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5LU6
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BU of 5lu6 by Molmil
Heptose isomerase mutant - H64Q
Descriptor: 1,2-ETHANEDIOL, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, GLYCEROL, ...
Authors:Vivoli, M, Harmer, N.J, Pang, J.
Deposit date:2016-09-08
Release date:2017-12-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
7A7U
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BU of 7a7u by Molmil
rsGreen1 in the green-on state
Descriptor: Green fluorescent protein
Authors:De Zitter, E, Dedecker, P, Van Meervelt, L.
Deposit date:2020-08-30
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
5EO7
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BU of 5eo7 by Molmil
Crystal structure of AOL
Descriptor: Predicted protein, SULFATE ION, methyl 1-seleno-alpha-L-fucopyranoside
Authors:Kato, R, Kiso, M, Ishida, H, Ando, H, Suzuki, T, Shimabukuro, S, Makyio, H.
Deposit date:2015-11-10
Release date:2016-06-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Six independent fucose-binding sites in the crystal structure of Aspergillus oryzae lectin
Biochem.Biophys.Res.Commun., 477, 2016
5ENM
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BU of 5enm by Molmil
Compound 10
Descriptor: (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Lewis, H.A.
Deposit date:2015-11-09
Release date:2016-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
5EO1
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BU of 5eo1 by Molmil
Crystal Structure of HLA-B0702-RL9
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Josephs, T.M, Gras, S, Rossjohn, J.
Deposit date:2015-11-10
Release date:2016-02-24
Last modified:2016-04-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:HIV-1-Specific CD8 T Cells Exhibit Limited Cross-Reactivity during Acute Infection.
J Immunol., 196, 2016
4XYN
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BU of 4xyn by Molmil
X-ray structure of Ca(2+)-S100B with human RAGE-derived W61 peptide
Descriptor: CALCIUM ION, Protein S100-B, Receptor for advanced glycation endproducts-derived peptide (W61)
Authors:Jensen, J.L, Indurthi, V.S.K, Neau, D, Vetter, S.W, Colbert, C.L.
Deposit date:2015-02-02
Release date:2015-05-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural insights into the binding of the human receptor for advanced glycation end products (RAGE) by S100B, as revealed by an S100B-RAGE-derived peptide complex.
Acta Crystallogr.,Sect.D, 71, 2015
6IBJ
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BU of 6ibj by Molmil
Copper binding protein from Laetisaria arvalis (LaX325)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity CAZyme, COPPER (II) ION
Authors:Frandsen, K.E.H, Tandrup, T, Labourel, A, Haon, M, Berrin, J.-G, Lo Leggio, L.
Deposit date:2018-11-30
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A fungal family of lytic polysaccharide monooxygenase-like copper proteins.
Nat.Chem.Biol., 16, 2020
5LJY
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BU of 5ljy by Molmil
Structure of hantavirus envelope glycoprotein Gc in complex with scFv A5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT HEXAMMINE(III), Envelopment polyprotein, ...
Authors:Guardado-Calvo, P, Stettner, E, Jeffers, S.A, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
5EQC
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BU of 5eqc by Molmil
Structure of the ornithine aminotransferase from Toxoplasma gondii crystallized in presence of oxidized glutathione reveals partial occupancy of PLP at the protein active site
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Filippova, E.V, Minasov, G, Flores, K, Le, H.V, Silverman, R.B, McLeod, R.L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-11-12
Release date:2016-02-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the ornithine aminotransferase from Toxoplasma gondii crystallized in presence of oxidized glutathione reveals partial occupancy of PLP at the protein active site
To Be Published
6IES
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BU of 6ies by Molmil
Onion lachrymatory factor synthase (LFS) containing (E)-2-propen 1-ol (crotyl alcohol)
Descriptor: (2E)-but-2-en-1-ol, Lachrymatory-factor synthase
Authors:Sato, Y, Arakawa, T, Takabe, J, Masamura, N, Tsuge, N, Imai, S, Fushinobu, S.
Deposit date:2018-09-17
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dissecting the Stereocontrolled Conversion of Short-Lived Sulfenic Acid by Lachrymatory Factor Synthase.
Acs Catalysis, 10, 2020
5LZR
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BU of 5lzr by Molmil
Crystal structure of Thermotoga maritima sodium pumping membrane integral pyrophosphatase in complex with tungstate and magnesium
Descriptor: K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION, TUNGSTATE(VI)ION
Authors:Wilkinson, C, Kellosalo, J, Kajander, T, Goldman, A.
Deposit date:2016-10-01
Release date:2016-12-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4 Å)
Cite:Membrane pyrophosphatases from Thermotoga maritima and Vigna radiata suggest a conserved coupling mechanism.
Nat Commun, 7, 2016
4XAZ
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BU of 4xaz by Molmil
Cycles of destabilization and repair underlie evolutionary transitions in enzymes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase variant PTE-R18, ZINC ION
Authors:Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
Deposit date:2014-12-16
Release date:2015-12-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
6IG2
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BU of 6ig2 by Molmil
Structure of mitochondrial CDP-DAG synthase Tam41 complexed with CTP, delta 74, F240A
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, Phosphatidate cytidylyltransferase, mitochondrial
Authors:Jiao, H.Z, Yin, Y, Liu, Z.F.
