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5FTN
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BU of 5ftn by Molmil
Cryo-EM structure of human p97 bound to ATPgS (Conformation III)
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
著者Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
登録日2016-01-14
公開日2016-01-27
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
5XUQ
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BU of 5xuq by Molmil
Crystal structure of VDR-LBD complexed with an antagonist, 2-methylidene-19,26,27-trinor-22-(S)-butyl-1-hydroxy-25-oxo-25-(1H-pyrrol-2-yl)- vitamin D3
分子名称: (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(1~{H}-pyrrol-2-yl)octan-1-one, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
著者Kato, A, Itoh, T, Yamamoto, K.
登録日2017-06-24
公開日2018-06-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Potent Vitamin D Receptor Antagonist
To Be Published
5X7O
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BU of 5x7o by Molmil
Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Fujimoto, Z, Suzuki, N, Kishine, N, Momma, M, Ichinose, H, Kimura, A, Funane, K.
登録日2017-02-27
公開日2017-07-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Biochem. J., 474, 2017
5JJF
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BU of 5jjf by Molmil
Structure of the SRII/HtrII Complex in I212121 space group ("U" shape) - M state
分子名称: EICOSANE, RETINAL, Sensory rhodopsin II transducer, ...
著者Ishchenko, A, Round, E, Borshchevskiy, V, Grudinin, S, Gushchin, I, Klare, J, Remeeva, A, Polovinkin, V, Utrobin, P, Balandin, T, Engelhard, M, Bueldt, G, Gordeliy, V.
登録日2016-04-23
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex.
Sci Rep, 7, 2017
4NIA
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BU of 4nia by Molmil
Satellite Tobacco Mosaic Virus Refined at room temperature to 1.8 A Resolution using NCS Restraints
分子名称: Coat protein, MAGNESIUM ION, PHOSPHATE ION, ...
著者Larson, S.B, Day, J.S, McPherson, A.
登録日2013-11-05
公開日2014-09-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Satellite tobacco mosaic virus refined to 1.4 angstrom resolution.
Acta Crystallogr.,Sect.D, 70, 2014
7YYE
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BU of 7yye by Molmil
Orthorombic crystal structure of YTHDF1 YTH domain (G459N mutant) form I
分子名称: 1,2-ETHANEDIOL, MALONIC ACID, YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2022-02-17
公開日2023-03-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
7YYF
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BU of 7yyf by Molmil
Orthorombic crystal structure of YTHDF1 YTH domain (G459N mutant) form II
分子名称: YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2022-02-17
公開日2023-03-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
7YYJ
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BU of 7yyj by Molmil
Tetragonal crystal structure of YTHDF1 YTH domain (544AVV546 mutant)
分子名称: 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2022-02-18
公開日2023-03-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
7YZ8
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BU of 7yz8 by Molmil
Triclinic crystal structure of YTHDF1 YTH domain (544AVV546 mutant)
分子名称: THIOCYANATE ION, YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2022-02-19
公開日2023-03-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
7Z3U
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BU of 7z3u by Molmil
Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, Calpeptin, ...
著者Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
登録日2022-03-02
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
1W9D
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BU of 1w9d by Molmil
S. alba myrosinase in complex with S-ethyl phenylacetothiohydroximate- O-sulfate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Bourderioux, A, Lefoix, M, Gueyrard, D, Tatibouet, A, Cottaz, S, Arzt, S, Burmeister, W.P, Rollin, P.
登録日2004-10-08
公開日2005-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Glucosinolate-Myrosinase System. New Insights Into Enzyme-Substrate Interactions by Use of Simplified Inhibitors
Org.Biomol.Chem., 3, 2005
6R35
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BU of 6r35 by Molmil
Structure of the LecB lectin from Pseudomonas aeruginosa strain PAO1 in complex with lewis x tetrasaccharide
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ...
著者Lepsik, M, Sommer, R, Kuhaudomlarp, S, Lelimousin, M, Varrot, A, Titz, A, Imberty, A.
登録日2019-03-19
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Induction of rare conformation of oligosaccharide by binding to calcium-dependent bacterial lectin: X-ray crystallography and modelling study.
Eur.J.Med.Chem., 177, 2019
1W62
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BU of 1w62 by Molmil
proline racemase in complex with one molecule of pyrrole-2-carboxylic acid (hemi form)
分子名称: PYRROLE-2-CARBOXYLATE, Proline racemase A
著者Buschiazzo, A, Alzari, P.
登録日2004-08-12
公開日2006-02-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure, catalytic mechanism, and mitogenic properties of Trypanosoma cruzi proline racemase.
Proc. Natl. Acad. Sci. U.S.A., 103, 2006
3TUA
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BU of 3tua by Molmil
Crystal Structure of the Burkholderia Lethal Factor 1 (BLF1) C94S mutant
分子名称: Burkholderia Lethal Factor 1 (BLF1)
著者Cruz, A, Hautbergue, G.M, Artymiuk, P.J, Baker, P.J, Chang, C.T, Mahadi, N.M, Mobbs, G.W, Mohamed, R, Nathan, S, Partridge, L.J, Raih, M.F, Ruzheinikov, S.N, Sedelnikova, S.E, Wilson, S.A, Rice, D.W.
