2PI8
 
 | | Crystal structure of E. coli MltA with bound chitohexaose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Membrane-bound lytic murein transglycosylase A, PHOSPHATE ION | | Authors: | van Straaten, K.E, Barends, T.R.M, Dijkstra, B.W, Thunnissen, A.M.W.H. | | Deposit date: | 2007-04-13 | | Release date: | 2007-05-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of Escherichia coli Lytic transglycosylase MltA with bound chitohexaose: implications for peptidoglycan binding and cleavage
J.Biol.Chem., 282, 2007
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6IWB
 | | Crystal structure of a computationally designed protein (LD3) in complex with BCL-2 | | Descriptor: | Apolipoprotein E, Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, SULFATE ION | | Authors: | Kim, S, Kwak, M.J, Oh, B.-H, Correia, B.E, Gainza, P. | | Deposit date: | 2018-12-05 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A computationally designed chimeric antigen receptor provides a small-molecule safety switch for T-cell therapy.
Nat.Biotechnol., 38, 2020
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4QTU
 | | Structure of S. cerevisiae Bud23-Trm112 complex involved in formation of m7G1575 on 18S rRNA (SAM bound form) | | Descriptor: | 1,2-ETHANEDIOL, Multifunctional methyltransferase subunit TRM112, Putative methyltransferase BUD23, ... | | Authors: | Letoquart, J, Huvelle, E, Wacheul, L, Bourgeois, G, Zorbas, C, Graille, M, Heurgue-Hamard, V, Lafontaine, D.L.J. | | Deposit date: | 2014-07-09 | | Release date: | 2014-12-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.124 Å) | | Cite: | Structural and functional studies of Bud23-Trm112 reveal 18S rRNA N7-G1575 methylation occurs on late 40S precursor ribosomes.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6C4G
 | | Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-601) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Czabotar, P.E, Hodder, A.N, Nguyen, W, Sleebs, B.E, Boddey, J.A, Cowman, A.F. | | Deposit date: | 2018-01-11 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2position of PEXEL peptidomimetics.
Eur J Med Chem, 154, 2018
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5BWH
 | | Structure of H200C variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with HPCA at 1.46 Ang resolution | | Descriptor: | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kovaleva, E.G, Lipscomb, J.D. | | Deposit date: | 2015-06-08 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | A Long-Lived Fe(III)-(Hydroperoxo) Intermediate in the Active H200C Variant of Homoprotocatechuate 2,3-Dioxygenase: Characterization by Mossbauer, Electron Paramagnetic Resonance, and Density Functional Theory Methods.
Inorg.Chem., 54, 2015
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8TRN
 | | Actin 1 from T. gondii in filaments bound to MgADP and jasplakinolide | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, Jasplakinolide, ... | | Authors: | Hvorecny, K.L, Sladewski, T.E, Heaslip, A.T, Kollman, J.M. | | Deposit date: | 2023-08-09 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Toxoplasma gondii actin filaments are tuned for rapid disassembly and turnover.
Nat Commun, 15, 2024
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8TRM
 | | Actin 1 from T. gondii in filaments bound to MgADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, MAGNESIUM ION | | Authors: | Hvorecny, K.L, Sladewski, T.E, Heaslip, A.T, Kollman, J.M. | | Deposit date: | 2023-08-09 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Toxoplasma gondii actin filaments are tuned for rapid disassembly and turnover.
Nat Commun, 15, 2024
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4XIU
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4QTT
 | | Structure of S. cerevisiae Bud23-Trm112 complex involved in formation of m7G1575 on 18S rRNA (apo-form) | | Descriptor: | 1,2-ETHANEDIOL, DODECAETHYLENE GLYCOL, Multifunctional methyltransferase subunit TRM112, ... | | Authors: | Letoquart, J, Huvelle, E, Wacheul, L, Bourgeois, G, Zorbas, C, Graille, M, Heurgue-Hamard, V, Lafontaine, D.L.J. | | Deposit date: | 2014-07-09 | | Release date: | 2014-12-24 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and functional studies of Bud23-Trm112 reveal 18S rRNA N7-G1575 methylation occurs on late 40S precursor ribosomes.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1IDC
 | | ISOCITRATE DEHYDROGENASE FROM E.COLI (MUTANT K230M), STEADY-STATE INTERMEDIATE COMPLEX DETERMINED BY LAUE CRYSTALLOGRAPHY | | Descriptor: | 2-OXALOSUCCINIC ACID, ISOCITRATE DEHYDROGENASE, MAGNESIUM ION | | Authors: | Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L. | | Deposit date: | 1995-01-18 | | Release date: | 1996-03-08 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
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6PXQ
 | | Crystal structure of human thrombin mutant D194A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain | | Authors: | Stojanovski, B, Chen, Z, Koester, S.K, Pelc, L.A, Di Cera, E. | | Deposit date: | 2019-07-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Role of the I16-D194 ionic interaction in the trypsin fold.
