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6IMP
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BU of 6imp by Molmil
Crystal structure of alpha-beta hydrolase (ABH) from Vibrio vulnificus
Descriptor: RTX toxin RtxA
Authors:Kim, M.H, Hwang, J.
Deposit date:2018-10-23
Release date:2019-08-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Makes caterpillars floppy-like effector-containing MARTX toxins require host ADP-ribosylation factor (ARF) proteins for systemic pathogenicity.
Proc.Natl.Acad.Sci.USA, 116, 2019
5JDS
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BU of 5jds by Molmil
Crystal structure of PD-L1 complexed with a nanobody at 1.7 Angstron resolution
Descriptor: CHLORIDE ION, Nanobody, Programmed cell death 1 ligand 1, ...
Authors:Zhou, A, Wei, H.
Deposit date:2016-04-17
Release date:2017-04-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of a novel PD-L1 nanobody for immune checkpoint blockade.
Cell Discov, 3, 2017
4MBT
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BU of 4mbt by Molmil
Structure of haze forming proteins in white wines: Vitis vinifera thaumatin-like proteins
Descriptor: GLYCEROL, VVTL1
Authors:Marangon, M, Menz, R.I, Waters, E.J, Van Sluyter, S.C.
Deposit date:2013-08-19
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of Haze Forming Proteins in White Wines: Vitis vinifera Thaumatin-Like Proteins.
Plos One, 9, 2014
6IBU
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BU of 6ibu by Molmil
Apo Crh5 transglycosylase
Descriptor: GLYCEROL, Probable glycosidase crf1
Authors:Bartual, S.G, Fang, W, van Aalten, D.M.F.
Deposit date:2018-11-30
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases.
Nat Commun, 10, 2019
5TC5
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BU of 5tc5 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with butylthio-DADMe-Immucillin-A and chloride
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, CHLORIDE ION, S-methyl-5'-thioadenosine phosphorylase
Authors:Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C.
Deposit date:2016-09-14
Release date:2017-10-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:TBA
To be published
4LT0
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BU of 4lt0 by Molmil
HEWL co-crystallized with Carboplatin in non-NaCl conditions: crystal 1 processed using the EVAL software package
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, Lysozyme C, ...
Authors:Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Schreurs, A.M.M, Helliwell, J.R.
Deposit date:2013-07-23
Release date:2014-07-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Carboplatin binding to histidine.
Acta Crystallogr.,Sect.F, 70, 2014
6INB
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BU of 6inb by Molmil
Crystal structure of an acetolactate decarboxylase from Klebsiella pneumoniae
Descriptor: Alpha-acetolactate decarboxylase, CHLORIDE ION, ZINC ION
Authors:Wu, W, Zhang, Q, Bartlam, M.
Deposit date:2018-10-24
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural characterization of an acetolactate decarboxylase from Klebsiella pneumoniae
Biochem. Biophys. Res. Commun., 509, 2019
5JF1
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BU of 5jf1 by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with actinonin
Descriptor: ACETATE ION, ACTINONIN, Peptide deformylase, ...
Authors:Fieulaine, S, Giglione, C, Meinnel, T.
Deposit date:2016-04-19
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
4LTH
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BU of 4lth by Molmil
Dehydration/Rehydration of a Nucleic Acid system containing a Polypyridyl Ruthenium Complex at 97% relative humidity (3/7)
Descriptor: BARIUM ION, DNA, Ru(tap)2(dppz) complex
Authors:Hall, J.P, Sanchez-Weatherby, J, Cardin, C.J.
Deposit date:2013-07-23
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Controlled Dehydration of a Ruthenium Complex-DNA Crystal Induces Reversible DNA Kinking.
J.Am.Chem.Soc., 136, 2014
5TCG
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BU of 5tcg by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate-bound form
Descriptor: 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CESIUM ION, FORMIC ACID, ...
Authors:Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-09-15
Release date:2017-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
5JFB
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BU of 5jfb by Molmil
Crystal structure of the scavenger receptor cysteine-rich domain 5 (SRCR5) from porcine CD163
Descriptor: Scavenger receptor cysteine-rich type 1 protein M130
Authors:Ma, H, Jiang, L, Qiao, S, Zhang, G, Li, R.
Deposit date:2016-04-19
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of the Fifth Scavenger Receptor Cysteine-Rich Domain of Porcine CD163 Reveals an Important Residue Involved in Porcine Reproductive and Respiratory Syndrome Virus Infection
J. Virol., 91, 2017
4MCW
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BU of 4mcw by Molmil
Crystal structure of a HD-GYP domain (a cyclic-di-GMP phosphodiesterase) containing a tri-nuclear metal centre
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, IMIDAZOLE, ...
Authors:Bellini, D, Walsh, M.A, Oxford Protein Production Facility (OPPF)
Deposit date:2013-08-21
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of an HD-GYP domain cyclic-di-GMP phosphodiesterase reveals an enzyme with a novel trinuclear catalytic iron centre.
Mol.Microbiol., 91, 2014
5T7T
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BU of 5t7t by Molmil
Galectin-8 N terminal domain in complex with LNT
Descriptor: CHLORIDE ION, Galectin-8, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Bohari, M.H, Yu, X, Blanchard, H.
Deposit date:2016-09-05
Release date:2017-01-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016
5T87
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BU of 5t87 by Molmil
Crystal structure of CDI complex from Cupriavidus taiwanensis LMG 19424
Descriptor: CdiA toxin, CdiI immunity protein
Authors:Michalska, K, Joachimiak, G, Jedrzejczak, R, Hayes, C.S, Goulding, C.W, Joachimiak, A, Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI), Midwest Center for Structural Genomics (MCSG)
Deposit date:2016-09-06
Release date:2017-09-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Target highlights from the first post-PSI CASP experiment (CASP12, May-August 2016).