登録日2011-09-16
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献A Burkholderia pseudomallei toxin inhibits helicase activity of translation factor eIF4A.
Science, 334, 2011
4F7R
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BU of 4f7r by Molmil
Crystal structure of 14-3-3 protein from Giardia intestinalis
分子名称: 14-3-3 protein, SULFATE ION
著者Fiorillo, A, Ilari, A, Lalle, M.
登録日2012-05-16
公開日2013-05-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Crystal Structure of Giardia duodenalis 14-3-3 in the Apo Form: When Protein Post-Translational Modifications Make the Difference.
Plos One, 9, 2014
1W61
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BU of 1w61 by Molmil
proline racemase in complex with 2 molecules of pyrrole-2-carboxylic acid (holo form)
分子名称: B-CELL MITOGEN, PYRROLE-2-CARBOXYLATE
著者Buschiazzo, A, Alzari, P.
登録日2004-08-11
公開日2006-02-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure,Catalytic Mechanism and Mitogenic Properties of Trypanosoma Cruzi Proline Racemase
Proc.Natl.Acad.Sci.USA, 103, 2006
2QEL
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BU of 2qel by Molmil
Crystal structure of the highly amyloidogenic transthyretin mutant TTR G53S/E54D/L55S- heated protein
分子名称: Transthyretin
著者Karlsson, A, Sauer-Eriksson, A.E.
登録日2007-06-26
公開日2007-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Heating of proteins as a means of improving crystallization: a successful case study on a highly amyloidogenic triple mutant of human transthyretin
Acta Crystallogr.,Sect.F, 63, 2007
2QFB
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BU of 2qfb by Molmil
Crystal structure of the regulatory domain of human RIG-I with bound Zn
分子名称: Probable ATP-dependent RNA helicase DDX58, ZINC ION
著者Cui, S, Lammens, A, Lammens, K, Hopfner, K.P.
登録日2007-06-27
公開日2008-02-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The C-Terminal Regulatory Domain Is the RNA 5'-Triphosphate Sensor of RIG-I.
Mol.Cell, 29, 2008
8C9J
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BU of 8c9j by Molmil
Crystal structure of human NQO1 by serial femtosecond crystallography
分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Pey, A, Botha, S, Ros, A.
登録日2023-01-23
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme.
Lab Chip, 23, 2023
1MSF
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BU of 1msf by Molmil
SOLUTION STRUCTURE OF A SPECIFIC DNA COMPLEX OF THE MYB DNA-BINDING DOMAIN WITH COOPERATIVE RECOGNITION HELICES
分子名称: C-Myb DNA-Binding Domain, DNA (5'-D(*AP*TP*GP*TP*GP*TP*GP*TP*CP*AP*GP*TP*TP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*AP*AP*CP*TP*GP*AP*CP*AP*CP*AP*CP*AP*T)-3')
著者Ogata, K, Morikawa, S, Nakamura, H, Sekikawa, A, Inoue, T, Kanai, H, Sarai, A, Ishii, S, Nishimura, Y.
登録日1995-01-24
公開日1995-03-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a specific DNA complex of the Myb DNA-binding domain with cooperative recognition helices.
Cell(Cambridge,Mass.), 79, 1994
1WKX
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BU of 1wkx by Molmil
Crystal Structure of a Hev b 6.02 Isoallergen
分子名称: HEVEIN ISOFORM 2
著者Reyes-Lopez, C.A, Rodriguez-Romero, A.
登録日2004-06-12
公開日2005-07-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Immunological Characterization of an Isoallergen of Hev b 6.02
to be published
1WDD
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BU of 1wdd by Molmil
Crystal Structure of Activated Rice Rubisco Complexed with 2-Carboxyarabinitol-1,5-bisphosphate
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Mizohata, E, Matsumura, H, Ueno, T, Ishida, H, Inoue, T, Makino, A, Mae, T, Kai, Y.
登録日2004-05-13
公開日2004-11-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of rice Rubisco and implications for activation induced by positive effectors NADPH and 6-phosphogluconate
J.Mol.Biol., 422, 2012
4XL5
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BU of 4xl5 by Molmil
X-ray structure of bGFP-A / EGFP complex
分子名称: Green fluorescent protein, bGFP-A
著者Chevrel, A, Urvoas, A, Li de la Sierra-Gallay, I, Van Tilbeurgh, H, Minard, P, Valerio-Lepiniec, M.
登録日2015-01-13
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Specific GFP-binding artificial proteins ( alpha Rep): a new tool for in vitro to live cell applications.
Biosci.Rep., 35, 2015
4FCR
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BU of 4fcr by Molmil
Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
分子名称: 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide, Heat shock protein HSP 90-alpha
著者Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P.
登録日2012-05-25
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
1N00
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Annexin Gh1 from cotton
分子名称: SULFATE ION, annexin Gh1
著者Hofmann, A, Delmer, D.P, Wlodawer, A.
登録日2002-10-10
公開日2003-06-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of annexin Gh1 from Gossypium hirsutum reveals an unusual S3 cluster.
Eur.J.Biochem., 270, 2003

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