8AKO
 
 | | Structure of EspB-EspK complex: the non-identical twin of the PE-PPE-EspG secretion mechanism. | | Descriptor: | ESX-1 secretion-associated protein EspB, ESX-1 secretion-associated protein EspK | | Authors: | Gijsbers, A, Eymery, M, Menart, I, Vinciauskaite, V, Gao, Y, Siliqi, D, Peters, P, Mccarthy, A, Ravelli, R.B.G. | | Deposit date: | 2022-07-30 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.293 Å) | | Cite: | The crystal structure of the EspB-EspK virulence factor-chaperone complex suggests an additional type VII secretion mechanism in Mycobacterium tuberculosis.
J.Biol.Chem., 299, 2022
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8AV6
 | | CryoEM structure of INO80 core nucleosome complex in closed grappler conformation | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DASH complex subunit DAD4, ... | | Authors: | Kunert, F, Metzner, F.J, Eustermann, S, Jung, J, Woike, S, Schall, K, Kostrewa, D, Hopfner, K.P. | | Deposit date: | 2022-08-26 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.68 Å) | | Cite: | Structural mechanism of extranucleosomal DNA readout by the INO80 complex.
Sci Adv, 8, 2022
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6T1H
 | | OXA-51-like beta-lactamase OXA-66 | | Descriptor: | Beta-lactamase OXA-66, ZINC ION | | Authors: | Takebayashi, Y, Chirgadze, D, Henderson, S, Warburton, P.J, Evans, B.E. | | Deposit date: | 2019-10-04 | | Release date: | 2020-10-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the OXA-51-like beta-lactamase OXA-66
To Be Published
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3WOF
 | | Crystal structure of P23-45 gp39 (6-132) bound to Thermus thermophilus RNA polymerase beta-flap domain | | Descriptor: | DNA-directed RNA polymerase subunit beta, Putative uncharacterized protein | | Authors: | Tagami, S, Sekine, S, Minakhin, L, Esyunina, D, Akasaka, R, Shirouzu, M, Kulbachinskiy, A, Severinov, K, Yokoyama, S. | | Deposit date: | 2013-12-26 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.298 Å) | | Cite: | Structural basis for promoter specificity switching of RNA polymerase by a phage factor.
Genes Dev., 28, 2014
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8ATF
 | | Nucleosome-bound Ino80 ATPase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (226-MER), DNA (227-MER), ... | | Authors: | Kunert, F, Metzner, F.J, Eustermann, S, Jung, J, Woike, S, Schall, K, Kostrewa, D, Hopfner, K.P. | | Deposit date: | 2022-08-23 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structural mechanism of extranucleosomal DNA readout by the INO80 complex.
Sci Adv, 8, 2022
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3DRH
 | | Crystal structure of Lactococcal OppA co-crystallized with Leu-enkephalin in an open conformation | | Descriptor: | Oligopeptide-binding protein oppA, peptide AAAAAA | | Authors: | Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J. | | Deposit date: | 2008-07-11 | | Release date: | 2009-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
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3IU2
 | | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90096 | | Descriptor: | (2R)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-pyridin-3-yl-1,3-thiazolidin-4-one, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-08-29 | | Release date: | 2009-09-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90096
To be Published
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2MWB
 | | FBP28 WW2 mutant W457F | | Descriptor: | Transcription elongation regulator 1 | | Authors: | Macias, M.J, Scheraga, H, Sunol, D, Todorovski, T. | | Deposit date: | 2014-11-03 | | Release date: | 2014-12-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.
Proc.Natl.Acad.Sci.USA, 111, 2014
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8B0T
 | | SARS-CoV-2 Main Protease adduct with Au(PEt3)Br | | Descriptor: | 3C-like proteinase nsp5, GOLD ION | | Authors: | Massai, L, Grifagni, D, De Santis, A, Geri, A, Calderone, V, Cantini, F, Banci, L, Messori, L. | | Deposit date: | 2022-09-08 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs.
Biomolecules, 12, 2022
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3FNV
 | | Crystal Structure of Miner1: The Redox-active 2Fe-2S Protein Causative in Wolfram Syndrome 2 | | Descriptor: | CDGSH iron sulfur domain-containing protein 2, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Conlan, A.R, Axelrod, H.L, Cohen, A.E, Abresch, E.C, Yee, D, Zuris, J, Nechushtai, R, Jennings, P.A, Paddock, M.L. | | Deposit date: | 2008-12-26 | | Release date: | 2009-08-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of Miner1: The redox-active 2Fe-2S protein causative in Wolfram Syndrome 2.
J.Mol.Biol., 392, 2009
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3IW0
 | | Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125, C2221 crystal form | | Descriptor: | Cytochrome P450 CYP125, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | McLean, K.J, Levy, C, Munro, A.W, Leys, D. | | Deposit date: | 2009-09-02 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
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1FL5
 | | THE UNLIGANDED GERMLINE PRECURSOR TO THE SULFIDE OXIDASE CATALYTIC ANTIBODY 28B4. | | Descriptor: | ANTIBODY GERMLINE PRECURSOR TO ANTIBODY 28B4, SULFATE ION | | Authors: | Yin, J, Mundorff, E.C, Yang, P.L, Wendt, K.U, Hanway, D, Stevens, R.C, Schultz, P.G. | | Deposit date: | 2000-08-11 | | Release date: | 2001-11-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A comparative analysis of the immunological evolution of antibody 28B4.
