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5OGE
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BU of 5oge by Molmil
Crystal structure of a nucleotide sugar transporter
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, GDP-mannose transporter 1
Authors:Newstead, S, Parker, J.L.
Deposit date:2017-07-12
Release date:2017-11-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structural basis of nucleotide sugar transport across the Golgi membrane.
Nature, 551, 2017
5OHV
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BU of 5ohv by Molmil
K33-specific affimer bound to K33 diUb
Descriptor: GLYCEROL, K33-specific affimer, SULFATE ION, ...
Authors:Michel, M.A, Komander, D.
Deposit date:2017-07-18
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Ubiquitin Linkage-Specific Affimers Reveal Insights into K6-Linked Ubiquitin Signaling.
Mol. Cell, 68, 2017
5OB1
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BU of 5ob1 by Molmil
Crystal structure of the c-Src-SH3 domain Q128R mutant in complex with the high affinity peptide APP12
Descriptor: APP12, Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A.
Deposit date:2017-06-25
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.172 Å)
Cite:Crystal structure of the c-Src-SH3 domain Q128R mutant in complex with the high affinity peptide APP12
to be published
5OKC
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BU of 5okc by Molmil
Crystal structure of the Ctf18-1-8 module from Ctf18-RFC
Descriptor: 1,2-ETHANEDIOL, Chromosome transmission fidelity protein 18, Chromosome transmission fidelity protein 8, ...
Authors:Grabarczyk, D.B, Kisker, C.
Deposit date:2017-07-25
Release date:2017-12-20
Last modified:2018-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Recruitment of Ctf18-RFC to the Replisome.
Structure, 26, 2018
5OKN
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BU of 5okn by Molmil
Crystal structure of human SHIP2 Phosphatase-C2 D607A mutant
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
Authors:Le Coq, J, Lietha, D.
Deposit date:2017-07-25
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for interdomain communication in SHIP2 providing high phosphatase activity.
Elife, 6, 2017
5OLU
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BU of 5olu by Molmil
The crystal structure of a highly thermostable carboxyl esterase from Bacillus coagulans in complex with glycerol
Descriptor: ACETATE ION, Alpha/beta hydrolase family protein, CHLORIDE ION, ...
Authors:Gourlay, L.J, Nakhnoukh, C, Bolognesi, M.
Deposit date:2017-07-28
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A stereospecific carboxyl esterase from Bacillus coagulans hosting nonlipase activity within a lipase-like fold.
FEBS J., 285, 2018
5O0C
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BU of 5o0c by Molmil
Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-(3-methyl-1H-indol-1-yl)propanoic acid (Fragment 3)
Descriptor: 3-(3-methylindol-1-yl)propanoic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
Deposit date:2017-05-16
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.642 Å)
Cite:Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
5OCM
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BU of 5ocm by Molmil
Imine Reductase from Streptosporangium roseum in complex with NADP+ and 2,2,2-trifluoroacetophenone hydrate
Descriptor: 2,2,2-trifluoromethyl acetophenone hydrate, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sharma, M, Nestl, B, Grogan, G.
Deposit date:2017-07-03
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:New imine-reducing enzymes from beta-hydroxyacid dehydrogenases by single amino acid substitutions.
Protein Eng. Des. Sel., 31, 2018
5O9F
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BU of 5o9f by Molmil
Crystal structure of R. ruber ADH-A, mutant Y294F, W295A, Y54F, F43S, H39Y
Descriptor: (2~{S})-2-methylpentanedioic acid, Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M.
Deposit date:2017-06-19
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Relaxation of nonproductive binding and increased rate of coenzyme release in an alcohol dehydrogenase increases turnover with a nonpreferred alcohol enantiomer.
FEBS J., 284, 2017
5OE0
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BU of 5oe0 by Molmil
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-181
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S, Thomassen, A.M.
Deposit date:2017-07-07
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.0500083 Å)
Cite:Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5OE6
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BU of 5oe6 by Molmil
Crystal structure of the N-terminal domain of PqsA in complex with 6-fluoroanthraniloyl-AMP (crystal form 1)
Descriptor: 6-fluoroanthraniloyl-AMP, Anthranilate--CoA ligase, TRIETHYLENE GLYCOL
Authors:Witzgall, F, Ewert, W, Blankenfeldt, W.
Deposit date:2017-07-07
Release date:2017-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis.
Chembiochem, 18, 2017
5OKO
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BU of 5oko by Molmil
Crystal structure of human SHIP2 Phosphatase-C2 double mutant F593D/L597D
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
Authors:Le Coq, J, Lietha, D.
Deposit date:2017-07-25
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for interdomain communication in SHIP2 providing high phosphatase activity.
