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5E79
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Macromolecular diffractive imaging using imperfect crystals
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Ayyer, K, Yefanov, O, Oberthur, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffer, A, Dorner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N.
登録日2015-10-12
公開日2017-02-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Macromolecular diffractive imaging using imperfect crystals.
Nature, 530, 2016
3ESK
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BU of 3esk by Molmil
Structure of HOP TPR2A domain in complex with the non-cognate Hsc70 peptide ligand
分子名称: Heat shock cognate 71 kDa protein, NICKEL (II) ION, Stress-induced-phosphoprotein 1
著者Kajander, T, Regan, L.
登録日2008-10-06
公開日2009-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Electrostatic interactions of Hsp-organizing protein tetratricopeptide domains with Hsp70 and Hsp90: computational analysis and protein engineering.
J.Biol.Chem., 284, 2009
6RMK
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BU of 6rmk by Molmil
Bacteriorhodopsin, dark state, cell 2, refined using the same protocol as sub-ps time delays
分子名称: Bacteriorhodopsin, RETINAL
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I.
登録日2019-05-07
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
6RT2
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BU of 6rt2 by Molmil
Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules designed to investigate the water envelope
分子名称: (3~{S})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid, BETA-MERCAPTOETHANOL, Peroxin 14, ...
著者Napolitano, V, Ratkova, E.L, Dawidowski, M, Dubin, G, Fino, R, Popowicz, G, Sattler, M, Tetko, I.V.
登録日2019-05-22
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Water envelope has a critical impact on the design of protein-protein interaction inhibitors.
Chem.Commun.(Camb.), 56, 2020
4G82
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BU of 4g82 by Molmil
Crystal Structure of p73 DNA-Binding Domain Tetramer bound to a Full Response-Element
分子名称: DNA (5'-D(P*GP*AP*AP*CP*AP*TP*GP*TP*TP*C)-3'), Tumor protein p73, ZINC ION
著者Ethayathulla, A.S, Viadiu, H.
登録日2012-07-20
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure of p73 DNA-Binding Domain Tetramer bound to a Full Response-Element
J.Biol.Chem., 2013
6M4K
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BU of 6m4k by Molmil
X-ray crystal structure of wild type alpha-amylase I from Eisenia fetida
分子名称: ACETATE ION, Alpha-amylase, CALCIUM ION, ...
著者Hirano, Y, Tsukamoto, K, Ariki, S, Naka, Y, Ueda, M, Tamada, T.
登録日2020-03-07
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献X-ray crystallographic structural studies of alpha-amylase I from Eisenia fetida.
Acta Crystallogr D Struct Biol, 76, 2020
5ZZ9
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BU of 5zz9 by Molmil
Crystal structure of Homer2 EVH1/Drebrin PPXXF complex
分子名称: Homer protein homolog 2, Peptide from Drebrin
著者Li, Z, Liu, H, Li, J, Liu, W, Zhang, M.
登録日2018-05-31
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Homer Tetramer Promotes Actin Bundling Activity of Drebrin.
Structure, 27, 2019
6U5D
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BU of 6u5d by Molmil
RT XFEL structure of CypA solved using LCP injection system
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Wolff, A.M, Young, I.D, Sierra, R.G, Brewster, A.S, Koralek, J.D, Boutet, S, Sauter, N.K, Fraser, J.S, Thompson, M.C.
登録日2019-08-27
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020
6RXI
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BU of 6rxi by Molmil
In-flow serial synchrotron crystallography using a 3D-printed microfluidic device (3D-MiXD): Lysozyme
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C, ...
著者Monteiro, D.C.F, von Stetten, D, Pearson, A.R, Trebbin, M.
登録日2019-06-08
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献3D-MiXD: 3D-printed X-ray-compatible microfluidic devices for rapid, low-consumption serial synchrotron crystallography data collection in flow.
Iucrj, 7, 2020
6S45
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BU of 6s45 by Molmil
Room temperature structure of the dark state of the LOV2 domain of phototropin-2 from Arabidopsis thaliana determined with a serial crystallography approach
分子名称: FLAVIN MONONUCLEOTIDE, Phototropin-2
著者Aumonier, S, Santoni, G, Gotthard, G, von Stetten, D, Leonard, G, Royant, A.
登録日2019-06-26
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Millisecond time-resolved serial oscillation crystallography of a blue-light photoreceptor at a synchrotron.
Iucrj, 7, 2020
6M4L
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BU of 6m4l by Molmil
X-ray crystal structure of the E249Q mutant of alpha-amylase I from Eisenia fetida
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Hirano, Y, Tsukamoto, K, Ariki, S, Naka, Y, Ueda, M, Tamada, T.
登録日2020-03-07
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray crystallographic structural studies of alpha-amylase I from Eisenia fetida.
Acta Crystallogr D Struct Biol, 76, 2020
3FLB
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BU of 3flb by Molmil
RifR - Type II thioesterase from Rifamycin NRPS/PKS biosynthetic pathway - Form 2
分子名称: CHLORIDE ION, RifR, TETRAETHYLENE GLYCOL
著者Smith, J.L, Akey, D.L.
登録日2008-12-18
公開日2009-01-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and Functional Analysis of RifR, the Type II Thioesterase from the Rifamycin Biosynthetic Pathway.
