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4X6E
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BU of 4x6e by Molmil
CD1a binary complex with lysophosphatidylcholine
Descriptor: (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Beta-2-microglobulin, D-MALATE, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-12-08
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
4WZ7
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BU of 4wz7 by Molmil
Crystal structure of mitochondrial NADH:ubiquinone oxidoreductase from Yarrowia lipolytica.
Descriptor: 39-kDa subunit, FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, ...
Authors:Wirth, C, Zickermann, V, Brandt, U, Hunte, C.
Deposit date:2014-11-18
Release date:2015-03-25
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural biology. Mechanistic insight from the crystal structure of mitochondrial complex I.
Science, 347, 2015
4X81
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BU of 4x81 by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with Mg, SAH and mycinamicin VI (MycE substrate)
Descriptor: DIMETHYL SULFOXIDE, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, ...
Authors:Bernard, S.M, Smith, J.L.
Deposit date:2014-12-09
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X8D
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BU of 4x8d by Molmil
Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N-dimethyl-histidine and gamma-glutamyl-cysteine
Descriptor: CALCIUM ION, CHLORIDE ION, GAMMA-GLUTAMYLCYSTEINE, ...
Authors:Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
5Z81
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BU of 5z81 by Molmil
Trimeric structure of Vibrio cholerae Heat Shock Protein 15 at 2.3 Angstrom resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Heat shock protein 15, SULFATE ION
Authors:Roy Chowdhury, S, Sen, U.
Deposit date:2018-01-30
Release date:2018-03-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.334 Å)
Cite:Trimeric structure of Vibrio cholerae Heat Shock Protein 15 at 2.3 Angstrom resolution
To Be Published
5YXW
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BU of 5yxw by Molmil
Crystal structure of the prefusion form of measles virus fusion protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, glycoprotein F1,measles virus fusion protein, ...
Authors:Hashiguchi, T, Fukuda, Y, Matsuoka, R, Kuroda, D, Kubota, M, Shirogane, Y, Watanabe, S, Tsumoto, K, Kohda, D, Plemper, R.K, Yanagi, Y.
Deposit date:2017-12-07
Release date:2018-02-21
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.776 Å)
Cite:Structures of the prefusion form of measles virus fusion protein in complex with inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YY3
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BU of 5yy3 by Molmil
Crystal structure of AsqI
Descriptor: Uncharacterized protein AsqI
Authors:Hara, K, Hashimoto, H, Kishimoto, S, Watanabe, K.
Deposit date:2017-12-07
Release date:2018-08-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:Enzymatic one-step ring contraction for quinolone biosynthesis.
Nat Commun, 9, 2018
4X4I
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BU of 4x4i by Molmil
RADIATION DAMAGE TO THE NUCLEOPROTEIN COMPLEX C.Esp1396I: DOSE (DWD) 44.6 MGy
Descriptor: 35-MER DNA, Regulatory protein
Authors:Bury, C.S, McGeehan, J.E, Garman, E.F.
Deposit date:2014-12-02
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Radiation damage to nucleoprotein complexes in macromolecular crystallography.
J.Synchrotron Radiat., 22, 2015
4X5U
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BU of 4x5u by Molmil
X-ray crystal structure of CagL at pH 4.2
Descriptor: Cag pathogenicity island protein (Cag18)
Authors:Sundberg, E.J, Bonsor, D.A, Diederichs, K.
Deposit date:2014-12-05
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Integrin Engagement by the Helical RGD Motif of the Helicobacter pylori CagL Protein Is Regulated by pH-induced Displacement of a Neighboring Helix.
J.Biol.Chem., 290, 2015
5ZCY
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BU of 5zcy by Molmil
Crystal structure of archaeal translation initiation factor 1 at 1.5 Angstroms resolution
Descriptor: NITRATE ION, NITRITE ION, Protein translation factor SUI1 homolog
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2018-02-22
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Archaeal and eukaryal translation initiation factor 1 differ in their RNA interacting loops.
FEBS Lett., 592, 2018
4ZH5
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BU of 4zh5 by Molmil
Crystal structure of Endoglucanase from Perinereis brevicirris with Cellobiose
Descriptor: CALCIUM ION, CHLORIDE ION, Endoglucanase, ...
Authors:Fewings, R.S, Swiderska, A, Sanchez-Weatherby, J, Sorensen, T.-M, Schnorr, K.M, Kneale, G.G, McGeehan, J.E.
Deposit date:2015-04-24
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Biophysical and structural characterisation of the endoglucanase from Perinereis brevicirris
To Be Published
4YXQ
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BU of 4yxq by Molmil
PksG, a HMG-CoA Synthase from Bacillus subtilis
Descriptor: DI(HYDROXYETHYL)ETHER, Polyketide biosynthesis 3-hydroxy-3-methylglutaryl-ACP synthase PksG
Authors:Nair, A.V, Race, P.R, Till, M.
Deposit date:2015-03-23
Release date:2016-06-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:PksG, a HMG-CoA Synthase from Bacillus subtilis
To Be Published
5Z6F
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BU of 5z6f by Molmil
High-pressure Crystal Structure Analysis of DHFR(0.1 MPa)
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Watanabe, N, Nagae, T, Yamada, H.
Deposit date:2018-01-22
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:High-pressure protein crystal structure analysis of Escherichia coli dihydrofolate reductase complexed with folate and NADP.
