6O4B
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![BU of 6o4b by Molmil](/molmil-images/mine/6o4b) | Structure of ALDH7A1 mutant W175G complexed with NAD | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ... | Authors: | Tanner, J.J, Korasick, D.A, Laciak, A.R. | Deposit date: | 2019-02-28 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1. Febs J., 287, 2020
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7S01
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![BU of 7s01 by Molmil](/molmil-images/mine/7s01) | X-ray structure of the phage AR9 non-virion RNA polymerase holoenzyme in complex with a forked oligonucleotide containing the P077 promoter | Descriptor: | DNA-directed RNA polymerase, DNA-directed RNA polymerase beta subunit, DNA-directed RNA polymerase beta' subunit, ... | Authors: | Leiman, P.G, Sokolova, M.L, Gordeeva, J, Fraser, A, Severinov, K.V. | Deposit date: | 2021-08-28 | Release date: | 2022-07-06 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural basis of template strand deoxyuridine promoter recognition by a viral RNA polymerase. Nat Commun, 13, 2022
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7A0B
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![BU of 7a0b by Molmil](/molmil-images/mine/7a0b) | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-3,4-dihydroxysulfolane | Descriptor: | (3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Nguyen, D, Heine, A, Klebe, G. | Deposit date: | 2020-08-07 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7A4K
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![BU of 7a4k by Molmil](/molmil-images/mine/7a4k) | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with tetramethylene sulfoxide | Descriptor: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... | Authors: | Nguyen, D, Heine, A, Klebe, G. | Deposit date: | 2020-08-19 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7S51
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![BU of 7s51 by Molmil](/molmil-images/mine/7s51) | Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATA peptide | Descriptor: | LEU-PRO-ALA-THR-ALA, Sortase | Authors: | Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F. | Deposit date: | 2021-09-09 | Release date: | 2022-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition. J.Biol.Chem., 298, 2022
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7S4O
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![BU of 7s4o by Molmil](/molmil-images/mine/7s4o) | Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATS peptide | Descriptor: | LEU-PRO-ALA-THR-SER-GLY, Sortase | Authors: | Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F. | Deposit date: | 2021-09-09 | Release date: | 2022-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.396 Å) | Cite: | Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition. J.Biol.Chem., 298, 2022
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8SZZ
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![BU of 8szz by Molmil](/molmil-images/mine/8szz) | |
7PXC
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![BU of 7pxc by Molmil](/molmil-images/mine/7pxc) | Substrate-engaged mycobacterial Proteasome-associated ATPase in complex with open-gate 20S CP - composite map (state A) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Jomaa, A, Kavalchuk, M, Weber-Ban, E. | Deposit date: | 2021-10-08 | Release date: | 2022-01-19 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | Structural basis of prokaryotic ubiquitin-like protein engagement and translocation by the mycobacterial Mpa-proteasome complex. Nat Commun, 13, 2022
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6ONX
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![BU of 6onx by Molmil](/molmil-images/mine/6onx) | Dehaloperoxidase B in complex with substrate 4-Br-cresol | Descriptor: | 1,2-ETHANEDIOL, 4-bromo-2-methylphenol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | Deposit date: | 2019-04-22 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants. Arch.Biochem.Biophys., 673, 2019
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6ZUI
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![BU of 6zui by Molmil](/molmil-images/mine/6zui) | Crystal structure of the Cys-Ser mutant of the cpYFP-based biosensor for hypochlorous acid | Descriptor: | HTH-type transcriptional repressor NemR,Green fluorescent protein,Green fluorescent protein,HTH-type transcriptional repressor NemR | Authors: | Tossounian, M.A, Van Molle, I, Messens, J. | Deposit date: | 2020-07-23 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.200082 Å) | Cite: | Hypocrates is a genetically encoded fluorescent biosensor for (pseudo)hypohalous acids and their derivatives. Nat Commun, 13, 2022
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6O9N
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![BU of 6o9n by Molmil](/molmil-images/mine/6o9n) | Structural insights on a new fungal aryl-alcohol oxidase | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kadowaki, M.A.S, Polikarpov, I. | Deposit date: | 2019-03-14 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Enzymatic versatility and thermostability of a new aryl-alcohol oxidase from Thermothelomyces thermophilus M77. Biochim Biophys Acta Gen Subj, 1864, 2020
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5LC3
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![BU of 5lc3 by Molmil](/molmil-images/mine/5lc3) | Xray structure of mouse FAM3C ILEI monomer | Descriptor: | Protein FAM3C | Authors: | Johansson, P, Jansson, A. | Deposit date: | 2016-06-19 | Release date: | 2017-08-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The interleukin-like epithelial-mesenchymal transition inducer ILEI exhibits a non-interleukin-like fold and is active as a domain-swapped dimer. J. Biol. Chem., 292, 2017
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6U5D