Proteins, 86 Suppl 1, 2018
4MD7
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BU of 4md7 by Molmil
Crystal Structure of full-length symmetric CK2 holoenzyme
Descriptor: Casein kinase II subunit alpha, Casein kinase II subunit beta, ZINC ION
Authors:Lolli, G, Ranchio, A, Battistutta, R.
Deposit date:2013-08-22
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Active Form of the Protein Kinase CK2 alpha 2 beta 2 Holoenzyme Is a Strong Complex with Symmetric Architecture.
Acs Chem.Biol., 9, 2014
5LZL
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BU of 5lzl by Molmil
Pyrobaculum calidifontis 5-aminolaevulinic acid dehydratase
Descriptor: Delta-aminolevulinic acid dehydratase, ZINC ION
Authors:Azim, N, Erskine, P.T, Guo, J, Cooper, J.B.
Deposit date:2016-09-30
Release date:2016-10-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis.
Acta Crystallogr D Struct Biol, 73, 2017
4MI7
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BU of 4mi7 by Molmil
Crystal Structure of Salmonella Effector Protein GtgE
Descriptor: Bacteriophage encoded virulence factor, SULFATE ION
Authors:Kohler, A.C, Stebbins, C.E.
Deposit date:2013-08-30
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and enzymatic characterization of a host-specificity determinant from Salmonella.
Acta Crystallogr.,Sect.D, 70, 2014
2YCC
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BU of 2ycc by Molmil
OXIDATION STATE-DEPENDENT CONFORMATIONAL CHANGES IN CYTOCHROME C
Descriptor: CYTOCHROME C, HEME C, SULFATE ION
Authors:Berghuis, A.M, Brayer, G.D.
Deposit date:1991-01-29
Release date:1992-07-15
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Oxidation state-dependent conformational changes in cytochrome c.
J.Mol.Biol., 223, 1992
6IFH
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BU of 6ifh by Molmil
Unphosphorylated Spo0F from Paenisporosarcina sp. TG-14
Descriptor: MAGNESIUM ION, Sporulation initiation phosphotransferase F
Authors:Lee, J.H, Lee, C.W.
Deposit date:2018-09-20
Release date:2019-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of unphosphorylated Spo0F from Paenisporosarcina sp. TG-14, a psychrophilic bacterium isolated from an Antarctic glacier
Biodesign, 6(4), 2019
4MER
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BU of 4mer by Molmil
Crystal structure of the novel protein and virulence factor sHIP (Q99XU0) from Streptococcus pyogenes
Descriptor: streptococcal Histidine-rich glycoprotein Interacting Protein
Authors:Wisniewska, M, Happonen, L, Frick, M.-I, Bjorck, L, Streicher, W, Malmstrom, J, Wikstrom, M.
Deposit date:2013-08-27
Release date:2014-05-21
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Functional and Structural Properties of a Novel Protein and Virulence Factor (Protein sHIP) in Streptococcus pyogenes.
J.Biol.Chem., 289, 2014
5JJZ
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BU of 5jjz by Molmil
Chromo domain of human Chromodomain Protein, Y-Like 2
Descriptor: Chromodomain Y-like protein 2, LYS-LYS-LYS-ALA-ARG-MLY-SER-ALA-GLY-ALA-ALA-LYS-TYR
Authors:DONG, A, DOMBROVSKI, L, LOPPNAU, P, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, MIN, J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2016-04-25
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of CDYL2 domain of human CDYL2 protein
to be published
4MF5
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BU of 4mf5 by Molmil
Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with traces of one GSH bound
Descriptor: FORMIC ACID, GLUTATHIONE, Glutathione S-transferase domain
Authors:Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-08-27
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with traces of one GSH bound
To be Published
6IFX
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BU of 6ifx by Molmil
Crystal structure of chimeric KsgA with loop 12 from Erm
Descriptor: Ribosomal RNA small subunit methyltransferase A
Authors:Bhujbalrao, R, Anand, R.
Deposit date:2018-09-21
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Deciphering Determinants in Ribosomal Methyltransferases That Confer Antimicrobial Resistance.
J. Am. Chem. Soc., 141, 2019
4MFE
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BU of 4mfe by Molmil
Structure of the carboxyl transferase domain from Rhizobium etli pyruvate carboxylase with 3-hydroxypyruvate
Descriptor: 3-HYDROXYPYRUVIC ACID, BIOTIN, CHLORIDE ION, ...
Authors:Lietzan, A.D, St.Maurice, M.
Deposit date:2013-08-27
Release date:2013-11-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Insights into the carboxyltransferase reaction of pyruvate carboxylase from the structures of bound product and intermediate analogs.
Biochem.Biophys.Res.Commun., 441, 2013
4LXI
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BU of 4lxi by Molmil
Crystal Structure of the S105A mutant of a carbon-carbon bond hydrolase, DxnB2 from Sphingomonas wittichii RW1, in complex with 5,8-diF HOPDA
Descriptor: (3E,5R)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid, MCP Hydrolase, SODIUM ION
Authors:Bhowmik, S, Bolin, J.T.
Deposit date:2013-07-29
Release date:2013-10-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A substrate-assisted mechanism of nucleophile activation in a ser-his-asp containing C-C bond hydrolase.
Biochemistry, 52, 2013

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