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5U5T
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BU of 5u5t by Molmil
Crystal structure of EED in complex with H3K27Me3 peptide and 3-(benzo[d][1,3]dioxol-4-ylmethyl)piperidine-1-carboximidamide
分子名称: (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ...
著者Bussiere, D, Shu, W.
登録日2016-12-07
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
7ZKC
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BU of 7zkc by Molmil
Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum (apo form)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, UDP-glucose-glycoprotein glucosyltransferase-like protein
著者Roversi, P, Zitzmann, N, Bayo, Y, Le Cornu, J.D.
登録日2022-04-12
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.769 Å)
主引用文献A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein folding quality control checkpoint.
Iscience, 26, 2023
7ZLU
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BU of 7zlu by Molmil
Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP-2-deoxy-2-fluoro-D-glucose
分子名称: 1,3-PROPANDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Roversi, P, Zitzmann, N, Bayo, Y, Ibba, R.
登録日2022-04-15
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein folding quality control checkpoint.
Iscience, 26, 2023
7ZLL
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BU of 7zll by Molmil
Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with the 5-[(morpholin-4-yl)methyl]quinolin-8-ol inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(morpholin-4-ylmethyl)quinolin-8-ol, UDP-glucose-glycoprotein glucosyltransferase-like protein, ...
著者Roversi, P, Zitzmann, N, Bayo, Y, Kantsadi, A.L, Chandran, A.V.
登録日2022-04-15
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.649 Å)
主引用文献A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein folding quality control checkpoint.
Iscience, 26, 2023
8PXC
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BU of 8pxc by Molmil
Structure of Fap1, a domain of the accessory Sec-dependent serine-rich glycoprotein adhesin from Streptococcus oralis, solved at wavelength 3.06 A
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Fap1
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Owen, C.D, Walsh, M.A, Wagner, A.
登録日2023-07-23
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PYV
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BU of 8pyv by Molmil
Structure of Human PS-1 GSH-analog complex, solved at wavelength 2.755 A
分子名称: L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, Prostaglandin E synthase
著者Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G.
登録日2023-07-26
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PX9
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BU of 8px9 by Molmil
Structure of the antibacterial peptide ABC transporter McjD, solved at wavelength 2.75 A
分子名称: MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bountra, K, Beis, K, Wagner, A.
登録日2023-07-22
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PZ4
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BU of 8pz4 by Molmil
Structure of alginate transporter, AlgE, solved at wavelength 2.755 A
分子名称: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
著者Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G.
登録日2023-07-26
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PX4
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BU of 8px4 by Molmil
Structure of the PAS domain code by the LIC_11128 gene from Leptospira interrogans serovar Copenhageni Fiocruz, solved at wavelength 3.09 A
分子名称: Diguanylate cyclase
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Guzzo, C.R, Owens, R.J, Wagner, A.
登録日2023-07-22
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PXJ
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BU of 8pxj by Molmil
Structure of Whitewater Arroyo virus GP1 glycoprotein, solved at wavelength 2.75 A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Glycoprotein G1, ...
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bowden, T.A, Wagner, A.
登録日2023-07-23
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PXG
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BU of 8pxg by Molmil
Structure of Streptactin, solved at wavelength 2.75 A
分子名称: CHLORIDE ION, GLYCEROL, Streptavidin
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Vecchia, L, Jones, E.Y, Wagner, A.
登録日2023-07-23
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PXH
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BU of 8pxh by Molmil
Structure of TauA from E. coli, solved at wavelength 2.375 A
分子名称: 2-AMINOETHANESULFONIC ACID, IODIDE ION, Taurine ABC transporter substrate-binding protein
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A.
登録日2023-07-23
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PZ5
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BU of 8pz5 by Molmil
Structure of ThcOx, solved at wavelength 3.099 A
分子名称: FLAVIN MONONUCLEOTIDE, SagB-type dehydrogenase domain protein
著者Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A.
登録日2023-07-27
公開日2023-10-25
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PX1
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BU of 8px1 by Molmil
Structure of salmonella effector SseK3, solved at wavelength 2.75 A
分子名称: Non-LEE encoded effector protein NleB
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C.M, Esposito, D, Rittinger, K, Wagner, A.
登録日2023-07-22
公開日2023-10-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PX7
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BU of 8px7 by Molmil
Structure of Bacterial Multidrug Efflux transporter AcrB, solved at wavelength 3.02 A
分子名称: Multidrug efflux pump subunit AcrB
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A.
登録日2023-07-22
公開日2023-10-25
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PYZ
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BU of 8pyz by Molmil
Structure of Ompk36GD from Klebsiella pneumonia, solved at wavelength 4.13 A
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, OmpK36
著者Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Kwong, H, Beis, K, Wagner, A.