Sci Rep, 9, 2019
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6D45
 | | L89S Mutant of FeBMb Sperm Whale Myoglobin | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bhagi-Damodaran, A, Mirts, E.N, Sandoval, B, Lu, Y. | | Deposit date: | 2018-04-17 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.779 Å) | | Cite: | Heme redox potentials hold the key to reactivity differences between nitric oxide reductase and heme-copper oxidase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5UI4
 | | Structure of NME1 covalently conjugated to imidazole fluorosulfate | | Descriptor: | 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate, Nucleoside diphosphate kinase A | | Authors: | Mortenson, D.E, Brighty, G.J, Wilson, I.A, Kelly, J.W. | | Deposit date: | 2017-01-12 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates.
J. Am. Chem. Soc., 140, 2018
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6Q9K
 | | Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M bound to NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | | Deposit date: | 2018-12-18 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
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8ABX
 | | Crystal structure of IDO1 in complex with Apoxidole-1 | | Descriptor: | Indoleamine 2,3-dioxygenase 1, O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate, O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate, ... | | Authors: | Dotsch, L, Ziegler, S, Waldmann, H, Gasper, R. | | Deposit date: | 2022-07-05 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Identification of a Novel Pseudo-Natural Product Type IV IDO1 Inhibitor Chemotype.
Angew.Chem.Int.Ed.Engl., 61, 2022
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8IXV
 | | Crystal structure of intracellular B30.2 domain of BTN3A in complex with 2Cl-HMBPP | | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | | Deposit date: | 2023-04-03 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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4RPJ
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7QUC
 | | D. melanogaster alpha/beta tubulin heterodimer in the GDP form | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Wagstaff, J, Planelles-Herrero, V.J, Derivery, E, Lowe, J. | | Deposit date: | 2022-01-17 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics.
Sci Adv, 9, 2023
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7QUD
 | | D. melanogaster alpha/beta tubulin heterodimer in the GTP form | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Tubulin alpha-1 chain, ... | | Authors: | Wagstaff, J, Planelles-Herrero, V.J, Derivery, E, Lowe, J. | | Deposit date: | 2022-01-17 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics.
Sci Adv, 9, 2023
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5CQJ
 | | Crystal structure of E. coli undecaprenyl pyrophosphate synthase in complex with clomiphene | | Descriptor: | Clomifene, Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | | Authors: | Worrall, L.J, Conrady, D.G, Strynadka, N.C. | | Deposit date: | 2015-07-21 | | Release date: | 2015-08-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Antagonism screen for inhibitors of bacterial cell wall biogenesis uncovers an inhibitor of undecaprenyl diphosphate synthase.
Proc.Natl.Acad.Sci.USA, 112, 2015
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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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7QUP
 | | D. melanogaster 13-protofilament microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Wagstaff, J, Planelles-Herrero, V.J, Derivery, E, Lowe, J. | | Deposit date: | 2022-01-18 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics.
Sci Adv, 9, 2023
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5O4W
 | | Protein structure determination by electron diffraction using a single three-dimensional nanocrystal | | Descriptor: | Lysozyme C | | Authors: | Clabbers, M.T.B, van Genderen, E, Wan, W, Wiegers, E.L, Gruene, T, Abrahams, J.P. | | Deposit date: | 2017-05-31 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-17 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.11 Å) | | Cite: | Protein structure determination by electron diffraction using a single three-dimensional nanocrystal.
Acta Crystallogr D Struct Biol, 73, 2017
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3LPE
 | | Crystal structure of Spt4/5NGN heterodimer complex from Methanococcus jannaschii | | Descriptor: | DNA-directed RNA polymerase subunit E'', Putative transcription antitermination protein nusG, ZINC ION | | Authors: | Hirtreiter, A, Damsma, G.E, Cheung, A.C.M, Klose, D, Grohmann, D, Vojnic, E, Martin, A.C.R, Cramer, P, Werner, F. | | Deposit date: | 2010-02-05 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Spt4/5 stimulates transcription elongation through the RNA polymerase clamp coiled-coil motif.
Nucleic Acids Res., 38, 2010
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4RPH
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