6P44
 
 | | Crystal Structure of Ketosteroid Isomerase D38N mutant from Mycobacterium hassiacum (mhKSI) bound to 3,4-dinitrophenol | | Descriptor: | 3,4-dinitrophenol, GUANIDINE, SULFATE ION, ... | | Authors: | Yabukarski, F, Doukov, T, Pinney, M, Herschlag, D. | | Deposit date: | 2019-05-25 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.251 Å) | | Cite: | Parallel molecular mechanisms for enzyme temperature adaptation.
Science, 371, 2021
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7NXF
 | | Structure of the fungal plasma membrane proton pump Pma1 in its auto-inhibited state - monomer unit | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Heit, S, Geurts, M.M.G, Murphy, B.J, Corey, R, Mills, D.J, Kuehlbrandt, W, Bublitz, M. | | Deposit date: | 2021-03-18 | | Release date: | 2021-11-17 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure of the hexameric fungal plasma membrane proton pump in its autoinhibited state.
Sci Adv, 7, 2021
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8J1J
 | | Cryo-EM structure of the AsCas12f-YHAM-sgRNAS3-5v7-target DNA | | Descriptor: | DNA (38-MER), MAGNESIUM ION, RNA (118-MER), ... | | Authors: | Hino, T, Omura, N.S, Nakagawa, R, Togashi, T, Takeda, N.S, Hiramoto, T, Tasaka, S, Hirano, H, Tokuyama, T, Uosaki, H, Ishiguro, H, Yamano, H, Ozaki, Y, Motooka, D, Mori, H, Kirita, Y, Kise, Y, Itoh, Y, Matoba, S, Aburatani, H, Yachie, N, Siksnys, V, Ohmori, T, Hoshino, A, Nureki, O. | | Deposit date: | 2023-04-13 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Minimal and most efficient genome editing Cas enzyme
To Be Published
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4Y0U
 | | Crystal Structure of 6Alpha-Hydroxymethylpenicillanate Complexed with OXA-58, a Carbapenem hydrolyzing Class D betalactamase from Acinetobacter baumanii. | | Descriptor: | 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase | | Authors: | Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P. | | Deposit date: | 2015-02-06 | | Release date: | 2016-01-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
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5IK8
 | | Laminin A2LG45 I-form, G6/7 bound. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-hydroxy-4-methyl-2H-chromen-2-one, ... | | Authors: | Briggs, D.C, Hohenester, E, Campbell, K.P. | | Deposit date: | 2016-03-03 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of laminin binding to the LARGE glycans on dystroglycan.
Nat.Chem.Biol., 12, 2016
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6SP7
 | | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with Taniborbactam (VNRX-5133) | | Descriptor: | (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2, ... | | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | | Deposit date: | 2019-08-31 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-beta-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections.
J.Med.Chem., 63, 2020
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6P8P
 | | Structure of P. aeruginosa ATCC27853 HORMA1 | | Descriptor: | CALCIUM ION, Uncharacterized protein | | Authors: | Ye, Q, Corbett, K.D. | | Deposit date: | 2019-06-07 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.635 Å) | | Cite: | HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
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6SDU
 | | Xyloglucanase domain of NopAA, a type three effector from Sinorhizobium fredii in complex with cellobiose | | Descriptor: | Type III effector NopAA, beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Dorival, D, Philys, S, Guintini, E, Brailly, R, de Ruyck, J, Czjzek, M, Biondi, E. | | Deposit date: | 2019-07-29 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and enzymatic characterisation of the Type III effector NopAA (=GunA) from Sinorhizobium fredii USDA257 reveals a Xyloglucan hydrolase activity.