登録日2023-07-26
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
4HD7
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BU of 4hd7 by Molmil
Crystal Structure of Tyrosinase from Bacillus megaterium V218G mutant soaked in CuSO4
分子名称: COPPER (II) ION, Tyrosinase
著者Goldfeder, M, Kanteev, M, Adir, N, Fishman, A.
登録日2012-10-02
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Influencing the monophenolase/diphenolase activity ratio in tyrosinase.
Biochim.Biophys.Acta, 1834, 2013
4HD4
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BU of 4hd4 by Molmil
Crystal Structure of Tyrosinase from Bacillus megaterium V218F mutant
分子名称: COPPER (II) ION, Tyrosinase
著者Goldfeder, M, Kanteev, M, Adir, N, Fishman, A.
登録日2012-10-02
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Influencing the monophenolase/diphenolase activity ratio in tyrosinase.
Biochim.Biophys.Acta, 1834, 2013
5U5H
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BU of 5u5h by Molmil
Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
分子名称: (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED
著者Bussiere, D, Shu, W.
登録日2016-12-06
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
6H5Q
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BU of 6h5q by Molmil
Cryo-EM structure of in vitro assembled Measles virus N into nucleocapsid-like particles (NCLPs) bound to polyA RNA hexamers.
分子名称: Nucleocapsid, RNA (5'-R(*AP*AP*AP*AP*AP*A)-3')
著者Desfosses, A, Milles, S, Ringkjobing Jensen, M, Guseva, S, Colletier, J, Maurin, D, Schoehn, G, Gutsche, I, Ruigrok, R, Blackledge, M.
登録日2018-07-25
公開日2019-03-13
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Assembly and cryo-EM structures of RNA-specific measles virus nucleocapsids provide mechanistic insight into paramyxoviral replication.
Proc.Natl.Acad.Sci.USA, 116, 2019
4HD6
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BU of 4hd6 by Molmil
Crystal Structure of Tyrosinase from Bacillus megaterium V218F mutant soaked in CuSO4
分子名称: COPPER (II) ION, Tyrosinase
著者Goldfeder, M, Kanteev, M, Adir, N, Fishman, A.
登録日2012-10-02
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Influencing the monophenolase/diphenolase activity ratio in tyrosinase.
Biochim.Biophys.Acta, 1834, 2013
4UET
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BU of 4uet by Molmil
Diversity in the structures and ligand binding sites among the fatty acid and retinol binding proteins of nematodes revealed by Na-FAR-1 from Necator americanus
分子名称: NEMATODE FATTY ACID RETINOID BINDING PROTEIN
著者Rey-Burusco, M.F, Ibanez Shimabukuro, M, Griffiths, K, Cooper, A, Kennedy, M.W, Corsico, B, Smith, B.O, Griffiths, K.
登録日2014-12-18
公開日2015-09-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Diversity in the Structures and Ligand Binding Sites of Nematode Fatty Acid and Retinol Binding Proteins Revealed by Na-Far-1 from Necator Americanus.
Biochem.J., 471, 2015
6EHO
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BU of 6eho by Molmil
Dimer of the Sortilin Vps10p domain at low pH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Thirup, S.S, Quistgaard, E.H, Januliene, D, Andersen, J.L, Nielsen, J.A.
登録日2017-09-14
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Acidic Environment Induces Dimerization and Ligand Binding Site Collapse in the Vps10p Domain of Sortilin.
Structure, 25, 2017
4EM7
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Crystal structure of a topoisomerase ATP inhibitor
分子名称: 3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid, DNA topoisomerase IV, B subunit
著者Boriack-Sjodin, P.A, Manchester, J.
登録日2012-04-11
公開日2012-08-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV.
Bioorg.Med.Chem.Lett., 22, 2012
5TGL
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BU of 5tgl by Molmil
A MODEL FOR INTERFACIAL ACTIVATION IN LIPASES FROM THE STRUCTURE OF A FUNGAL LIPASE-INHIBITOR COMPLEX
分子名称: LIPASE, N-HEXYLPHOSPHONATE ETHYL ESTER
著者Brzozowski, A.M, Derewenda, U, Derewenda, Z.S, Dodson, G.G, Lawson, D, Turkenburg, J.P, Bjorkling, F, Huge-Jensen, B, Patkar, S.R, Thim, L.
登録日1991-10-30
公開日1994-01-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A model for interfacial activation in lipases from the structure of a fungal lipase-inhibitor complex.
Nature, 351, 1991

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