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![BU of 6u5d by Molmil](/molmil-images/mine/6u5d) | RT XFEL structure of CypA solved using LCP injection system | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Wolff, A.M, Young, I.D, Sierra, R.G, Brewster, A.S, Koralek, J.D, Boutet, S, Sauter, N.K, Fraser, J.S, Thompson, M.C. | Deposit date: | 2019-08-27 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals Iucrj, 7, 2020
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5LOK
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![BU of 5lok by Molmil](/molmil-images/mine/5lok) | X-ray structure of uridine phosphorylase from Vibrio cholerae in complex with cytidine and cytosine at 1.11 A resolution | Descriptor: | 1,2-ETHANEDIOL, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, 6-AMINOPYRIMIDIN-2(1H)-ONE, ... | Authors: | Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Dontsova, M.V, Betzel, C, Mikhailov, A.M. | Deposit date: | 2016-08-09 | Release date: | 2017-08-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.109 Å) | Cite: | X-ray structure of uridine phosphorylase from Vibrio cholerae in complex with cytidine and cytosine at 1.11 A resolution To Be Published
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8OVU
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![BU of 8ovu by Molmil](/molmil-images/mine/8ovu) | Human titin immunoglobulin-like 21 domain | Descriptor: | MAGNESIUM ION, Titin | Authors: | Martinez-Martin, I, Crousilles, A, Mortensen, S.A, Alegre-Cebollada, J, Wilmanns, M. | Deposit date: | 2023-04-26 | Release date: | 2023-11-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Titin domains with reduced core hydrophobicity cause dilated cardiomyopathy. Cell Rep, 42, 2023
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8F0Q
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![BU of 8f0q by Molmil](/molmil-images/mine/8f0q) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the acylsulfonamide inhibitor GDC-0310 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-4-({1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-N-(methanesulfonyl)benzamide, ... | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | Deposit date: | 2022-11-03 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
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7SAL
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![BU of 7sal by Molmil](/molmil-images/mine/7sal) | |
7A5T
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![BU of 7a5t by Molmil](/molmil-images/mine/7a5t) | Crystal structure of A55E mutant of BlaC from Mycobacterium tuberculosis | Descriptor: | Beta-lactamase, GLYCEROL, PHOSPHATE ION | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | Deposit date: | 2020-08-21 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam. Biochemistry, 60, 2021
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8OMK
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![BU of 8omk by Molmil](/molmil-images/mine/8omk) | hKHK-C in complex with ADP & fructose 1-phosphate | Descriptor: | 1-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, Ketohexokinase, ... | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2023-03-31 | Release date: | 2024-01-10 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability. Bioorg.Med.Chem.Lett., 112, 2024
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6XI5
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6OD1
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![BU of 6od1 by Molmil](/molmil-images/mine/6od1) | IraD-bound to RssB D58P variant | Descriptor: | Anti-adapter protein IraD, Regulator of RpoS | Authors: | Deaconescu, A.M, Dorich, V. | Deposit date: | 2019-03-25 | Release date: | 2019-04-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for inhibition of a response regulator of sigmaSstability by a ClpXP antiadaptor. Genes Dev., 33, 2019
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7A71
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![BU of 7a71 by Molmil](/molmil-images/mine/7a71) | Structure of G132S BlaC from Mycobacterium tuberculosis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, GLYCEROL, ... | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | Deposit date: | 2020-08-27 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam. Biochemistry, 60, 2021
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5LIA
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![BU of 5lia by Molmil](/molmil-images/mine/5lia) | Crystal structure of murine autotaxin in complex with a small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Turnbull, A.P, Shah, P, Cheasty, A, Raynham, T, Pang, L, Owen, P. | Deposit date: | 2016-07-14 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of potent inhibitors of the lysophospholipase autotaxin. Bioorg. Med. Chem. Lett., 26, 2016
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5M0Y
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![BU of 5m0y by Molmil](/molmil-images/mine/5m0y) | Crystal Structure of the CohScaA-XDocCipB type II complex from Clostridium thermocellum at 1.5Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cellulosome anchoring protein cohesin region, ... | Authors: | Pinheiro, B.A, Bras, J.L, Carvalho, A.L, Fontes, C.M.G.A. | Deposit date: | 2016-10-06 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Diverse specificity of cellulosome attachment to the bacterial cell surface. Sci Rep, 6, 2016
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8F0P
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![BU of 8f0p by Molmil](/molmil-images/mine/8f0p) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-1305 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | Deposit date: | 2022-11-03 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
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