Deposit date:2018-09-23
Release date:2019-07-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.882 Å)
Cite:Structures of the Mitochondrial CDP-DAG Synthase Tam41 Suggest a Potential Lipid Substrate Pathway from Membrane to the Active Site.
Structure, 27, 2019
4XD4
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BU of 4xd4 by Molmil
Phosphotriesterase variant E2b
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R3, ...
Authors:Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
Deposit date:2014-12-19
Release date:2015-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
5EMO
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BU of 5emo by Molmil
Structure of the star domain of T-STAR in complex with AUUAAA RNA
Descriptor: KH domain-containing, RNA-binding, signal transduction-associated protein 3, ...
Authors:Dominguez, C, Feracci, M.
Deposit date:2015-11-06
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Structural basis of RNA recognition and dimerization by the STAR proteins T-STAR and Sam68.
Nat Commun, 7, 2016
4XES
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BU of 4xes by Molmil
Structure of active-like neurotensin receptor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Krumm, B.E, White, J.F, Shah, P, Grisshammer, R.
Deposit date:2014-12-24
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural prerequisites for G-protein activation by the neurotensin receptor.
Nat Commun, 6, 2015
5ENK
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BU of 5enk by Molmil
Compound 18
Descriptor: (4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Lewis, H.A.
Deposit date:2015-11-09
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
6ZZH
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BU of 6zzh by Molmil
Structure of soluble SmhB crystal form 2 of the tripartite alpha-pore forming toxin, Smh, from Serratia marcescens.
Descriptor: SmhB
Authors:Churchill-Angus, A.M, Baker, P.J.
Deposit date:2020-08-04
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Characterisation of a tripartite alpha-pore forming toxin from Serratia marcescens
Sci Rep, 11, 2021
5M4E
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BU of 5m4e by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
Descriptor: Heat shock protein HSP 90-alpha, SULFATE ION, ~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide
Authors:Baker, L.M.
Deposit date:2016-10-18
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
6ZSY
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BU of 6zsy by Molmil
Crystal structure of the Grindelwald extracellular domain complex
Descriptor: Protein grindelwald
Authors:Palmerini, V, Cecatiello, V, Pasqualato, S, Mapelli, M.
Deposit date:2020-07-17
Release date:2021-03-31
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (0.926 Å)
Cite:Drosophila TNFRs Grindelwald and Wengen bind Eiger with different affinities and promote distinct cellular functions.
Nat Commun, 12, 2021
6RVB
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BU of 6rvb by Molmil
NADH-dependent Coenzyme A Disulfide Reductase soaked with NADH
Descriptor: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase, ...
Authors:Koepke, J, Preu, J.
Deposit date:2019-05-31
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Characterization and X-ray structure of the NADH-dependent coenzyme A disulfide reductase from Thermus thermophilus.
Biochim Biophys Acta Bioenerg, 1860, 2019
4XDG
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BU of 4xdg by Molmil
Crystal Structure of Quinone Reductase II in complex with 2-(4-aminophenyl)-5-methoxy-1-oxy-indol-3-one molecule
Descriptor: (2S)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3H-indol-3-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sirigu, S, Nepveu, F, Vuillard, L, Ferry, G, Isabet, T, Thompson, A, Boutin, J.A.
Deposit date:2014-12-19
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Role of Quinone Reductase 2 in the Antimalarial Properties of Indolone-Type Derivatives.
Molecules, 22, 2017
7A9W
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BU of 7a9w by Molmil
Structure of yeast Rmd9p in complex with 20nt target RNA
Descriptor: CHLORIDE ION, Protein RMD9, mitochondrial, ...
Authors:Hillen, H.S, Markov, D.A, Ireneusz, W.D, Hofmann, K.B, Cowan, A.T, Jones, J.L, Temiakov, D, Cramer, P, Anikin, M.
Deposit date:2020-09-02
Release date:2021-04-07
Last modified:2021-05-05
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The pentatricopeptide repeat protein Rmd9 recognizes the dodecameric element in the 3'-UTRs of yeast mitochondrial mRNAs.
Proc.Natl.Acad.Sci.USA, 118, 2021
6S1E
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BU of 6s1e by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from all available diffraction patterns
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C.
Deposit date:2019-06-18
Release date:2020-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
7A9X
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BU of 7a9x by Molmil
Structure of yeast Rmd9p in complex with 16nt target RNA
Descriptor: CHLORIDE ION, Protein RMD9, mitochondrial, ...
Authors:Hillen, H.S, Markov, D.A, Ireneusz, W.D, Hofmann, K.B, Cowan, A.T, Jones, J.L, Temiakov, D, Cramer, P, Anikin, M.
Deposit date:2020-09-02
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The pentatricopeptide repeat protein Rmd9 recognizes the dodecameric element in the 3'-UTRs of yeast mitochondrial mRNAs.
Proc.Natl.Acad.Sci.USA, 118, 2021

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