Sci Rep, 10, 2020
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7OEA
 | | Lassa virus L protein bound to 3' promoter RNA (well-resolved polymerase core) [3END-CORE] | | Descriptor: | 3' vRNA, MAGNESIUM ION, RNA-directed RNA polymerase L, ... | | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | | Deposit date: | 2021-05-02 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
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6MRV
 | | Sialidase26 co-crystallized with DANA | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Sialidase26 | | Authors: | Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Chang, G, Varki, A, Zengler, K. | | Deposit date: | 2018-10-15 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
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7OEB
 | | Lassa virus L protein bound to 3' promoter RNA (well-resolved endonuclease) [3END-ENDO] | | Descriptor: | 3' vRNA, MAGNESIUM ION, RNA-directed RNA polymerase L, ... | | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | | Deposit date: | 2021-05-02 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
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6SHJ
 | | Escherichia coli AGPase in complex with FBP. Symmetry applied C2 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase | | Authors: | Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E. | | Deposit date: | 2019-08-07 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM.
Curr Res Struct Biol, 2, 2020
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7OBB
 | | Cryo-EM structure of human RNA Polymerase I Open Complex | | Descriptor: | DNA non-template strand, DNA template strand, DNA-directed RNA polymerase I subunit RPA1, ... | | Authors: | Misiaszek, A.D, Girbig, M, Mueller, C.W. | | Deposit date: | 2021-04-21 | | Release date: | 2021-12-08 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures of human RNA polymerase I.
Nat.Struct.Mol.Biol., 28, 2021
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5ML5
 | | Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b | | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Buehrmann, M, Rauh, D. | | Deposit date: | 2016-12-06 | | Release date: | 2017-04-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.
Molecules, 22, 2017
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6PL9
 | | Adduct formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidaz ol-2-ylidene)(eta5-pentamethylcyclopentadienyl)rhodium(III) with HEWL | | Descriptor: | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole, Lysozyme, SODIUM ION, ... | | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | | Deposit date: | 2019-06-30 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation.
Angew.Chem.Int.Ed.Engl., 2021
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6MTO
 | | Crystal structure of VRC42.01 Fab in complex with T117-F MPER scaffold | | Descriptor: | Antibody VRC42.01 Fab heavy chain, Antibody VRC42.01 Fab light chain, VRC42 epitope T117-F scaffold | | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | | Deposit date: | 2018-10-21 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.634 Å) | | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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6MTR
 | | Crystal structure of VRC43.01 Fab | | Descriptor: | Antibody VRC43.01 Fab heavy chain, Antibody VRC43.01 Fab light chain | | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | | Deposit date: | 2018-10-21 | | Release date: | 2019-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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7T1C
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7O4H
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7NTN
 | | The structure of RRM domain of human TRMT2A at 2 A resolution | | Descriptor: | CHLORIDE ION, SODIUM ION, SULFATE ION, ... | | Authors: | Davydova, E, Janowski, R, Witzenberger, M, Niessing, D. | | Deposit date: | 2021-03-10 | | Release date: | 2022-01-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.016 Å) | | Cite: | Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.
Comput Struct Biotechnol J, 20, 2022
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8PZO
 | | LpdD | | Descriptor: | Protein LpdD, SODIUM ION | | Authors: | Gahloth, D, Leys, D. | | Deposit date: | 2023-07-27 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of LpdD from Lactobacillus plantarum.
To Be Published
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5MST
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6SNW
 | | Structure of Coxsackievirus A10 complexed with its receptor KREMEN1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein VP1, Capsid protein VP3, ... | | Authors: | Zhao, Y, Zhou, D, Ni, T, Karia, D, Kotecha, A, Wang, X, Rao, Z, Jones, E.Y, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2019-08-27 | | Release date: | 2020-01-15 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Hand-foot-and-mouth disease virus receptor KREMEN1 binds the canyon of Coxsackie Virus A10.
Nat Commun, 11, 2020
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6MUZ
 | | Lysozyme, room temperature structure solved by serial 3 degree oscillation crystallography | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Kriksunov, I, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-10-24 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.839 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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5MTX
 | | Dibenzooxepinone inhibitor 12b in complex with p38 MAPK | | Descriptor: | 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Buehrmann, M, Rauh, D. | | Deposit date: | 2017-01-11 | | Release date: | 2017-09-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine.
J. Med. Chem., 60, 2017
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