J.Biol.Chem., 284, 2009
8UPT
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BU of 8upt by Molmil
Candidatus Methanomethylophilus alvus tRNAPyl in A-site of ribosome
分子名称: RNA (71-MER)
著者Krahn, N, Zhang, J, Melnikov, S.V, Tharp, J.M, Villa, A, Patel, A, Howard, R.J, Gabir, H, Patel, T.R, Stetefeld, J, Puglisi, J, Soll, D.
登録日2023-10-23
公開日2024-01-10
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献tRNA shape is an identity element for an archaeal pyrrolysyl-tRNA synthetase from the human gut.
Nucleic Acids Res., 52, 2024
3DV4
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BU of 3dv4 by Molmil
Crystal structure of SAG506-01, tetragonal, crystal 1
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ...
著者Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V.
登録日2008-07-18
公開日2008-12-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments.
Acta Crystallogr.,Sect.D, 64, 2008
5FOZ
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BU of 5foz by Molmil
De novo structure of the binary mosquito larvicide BinAB at pH 10
分子名称: LARVICIDAL TOXIN PROTEIN, SODIUM ION, TOXIN
著者Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
登録日2015-11-26
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
7ZHX
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BU of 7zhx by Molmil
Leishmania donovani Glucose 6-Phosphate Dehydrogenase (N-terminal deletion variant)complexed with NADP(H)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Glucose-6-phosphate 1-dehydrogenase, ...
著者Fritz-Wolf, K, Berneburg, I.
登録日2022-04-07
公開日2022-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Leishmania donovani glucose 6-phosphate dehydrogenase reveals a unique N-terminal domain.
Commun Biol, 5, 2022
3WH1
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BU of 3wh1 by Molmil
Crystal Structure of a Family GH19 Chitinase from Bryum coronatum in complex with (GlcNAc)4 at 1.0 A resolution
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A
著者Numata, T, Umemoto, N, Ohnuma, T, Fukamizo, T.
登録日2013-08-21
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Crystal structure of a "loopless" GH19 chitinase in complex with chitin tetrasaccharide spanning the catalytic center.
Biochim.Biophys.Acta, 1844, 2014
4IDQ
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BU of 4idq by Molmil
human atlastin-1 1-446, N440T, GDPAlF4-
分子名称: Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, HEXAETHYLENE GLYCOL, ...
著者Byrnes, L.J, Singh, A, Szeto, K, Benvin, N.M, O'Donnell, J.P, Zipfel, W.R, Sondermann, H.
登録日2012-12-12
公開日2013-01-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Structural basis for conformational switching and GTP loading of the large G protein atlastin.
Embo J., 32, 2013
6SWV
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BU of 6swv by Molmil
Trypsin fast data collection
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者von Stetten, D, Mueller-Dieckmann, C.
登録日2019-09-24
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.432 Å)
主引用文献ID30A-3 (MASSIF-3) - a beamline for macromolecular crystallography at the ESRF with a small intense beam.
J.Synchrotron Radiat., 27, 2020
5FDH
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BU of 5fdh by Molmil
CRYSTAL STRUCTURE OF OXA-405 BETA-LACTAMASE
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Retailleau, P, Oueslati, S, Marchini, L, Dortet, L, Naas, T, Iorga, B.
登録日2015-12-16
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Biochemical and Structural Characterization of OXA-405, an OXA-48 Variant with Extended-Spectrum beta-Lactamase Activity.
Microorganisms, 8, 2019
8WJY
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BU of 8wjy by Molmil
PKMYT1_Cocrystal_Cpd 4
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ...
著者Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery of Tetrahydropyrazolopyrazine Derivatives as Potent and Selective MYT1 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 67, 2024
3M2Z
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BU of 3m2z by Molmil
Fragment tethered to Carbonic Anhydrase II H64C mutant
分子名称: CARBONATE ION, Carbonic anhydrase 2, N-(2-sulfanylethyl)benzamide, ...
著者Schulze Wischeler, J, Heine, A, Klebe, G.
登録日2010-03-08
公開日2011-07-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment screening on Carbonic Anydrase II via Tethering approach
To be Published
6N3S
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BU of 6n3s by Molmil
Crystal structure of apo-cruzain
分子名称: 1,2-ETHANEDIOL, Cruzipain, PHOSPHATE ION
著者Silva, E.B, Dall, E, Rodrigues, F.T.G, Ferreira, R.S, Brandstetter, H.
登録日2018-11-16
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.193 Å)
主引用文献Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design.
Acta Crystallogr.,Sect.F, 75, 2019
4ZCG
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BU of 4zcg by Molmil
Crystal Structure of human GGT1 in complex with Glutamate (with all atoms of glutamate)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ...
著者Terzyan, S, Hanigan, M.
登録日2015-04-15
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
4G83
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BU of 4g83 by Molmil
Crystal Structure of p73 DNA-Binding Domain Tetramer bound to a Full Response-Element
分子名称: Tumor protein p73, ZINC ION, dna
著者Ethayathulla, A.S, Viadiu, H.
登録日2012-07-20
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Crystal Structure of p73 DNA-Binding Domain Tetramer bound to a Full Response-Element
J.Biol.Chem., 2013

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