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4OWC
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BU of 4owc by Molmil
PtI6 binding to HEWL
Descriptor: CHLORIDE ION, IODIDE ION, Lysozyme C, ...
Authors:Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R.
Deposit date:2014-01-31
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI6 octahedral complex to a PtI3 moiety bound to His15.
Acta Crystallogr.,Sect.F, 70, 2014
4YRS
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BU of 4yrs by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(quinolin-3-yl)propanamide (Chem 1698)
Descriptor: HISTIDINE, Histidyl-tRNA synthetase, N-(quinolin-3-yl)propanamide
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4OXP
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BU of 4oxp by Molmil
X-ray crystal structure of the S1 and 5'-sensor domains of RNase E from Caulobacter crescentus
Descriptor: Ribonuclease E
Authors:Voss, J.E, Luisi, B.F.L, Hardwick, S.W.
Deposit date:2014-02-06
Release date:2014-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular recognition of RhlB and RNase D in the Caulobacter crescentus RNA degradosome.
Nucleic Acids Res., 42, 2014
4OH1
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BU of 4oh1 by Molmil
Crystal structure of a putative zinc-binding dehydrogenase (gutB) from Clostridium scindens ATCC 35704 at 2.00 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, L-iditol 2-dehydrogenase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-01-16
Release date:2014-02-05
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a putative zinc-binding dehydrogenase (gutB) from Clostridium scindens ATCC 35704 at 2.00 A resolution
To be published
4OY5
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BU of 4oy5 by Molmil
0.89 Angstrom resolution crystal structure of (Gly-Pro-Hyp)10
Descriptor: Collagen
Authors:Suzuki, H, Mahapatra, D, Steel, P.J, Dyer, J, Dobson, R.C.J, Gerrard, J.A, Valery, C.
Deposit date:2014-02-10
Release date:2015-03-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Sub-angstrom structure of the collagen model peptide (GPO)10 shows a hydrated triple helix with pitch variation and two proline ring conformations
To Be Published
4YSM
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BU of 4ysm by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella
Descriptor: CALCIUM ION, Calmodulin-like domain protein kinase
Authors:Merritt, E.A.
Deposit date:2015-03-17
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
4OY8
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BU of 4oy8 by Molmil
Structure of ScLPMO10B in complex with zinc.
Descriptor: ACETATE ION, Putative secreted cellulose-binding protein, ZINC ION
Authors:Forsberg, Z, Mackenzie, A.K, Sorlie, M, Rohr, A.K, Helland, R, Arvai, A.S, Vaaje-Kolstad, G, Eijsink, V.G.H.
Deposit date:2014-02-11
Release date:2014-05-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and functional characterization of a conserved pair of bacterial cellulose-oxidizing lytic polysaccharide monooxygenases.
Proc.Natl.Acad.Sci.USA, 111, 2014
4OHP
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BU of 4ohp by Molmil
Human GKRP bound to AMG-3227 and S6P
Descriptor: 4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]-N-methylbenzenesulfonamide, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R, Chmait, S.
Deposit date:2014-01-17
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N'-arylpiperazine series.
J.Med.Chem., 57, 2014
4YJS
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BU of 4yjs by Molmil
THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000226
Descriptor: 3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]propan-1-ol, Tyrosine-protein kinase SYK
Authors:Somers, D.O.
Deposit date:2015-03-03
Release date:2015-09-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YTM
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BU of 4ytm by Molmil
Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with N-biphenyl-3-yl-2-(trifluoromethyl)benzamide
Descriptor: Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K.
Deposit date:2015-03-18
Release date:2015-08-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Int J Mol Sci, 16, 2015
4YKB
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BU of 4ykb by Molmil
Structure of GUN4 from Chlamydomonas reinhardtii
Descriptor: Tetrapyrrole-binding protein
Authors:Tabriz, S.T, Langley, D.B, Willows, R.D, Duff, A.P, Harrop, S.J.
Deposit date:2015-03-04
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of GUN4 from Chlamydomonas reinhardtii.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4OI4
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BU of 4oi4 by Molmil
Protein complex of Clp1 bound to ATP and Mg2+ with Pcf11deltaN454deltaC563 of S. cerevisiae
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Dikfidan, A, Loll, B, Zeymer, C, Clausen, T, Meinhart, A.
Deposit date:2014-01-18
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:RNA specificity and regulation of catalysis in the eukaryotic polynucleotide kinase clp1.
Mol.Cell, 54, 2014
4OZC
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BU of 4ozc by Molmil
Backbone Modifications in the Protein GB1 Helix and Loops: beta-ACPC21, beta-ACPC24, beta-3-Lys28, beta-3-Lys31, beta-ACPC35, beta-ACPC40
Descriptor: GLYCEROL, SULFATE ION, Streptococcal Protein GB1 Backbone Modified Variant: beta-ACPC21, ...
Authors:Reinert, Z.E, Horne, W.S.
Deposit date:2014-02-14
Release date:2014-07-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Folding Thermodynamics of Protein-Like Oligomers with Heterogeneous Backbones.
