5DU7
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6GW9
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![BU of 6gw9 by Molmil](/molmil-images/mine/6gw9) | Concanavalin A structure determined with data from the EuXFEL, the first MHz free electron laser | Descriptor: | CALCIUM ION, Concanavalin V, MAGNESIUM ION | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-06-22 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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4ENS
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![BU of 4ens by Molmil](/molmil-images/mine/4ens) | Structure of E530Q variant of E. coli KatE | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Loewen, P.C, Jha, V. | Deposit date: | 2012-04-13 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Influence of main channel structure on H(2)O(2) access to the heme cavity of catalase KatE of Escherichia coli. Arch.Biochem.Biophys., 526, 2012
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7FH0
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6T8N
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![BU of 6t8n by Molmil](/molmil-images/mine/6t8n) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ... | Authors: | Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-10-24 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 To Be Published
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1V4E
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![BU of 1v4e by Molmil](/molmil-images/mine/1v4e) | Crystal Structure of Octaprenyl Pyrophosphate Synthase from Hyperthermophilic Thermotoga maritima | Descriptor: | SULFATE ION, octoprenyl-diphosphate synthase | Authors: | Guo, R.T, Kuo, C.J, Chou, C.C, Ko, T.P, Shr, H.L, Liang, P.H, Wang, A.H.-J. | Deposit date: | 2003-11-13 | Release date: | 2004-03-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal Structure of Octaprenyl Pyrophosphate Synthase from Hyperthermophilic Thermotoga maritima and Mechanism of Product Chain Length Determination J.Biol.Chem., 279, 2004
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7F02
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![BU of 7f02 by Molmil](/molmil-images/mine/7f02) | Cytochrome c-type biogenesis protein CcmABCD from E. coli | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ... | Authors: | Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P. | Deposit date: | 2021-06-03 | Release date: | 2022-11-09 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Structures of the CcmABCD heme release complex at multiple states. Nat Commun, 13, 2022
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5E0G
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![BU of 5e0g by Molmil](/molmil-images/mine/5e0g) | 1.20 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (17-mer) inhibitor | Descriptor: | (phenylmethyl) ~{N}-[(8~{S},11~{S},14~{S})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate, CHLORIDE ION, Norovirus 3C-like protease | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Weerawarna, P.M, Kim, Y, Kankanamalage, A.C.G, Damalanka, V.C, Lushington, G.H, Alliston, K.R, Chang, K.-O, Groutas, W.C. | Deposit date: | 2015-09-28 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies. Eur.J.Med.Chem., 119, 2016
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7V1I
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6T8S
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2XI4
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![BU of 2xi4 by Molmil](/molmil-images/mine/2xi4) | Torpedo californica Acetylcholinesterase in Complex with Aflatoxin B1 (Orthorhombic Space Group) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, AFLATOXIN B1, ... | Authors: | Sanson, B, Colletier, J.P, Xu, Y, Lang, P.T, Jiang, H, Silman, I, Sussman, J.L, Weik, M. | Deposit date: | 2010-06-28 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Backdoor Opening Mechanism in Acetylcholinesterase Based on X-Ray Crystallography and Molecular Dynamics Simulations. Protein Sci., 20, 2011
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2Q1O
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7V1G
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6H08
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![BU of 6h08 by Molmil](/molmil-images/mine/6h08) | The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a His175Me-His proximal ligand substitution | Descriptor: | COBALT (II) ION, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Ortmayer, M, Levy, C, Green, A.P. | Deposit date: | 2018-07-06 | Release date: | 2020-02-12 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rewiring the "Push-Pull" Catalytic Machinery of a Heme Enzyme Using an Expanded Genetic Code. Acs Catalysis, 10, 2020
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7UPT
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![BU of 7upt by Molmil](/molmil-images/mine/7upt) | Human mitochondrial AAA protein ATAD1 (with a catalytic dead mutation) in complex with a peptide substrate (open conformation) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wang, L, Toutkoushian, H, Belyy, V, Kokontis, C, Walter, P. | Deposit date: | 2022-04-16 | Release date: | 2022-06-15 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Conserved structural elements specialize ATAD1 as a membrane protein extraction machine. Elife, 11, 2022
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6BUM
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![BU of 6bum by Molmil](/molmil-images/mine/6bum) | Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica | Descriptor: | 1,3-PROPANDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Shi, K, Cho, S, Seffernick, J.L, Bera, A, Wackett, L.P, Aihara, H. | Deposit date: | 2017-12-11 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis. Plos One, 14, 2019
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7V1E
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6WJA
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1KHG
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![BU of 1khg by Molmil](/molmil-images/mine/1khg) | PEPCK | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ... | Authors: | Dunten, P, Belunis, C, Crowther, R, Hollfelder, K, Kammlott, U, Levin, W, Michel, H, Ramsey, G.B, Swain, A, Weber, D, Wertheimer, S.J. | Deposit date: | 2001-11-29 | Release date: | 2002-02-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site. J.Mol.Biol., 316, 2002
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2XCJ
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![BU of 2xcj by Molmil](/molmil-images/mine/2xcj) | Crystal structure of P2 C, the immunity repressor of temperate E. coli phage P2 | Descriptor: | C PROTEIN, FORMIC ACID, GLYCEROL, ... | Authors: | Massad, T, Skaar, K, Hogbom, M, Stenmark, P. | Deposit date: | 2010-04-23 | Release date: | 2010-07-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the P2 C-Repressor: A Binder of Non-Palindromic Direct DNA Repeats. Nucleic Acids Res., 38, 2010
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4RET
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![BU of 4ret by Molmil](/molmil-images/mine/4ret) | Crystal structure of the Na,K-ATPase E2P-digoxin complex with bound magnesium | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Gregersen, J.L, Laursen, M, Yatime, L, Nissen, P, Fedosova, N.U. | Deposit date: | 2014-09-23 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structures and characterization of digoxin- and bufalin-bound Na+,K+-ATPase compared with the ouabain-bound complex. Proc.Natl.Acad.Sci.USA, 112, 2015
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6TD0
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![BU of 6td0 by Molmil](/molmil-images/mine/6td0) | Crystal structure of vaborbactam bound to KPC-2 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-11-07 | Release date: | 2020-01-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition. Rsc Med Chem, 11, 2020
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6WH9
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![BU of 6wh9 by Molmil](/molmil-images/mine/6wh9) | Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 1D10 | Descriptor: | 1D10 (Fab heavy chain), 1D10 (Fab light chain), KR1, ... | Authors: | Cogan, D.P, Mathews, I.I, Khosla, C. | Deposit date: | 2020-04-07 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction. J.Am.Chem.Soc., 142, 2020
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6BH9
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![BU of 6bh9 by Molmil](/molmil-images/mine/6bh9) | Caspase-3 Mutant - T152A | Descriptor: | Ac-Asp-Glu-Val-Asp-CMK, CHLORIDE ION, Caspase-3, ... | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | Deposit date: | 2017-10-30 | Release date: | 2018-02-21 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases. J. Biol. Chem., 293, 2018
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7UYU
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![BU of 7uyu by Molmil](/molmil-images/mine/7uyu) | Crystal structure of TYK2 kinase domain in complex with compound 30 | Descriptor: | 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | Deposit date: | 2022-05-07 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Bioorg.Med.Chem.Lett., 73, 2022
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