Biochemistry, 40, 2001
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3IWJ
 | | Crystal structure of aminoaldehyde dehydrogenase 2 from Pisum sativum (PsAMADH2) | | Descriptor: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative aminoaldehyde dehydrogenase, ... | | Authors: | Kopecny, D, Morera, S, Briozzo, P. | | Deposit date: | 2009-09-02 | | Release date: | 2010-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and functional characterization of plant aminoaldehyde dehydrogenase from Pisum sativum with a broad specificity for natural and synthetic aminoaldehydes.
J.Mol.Biol., 396, 2010
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2N30
 | | Structure of Ace-pvhct-NH2 | | Descriptor: | Hemocyanin subunit L2 | | Authors: | Petit, V.W, Rolland, J, Blond, A, Djediat, C, Peduzzi, J, Goulard, C, Bachere, E, Dupont, J, Destoumieux-Garzon, D, Rebuffat, S. | | Deposit date: | 2015-05-19 | | Release date: | 2015-06-17 | | Last modified: | 2016-01-27 | | Method: | SOLUTION NMR | | Cite: | A hemocyanin-derived antimicrobial peptide from the penaeid shrimp adopts an alpha-helical structure that specifically permeabilizes fungal membranes.
Biochim.Biophys.Acta, 1860, 2015
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3J5M
 | | Cryo-EM structure of the BG505 SOSIP.664 HIV-1 Env trimer with 3 PGV04 Fabs | | Descriptor: | BG505 SOSIP gp120, BG505 SOSIP gp41, PGV04 heavy chain, ... | | Authors: | Lyumkis, D, Julien, J.-P, Wilson, I.A, Ward, A.B. | | Deposit date: | 2013-10-26 | | Release date: | 2013-11-13 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (5.8 Å) | | Cite: | Cryo-EM structure of a fully glycosylated soluble cleaved HIV-1 envelope trimer.
Science, 342, 2013
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8B0S
 | | SARS-COV-2 Main Protease adduct with Au(NHC)Cl | | Descriptor: | 3C-like proteinase nsp5, GOLD ION | | Authors: | Massai, L, Grifagni, D, Desantis, A, Geri, A, Calderone, V, Cantini, F, Messori, L, Banci, L. | | Deposit date: | 2022-09-08 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs.
Biomolecules, 12, 2022
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3J1X
 | | A refined model of the prototypical Salmonella typhimurium T3SS basal body reveals the molecular basis for its assembly | | Descriptor: | Protein PrgH | | Authors: | Sgourakis, N.G, Bergeron, J.R.C, Worrall, L.J, Strynadka, N.C.J, Baker, D. | | Deposit date: | 2012-07-10 | | Release date: | 2013-05-22 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (11.7 Å) | | Cite: | A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Plos Pathog., 9, 2013
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3EWU
 | | D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-acetyl-UMP, covalent adduct | | Descriptor: | 6-ethyluridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ... | | Authors: | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | | Deposit date: | 2008-10-16 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
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3J6E
 | | Energy minimized average structure of Microtubules stabilized by GmpCpp | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | | Authors: | Alushin, G.M, Lander, G.C, Kellogg, E.H, Zhang, R, Baker, D, Nogales, E. | | Deposit date: | 2014-02-18 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | High-Resolution Microtubule Structures Reveal the Structural Transitions in alpha beta-Tubulin upon GTP Hydrolysis.
Cell(Cambridge,Mass.), 157, 2014
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1FL6
 | | THE HAPTEN COMPLEXED GERMLINE PRECURSOR TO SULFIDE OXIDASE CATALYTIC ANTIBODY 28B4 | | Descriptor: | 1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID, ANTIBODY GERMLINE PRECURSOR TO 28B4 | | Authors: | Yin, J, Mundorff, E.C, Yang, P.L, Wendt, K.U, Hanway, D, Stevens, R.C, Schultz, P.G. | | Deposit date: | 2000-08-11 | | Release date: | 2001-11-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A comparative analysis of the immunological evolution of antibody 28B4.
Biochemistry, 40, 2001
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3J5P
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2MWD
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3F3V
 | | Kinase domain of cSrc in complex with inhibitor RL45 (Type II) | | Descriptor: | 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Grutter, C, Kluter, S, Getlik, M, Rauh, D. | | Deposit date: | 2008-10-31 | | Release date: | 2009-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc
J.Med.Chem., 52, 2009
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3J89
 | | Structural Plasticity of Helical Nanotubes Based on Coiled-Coil Assemblies | | Descriptor: | synthetic peptide | | Authors: | Egelman, E.H, Xu, C, DiMaio, F, Magnotti, E, Modlin, C, Yu, X, Wright, E, Baker, D, Conticello, V.P. | | Deposit date: | 2014-10-07 | | Release date: | 2015-02-11 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural plasticity of helical nanotubes based on coiled-coil assemblies.
Structure, 23, 2015
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6T1M
 | | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 4 | | Descriptor: | 1,2-ETHANEDIOL, 4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide, Protein ENL | | Authors: | Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-10-04 | | Release date: | 2019-11-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Acs Med.Chem.Lett., 10, 2019
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