Acta Crystallogr D Struct Biol, 74, 2018
4ZDE
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BU of 4zde by Molmil
Crystal structure of yeast D3,D2-enoyl-CoA isomerase F268A mutant
Descriptor: 3,2-trans-enoyl-CoA isomerase, GLYCEROL, SULFATE ION
Authors:Onwukwe, G.U, Koski, M.K, Wierenga, R.K.
Deposit date:2015-04-17
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of yeast peroxisomal Delta (3), Delta (2)-enoyl-CoA isomerase complexed with acyl-CoA substrate analogues: the importance of hydrogen-bond networks for the reactivity of the catalytic base and the oxyanion hole.
Acta Crystallogr.,Sect.D, 71, 2015
5WBV
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BU of 5wbv by Molmil
Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor
Descriptor: 2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid, Histone-lysine N-methyltransferase KMT5B, S-ADENOSYLMETHIONINE, ...
Authors:Halabelian, L, Tempel, W, Brown, P.J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-06-29
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor
To be published
4ZET
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BU of 4zet by Molmil
Blood dendritic cell antigen 2 (BDCA-2) complexed with GalGlcNAcMan
Descriptor: C-type lectin domain family 4 member C, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose
Authors:Jegouzo, S.A.F, Feinberg, H, Dungarwalla, T, Drickamer, K, Weis, W.I, Taylor, M.E.
Deposit date:2015-04-20
Release date:2015-05-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Novel Mechanism for Binding of Galactose-terminated Glycans by the C-type Carbohydrate Recognition Domain in Blood Dendritic Cell Antigen 2.
J.Biol.Chem., 290, 2015
5WC9
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BU of 5wc9 by Molmil
Human Pit-1 and 4xCATT DNA complex
Descriptor: DNA (5'-D(*CP*CP*AP*TP*TP*CP*AP*TP*TP*CP*AP*TP*TP*CP*AP*TP*TP*CP*GP*GP*A)-3'), DNA (5'-D(*CP*CP*GP*AP*AP*TP*GP*AP*AP*TP*GP*AP*AP*TP*GP*AP*AP*TP*GP*GP*T)-3'), Pituitary-specific positive transcription factor 1
Authors:Agarwal, S, Cho, T.Y.
Deposit date:2017-06-29
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Biochemical and structural characterization of a novel cooperative binding mode by Pit-1 with CATT repeats in the macrophage migration inhibitory factor promoter.
Nucleic Acids Res., 46, 2018
5WCP
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BU of 5wcp by Molmil
Phosphotriesterase variant S7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-07-01
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Phosphotriesterase variant S7
To Be Published
5WDG
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BU of 5wdg by Molmil
Acetolactate Synthase from Klebsiella pneumoniae in Complex with a Reaction Intermediate
Descriptor: (2S,3S)-2,3-dihydroxy-3-[(7S,8R,9aS)-8-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9aH-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid, Acetolactate synthase, catabolic, ...
Authors:Latta, A.J, Andrews, F.H, McLeish, M.J.
Deposit date:2017-07-05
Release date:2018-07-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Acetolactate Synthase from Klebsiella pneumoniae in Complex with Mechanism-Based Inhibitor
To Be Published
5WEE
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BU of 5wee by Molmil
Crystal structure of HpVAL4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Asojo, O.A.
Deposit date:2017-07-09
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Heligmosomoides polygyrus Venom Allergen-like Protein-4 (HpVAL-4) is a sterol binding protein.
Int. J. Parasitol., 48, 2018
5WEP
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BU of 5wep by Molmil
Crystal structure of fosfomycin resistance protein FosA3 with inhibitor (ANY1) bound
Descriptor: 6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one), FosA3, ZINC ION
Authors:Klontz, E.H, Sundberg, E.J.
Deposit date:2017-07-10
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.502 Å)
Cite:Small-Molecule Inhibitor of FosA Expands Fosfomycin Activity to Multidrug-Resistant Gram-Negative Pathogens.
Antimicrob. Agents Chemother., 63, 2019
5WEG
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BU of 5weg by Molmil
Crystal Structure of UDP-glucose pyrophosphorylase from Sugarcane
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, UTP--glucose-1-phosphate uridylyltransferase
Authors:Cotrim, C.A, Soares, J.S.M, Kobe, B, Menossi, M.
Deposit date:2017-07-10
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and insights into the oligomeric state of UDP-glucose pyrophosphorylase from sugarcane.
PLoS ONE, 13, 2018
4ZG8
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BU of 4zg8 by Molmil
Crystal structure of Endoglucanase from Perinereis brevicirris
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Fewings, R.S, Swiderska, A, Sanchez-Weatherby, J, Sorensen, T.L.-M, Schnorr, K.M, Kneale, G.G, McGeehan, J.E.
Deposit date:2015-04-22
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Biophysical and structural characterisation of the endoglucanase from Perinereis brevicirris
To Be Published
5WGS
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BU of 5wgs by Molmil
Crystal Structure of MalA' H253F, premalbrancheamide complex
Descriptor: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
Authors:Fraley, A.E, Smith, J.L.
Deposit date:2017-07-14
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WGI
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BU of 5wgi by Molmil
Ultrahigh resolution crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with TSA
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2017-07-14
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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