.P, Green, M.N, Yoder, J.B, Sobolevsky, A.I. | Deposit date: | 2019-12-30 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of the Arabidopsis Glutamate Receptor-like Channel GLR3.2 Ligand-Binding Domain. Structure, 29, 2021
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6VEA
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![BU of 6vea by Molmil](/molmil-images/mine/6vea) | Structure of the Glutamate-Like Receptor GLR3.2 ligand-binding domain in complex with Glycine | Descriptor: | BETA-MERCAPTOETHANOL, GLYCINE, Glutamate receptor 3.2, ... | Authors: | Gangwar, S.P, Green, M.N, Yoder, J.B, Sobolevsky, A.I. | Deposit date: | 2019-12-30 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structure of the Arabidopsis Glutamate Receptor-like Channel GLR3.2 Ligand-Binding Domain. Structure, 29, 2021
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5FQK
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![BU of 5fqk by Molmil](/molmil-images/mine/5fqk) | W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A bound to 5(6)-nitrobenzotriazole (TS-analog) | Descriptor: | 6-NITROBENZOTRIAZOLE, GNCA4 LACTAMASE W229D AND F290W | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.767 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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7UEH
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![BU of 7ueh by Molmil](/molmil-images/mine/7ueh) | Pyruvate kinase from Zymomonas mobilis | Descriptor: | GLYCEROL, PHOSPHATE ION, Pyruvate kinase | Authors: | McFarlane, J.S, Meneely, K.M, Lamb, A.L. | Deposit date: | 2022-03-21 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The 2.4 angstrom structure of Zymomonas mobilis pyruvate kinase: Implications for stability and regulation. Arch.Biochem.Biophys., 744, 2023
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5XVU
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![BU of 5xvu by Molmil](/molmil-images/mine/5xvu) | Crystal structure of the protein kinase CK2 catalytic domain from Plasmodium falciparum bound to ATP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | El Sahili, A, Lescar, J, Ruiz-Carrillo, D, Lin, J.Q. | Deposit date: | 2017-06-28 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The protein kinase CK2 catalytic domain from Plasmodium falciparum: crystal structure, tyrosine kinase activity and inhibition. Sci Rep, 8, 2018
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6XOK
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![BU of 6xok by Molmil](/molmil-images/mine/6xok) | |