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5LU6
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BU of 5lu6 by Molmil
Heptose isomerase mutant - H64Q
分子名称: 1,2-ETHANEDIOL, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, GLYCEROL, ...
著者Vivoli, M, Harmer, N.J, Pang, J.
登録日2016-09-08
公開日2017-12-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献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
分子名称: Green fluorescent protein
著者De Zitter, E, Dedecker, P, Van Meervelt, L.
登録日2020-08-30
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
分子名称: Predicted protein, SULFATE ION, methyl 1-seleno-alpha-L-fucopyranoside
著者Kato, R, Kiso, M, Ishida, H, Ando, H, Suzuki, T, Shimabukuro, S, Makyio, H.
登録日2015-11-10
公開日2016-06-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: (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, ...
著者Lewis, H.A.
登録日2015-11-09
公開日2016-10-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
著者Josephs, T.M, Gras, S, Rossjohn, J.
登録日2015-11-10
公開日2016-02-24
最終更新日2016-04-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
分子名称: CALCIUM ION, Protein S100-B, Receptor for advanced glycation endproducts-derived peptide (W61)
著者Jensen, J.L, Indurthi, V.S.K, Neau, D, Vetter, S.W, Colbert, C.L.
登録日2015-02-02
公開日2015-05-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献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)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity CAZyme, COPPER (II) ION
著者Frandsen, K.E.H, Tandrup, T, Labourel, A, Haon, M, Berrin, J.-G, Lo Leggio, L.
登録日2018-11-30
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT HEXAMMINE(III), Envelopment polyprotein, ...
著者Guardado-Calvo, P, Stettner, E, Jeffers, S.A, Rey, F.A.
登録日2016-07-20
公開日2016-09-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
著者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)
登録日2015-11-12
公開日2016-02-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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)
分子名称: (2E)-but-2-en-1-ol, Lachrymatory-factor synthase
著者Sato, Y, Arakawa, T, Takabe, J, Masamura, N, Tsuge, N, Imai, S, Fushinobu, S.
登録日2018-09-17
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION, TUNGSTATE(VI)ION
著者Wilkinson, C, Kellosalo, J, Kajander, T, Goldman, A.
登録日2016-10-01
公開日2016-12-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase variant PTE-R18, ZINC ION
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-16
公開日2015-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
分子名称: CYTIDINE-5'-TRIPHOSPHATE, Phosphatidate cytidylyltransferase, mitochondrial
著者Jiao, H.Z, Yin, Y, Liu, Z.F.
登録日2018-09-23
公開日2019-07-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.882 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R3, ...
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-19
公開日2015-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: KH domain-containing, RNA-binding, signal transduction-associated protein 3, ...
著者Dominguez, C, Feracci, M.
登録日2015-11-06
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献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
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Krumm, B.E, White, J.F, Shah, P, Grisshammer, R.
登録日2014-12-24
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: (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, ...
著者Lewis, H.A.
登録日2015-11-09
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献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.
分子名称: SmhB
著者Churchill-Angus, A.M, Baker, P.J.
登録日2020-08-04
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献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
分子名称: Heat shock protein HSP 90-alpha, SULFATE ION, ~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide
著者Baker, L.M.
登録日2016-10-18
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: Protein grindelwald
著者Palmerini, V, Cecatiello, V, Pasqualato, S, Mapelli, M.
登録日2020-07-17
公開日2021-03-31
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (0.926 Å)
主引用文献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
分子名称: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase, ...
著者Koepke, J, Preu, J.
登録日2019-05-31
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: (2S)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3H-indol-3-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Sirigu, S, Nepveu, F, Vuillard, L, Ferry, G, Isabet, T, Thompson, A, Boutin, J.A.
登録日2014-12-19
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
分子名称: CHLORIDE ION, Protein RMD9, mitochondrial, ...
著者Hillen, H.S, Markov, D.A, Ireneusz, W.D, Hofmann, K.B, Cowan, A.T, Jones, J.L, Temiakov, D, Cramer, P, Anikin, M.
登録日2020-09-02
公開日2021-04-07
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献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
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者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.
登録日2019-06-18
公開日2020-07-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
7A9X
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Structure of yeast Rmd9p in complex with 16nt target RNA
分子名称: CHLORIDE ION, Protein RMD9, mitochondrial, ...
著者Hillen, H.S, Markov, D.A, Ireneusz, W.D, Hofmann, K.B, Cowan, A.T, Jones, J.L, Temiakov, D, Cramer, P, Anikin, M.
登録日2020-09-02
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献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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