Elife, 6, 2017
5OHN
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BU of 5ohn by Molmil
Crystal structure of USP30 in covalent complex with ubiquitin propargylamide (low resolution)
Descriptor: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 30,Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION
Authors:Gersch, M, Komander, D.
Deposit date:2017-07-17
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Mechanism and regulation of the Lys6-selective deubiquitinase USP30.
Nat. Struct. Mol. Biol., 24, 2017
5OHY
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BU of 5ohy by Molmil
A GH31 family sulfoquinovosidase in complex with aza-sugar inhibitor IFGSQ
Descriptor: 1,2-ETHANEDIOL, Alpha-glucosidase yihQ, PHOSPHATE ION, ...
Authors:Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J.
Deposit date:2017-07-18
Release date:2018-08-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases.
ACS Cent Sci, 4, 2018
5OLV
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BU of 5olv by Molmil
Structure of the A2A-StaR2-bRIL562-LUAA47070 complex at 2.0A obtained from in meso soaking experiments.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ...
Authors:Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S.
Deposit date:2017-07-28
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.
Sci Rep, 8, 2018
5OBA
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BU of 5oba by Molmil
Structure of a modified mouse H-chain ferritin with a lanthanide binding motif
Descriptor: FE (III) ION, Ferritin heavy chain
Authors:Baiocco, P, Trabuco, M.C.
Deposit date:2017-06-26
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Engineered ferritin for lanthanide binding.
PLoS ONE, 13, 2018
5OKQ
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BU of 5okq by Molmil
Non-conservatively refined structure of Gan1D-WT, a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in complex with 6-phospho-beta-galactose
Descriptor: 6-O-phosphono-beta-D-galactopyranose, GLYCEROL, IMIDAZOLE, ...
Authors:Lansky, S, Zehavi, A, Shoham, Y, Shoham, G.
Deposit date:2017-07-25
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
5OCX
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BU of 5ocx by Molmil
Crystal structure of ACPA E4 in complex with CII-C-13-CIT
Descriptor: 1,2-ETHANEDIOL, CII-C-13-CIT, Fab fragment anti-citrullinated protein antibody E4 - light chain, ...
Authors:Dobritzsch, D, Ge, C, Holmdahl, R.
Deposit date:2017-07-04
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis of Cross-Reactivity of Anti-Citrullinated Protein Antibodies.
Arthritis Rheumatol, 71, 2019
5OD3
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BU of 5od3 by Molmil
Crystal structure of R. ruber ADH-A, mutant Y54G, L119Y
Descriptor: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M.
Deposit date:2017-07-04
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Stereo- and Regioselectivity in Catalyzed Transformation of a 1,2-Disubstituted Vicinal Diol and the Corresponding Diketone by Wild Type and Laboratory Evolved Alcohol Dehydrogenases
Acs Catalysis, 8, 2018
5ODZ
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BU of 5odz by Molmil
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-163
Descriptor: Beta-lactamase, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S.
Deposit date:2017-07-07
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5OE4
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BU of 5oe4 by Molmil
Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 2)
Descriptor: 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate--CoA ligase
Authors:Witzgall, F, Ewert, W, Blankenfeldt, W.
Deposit date:2017-07-07
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis.
Chembiochem, 18, 2017
5OE8
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BU of 5oe8 by Molmil
Structure of large terminase from the thermophilic bacteriophage D6E (Crystal form 2)
Descriptor: CHLORIDE ION, Large subunit terminase
Authors:Xu, R.G, Jenkins, H.T, Greive, S.J, Antson, A.A.
Deposit date:2017-07-07
Release date:2017-10-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the large terminase from a hyperthermophilic virus reveals a unique mechanism for oligomerization and ATP hydrolysis.
Nucleic Acids Res., 45, 2017
5OFH
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BU of 5ofh by Molmil
Cu nitrite reductase serial data at varying temperatures RT 0.15MGy
Descriptor: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:2017-07-11
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
5OF8
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BU of 5of8 by Molmil
Cu nitrite reductase serial data at varying temperatures 190K 0.48MGy
Descriptor: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:2017-07-10
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
5OFQ
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BU of 5ofq by Molmil
Crystal structure of substrate-free CYP109A2 from Bacillus megaterium
Descriptor: Cytochrome P450, PENTAETHYLENE GLYCOL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Jozwik, I.K, Thunnissen, A.M.W.H.
Deposit date:2017-07-11
Release date:2017-09-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Biochemical and structural characterization of CYP109A2, a vitamin D3 25-hydroxylase from Bacillus megaterium.
FEBS J., 284, 2017

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