Chem Sci, 5, 2014
4OZJ
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BU of 4ozj by Molmil
GlnK2 from Haloferax mediterranei complexed with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Nitrogen regulatory protein P-II
Authors:Palanca, C, Pedro-Roig, L, Llacer, J.L, Camacho, M, Bonete, M.J, Rubio, V.
Deposit date:2014-02-17
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The structure of a PII signaling protein from a halophilic archaeon reveals novel traits and high-salt adaptations.
Febs J., 281, 2014
4OIZ
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BU of 4oiz by Molmil
Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis
Descriptor: LysM domain protein, methyl alpha-D-mannopyranoside
Authors:Patra, D, Mishra, P, Surolia, A, Vijayan, M.
Deposit date:2014-01-20
Release date:2014-07-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis.
Glycobiology, 24, 2014
4YL4
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BU of 4yl4 by Molmil
1.1 Angstrom resolution X-ray Crystallographic Structure of Psudoazurin
Descriptor: COPPER (II) ION, GLYCEROL, Pseudoazurin
Authors:Yamaguchi, T, Asamura, S, Takashina, A, Unno, M, Kohzuma, T.
Deposit date:2015-03-05
Release date:2016-03-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:X-ray crystallographic evidence for the simultaneous presence of axial and rhombic sites in cupredoxins: atomic resolution X-ray crystal structure analysis of pseudoazurin and DFT modelling
Rsc Adv, 6, 2016
4YV2
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BU of 4yv2 by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2-phenyl-1,2-thiazol-3(2H)-one
Descriptor: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, N-phenyl-3-sulfanylpropanamide, Spermidine synthase, ...
Authors:Amano, Y, Tateishi, Y.
Deposit date:2015-03-19
Release date:2015-09-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase
Acta Crystallogr.,Sect.D, 71, 2015
4P0D
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BU of 4p0d by Molmil
The T6 backbone pilin of serotype M6 Streptococcus pyogenes has a modular three-domain structure decorated with variable loops and extensions
Descriptor: CALCIUM ION, IODIDE ION, Trypsin-resistant surface T6 protein
Authors:Young, P.G, Moreland, N.J, Loh, J.M, Bell, A, Atatoa-Carr, P, Proft, T, Baker, E.N.
Deposit date:2014-02-20
Release date:2014-08-27
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Conservation, Variability, and Immunogenicity of the T6 Backbone Pilin of Serotype M6 Streptococcus pyogenes.
Infect.Immun., 82, 2014
4YW4
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BU of 4yw4 by Molmil
Streptococcus pneumoniae sialidase NanC
Descriptor: GLYCEROL, Neuraminidase C, PHOSPHATE ION
Authors:Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L.
Deposit date:2015-03-20
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a novel sialidase
To be published
4O6R
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BU of 4o6r by Molmil
Crystal Structure of a Putative Aldehyde Dehydrogenase from Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Aldehyde Dehydrogenase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-12-23
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of a Putative Aldehyde Dehydrogenase from Burkholderia cenocepacia
TO BE PUBLISHED
4YWO
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BU of 4ywo by Molmil
Mercuric reductase from Metallosphaera sedula
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Mercuric reductase
Authors:Artz, J.H, Zadvornyy, O.A, White, S, Peters, J.W.
Deposit date:2015-03-20
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Biochemical and Structural Properties of a Thermostable Mercuric Ion Reductase from Metallosphaera sedula.
Front Bioeng Biotechnol, 3, 2015
4YMY
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BU of 4ymy by Molmil
Crystal structure of mutant nitrobindin M75A/H76L/Q96C/M148L/H158A (NB11) from Arabidopsis thaliana
Descriptor: GLYCEROL, UPF0678 fatty acid-binding protein-like protein At1g79260
Authors:Mizohata, E, Himiyama, T, Tachikawa, K, Oohora, K, Onoda, A, Hayashi, T.
Deposit date:2015-03-08
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1 Å)
Cite:A Highly Active Biohybrid Catalyst for Olefin Metathesis in Water: Impact of a Hydrophobic Cavity in a beta-Barrel Protein
Acs Catalysis, 5, 2015
4YWQ
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BU of 4ywq by Molmil
Crystal structure of the ROQ domain of human Roquin-1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Dong, A, Zhang, Q, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2015-03-20
Release date:2015-04-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the ROQ domain of human Roquin-1
To be Published
4YX6
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BU of 4yx6 by Molmil
Architectural hierarchy of trans-acting enoyl reductases from polyunsaturated fatty acid and trans-AT polyketide synthases
Descriptor: CALCIUM ION, FLAVIN MONONUCLEOTIDE, Omega-3 polyunsaturated fatty acid synthase subunit PfaD
Authors:Till, M, Race, P.R.
Deposit date:2015-03-22
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Architectural hierarchy of trans-acting enoyl reductases from polyunsaturated fatty acid and trans-AT polyketide synthases
To Be Published
4OLS
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BU of 4ols by Molmil
The amidase-2 domain of LysGH15
Descriptor: Endolysin, FE (III) ION, MAGNESIUM ION, ...
Authors:Gu, J, Ouyang, S, Liu, Z.J, Han, W.
Deposit date:2014-01-24
Release date:2014-06-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014

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