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3ATO
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BU of 3ato by Molmil
Glycine ethyl ester shielding on the aromatic surfaces of lysozyme: Implication for suppression of protein aggregation
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Ito, L, Shiraki, K, Hasegawa, K, Kumasaka, T.
登録日2011-01-06
公開日2012-03-07
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Glycine ethyl ester shielding on the aromatic surfaces of lysozyme: Implication for suppression of protein aggregation
To be Published
2RN9
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BU of 2rn9 by Molmil
Solution structure of human apoCox17
分子名称: Cytochrome c oxidase copper chaperone
著者Banci, L, Bertini, I, Ciofi-Baffoni, S, Janicka, A, Martinelli, M, Kozlowski, H, Palumaa, P.
登録日2007-12-08
公開日2007-12-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A structural-dynamical characterization of human cox17
J.Biol.Chem., 283, 2008
2RNB
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BU of 2rnb by Molmil
Solution structure of human Cu(I)Cox17
分子名称: COPPER (I) ION, Cytochrome c oxidase copper chaperone
著者Banci, L, Bertini, I, Ciofi-Baffoni, S, Janicka, A, Martinelli, M, Kozlowski, H, Palumaa, P.
登録日2007-12-08
公開日2007-12-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A structural-dynamical characterization of human cox17
J.Biol.Chem., 283, 2008
2RLY
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BU of 2rly by Molmil
FBP28WW2 domain in complex with PTPPPLPP peptide
分子名称: Formin-1, Transcription elongation regulator 1
著者Ramirez-Espain, X, Ruiz, L, Martin-Malpartida, P, Oschkinat, H, Macias, M.J.
登録日2007-09-03
公開日2007-11-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Characterization of a New Binding Motif and a Novel Binding Mode in Group 2 WW Domains
J.Mol.Biol., 373, 2007
6ZHY
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BU of 6zhy by Molmil
Cryo-EM structure of the regulatory linker of ALC1 bound to the nucleosome's acidic patch: hexasome class.
分子名称: Chromodomain-helicase-DNA-binding protein 1-like, DNA (110-MER) Widom 601 sequence, Histone H2A type 1, ...
著者Bacic, L, Gaullier, G, Deindl, S.
登録日2020-06-24
公開日2020-12-23
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Mechanistic Insights into Regulation of the ALC1 Remodeler by the Nucleosome Acidic Patch.
Cell Rep, 33, 2020
3G9H
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BU of 3g9h by Molmil
Crystal structure of the C-terminal mu homology domain of Syp1
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Suppressor of yeast profilin deletion
著者Reider, A, Barker, S, Mishra, S, Im, Y.J, Maldonado-Baez, L, Hurley, J, Traub, L, Wendland, B.
登録日2009-02-13
公開日2009-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Syp1 is a conserved endocytic adaptor that contains domains involved in cargo selection and membrane tubulation.
Embo J., 28, 2009
2UUE
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BU of 2uue by Molmil
REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors
分子名称: 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID, 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE, CELL DIVISION PROTEIN KINASE 2, ...
著者Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M.
登録日2007-03-02
公開日2007-03-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
2UUR
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BU of 2uur by Molmil
N-terminal NC4 domain of collagen IX
分子名称: 1,2-ETHANEDIOL, COLLAGEN ALPHA-1(IX) CHAIN, SULFATE ION, ...
著者Leppanen, V.-M, Tossavainen, H, Permi, P, Lehtio, L, Ronnholm, G, Goldman, A, Kilpelainen, I, Pihlajamaa, T.
登録日2007-03-07
公開日2007-06-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the N-Terminal Nc4 Domain of Collagen Ix, a Zinc Binding Member of the Laminin-Neurexin-Sex Hormone Binding Globulin (Lns) Domain Family.
J.Biol.Chem., 282, 2007
2UV6
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BU of 2uv6 by Molmil
Crystal Structure of a CBS domain pair from the regulatory gamma1 subunit of human AMPK in complex with AMP
分子名称: 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ADENOSINE MONOPHOSPHATE
著者Day, P, Sharff, A, Parra, L, Cleasby, A, Williams, M, Horer, S, Nar, H, Redemann, N, Tickle, I, Yon, J.
登録日2007-03-09
公開日2007-05-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a Cbs-Domain Pair from the Regulatory Gamma1 Subunit of Human Ampk in Complex with AMP and Zmp.
Acta Crystallogr.,Sect.D, 63, 2007
2UW2
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BU of 2uw2 by Molmil
Crystal structure of human ribonucleotide reductase subunit R2
分子名称: FE (III) ION, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE M2 SUBUNIT
著者Welin, M, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Kotenyova, T, Magnusdottir, A, Moche, M, Nilsson-Ehle, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Stenmark, P, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P.
登録日2007-03-16
公開日2007-04-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of Human Ribonucleotide Reductase Subunit R2
To be Published
6XX7
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BU of 6xx7 by Molmil
Arabidopsis thaliana Casein Kinase 2 (CK2) alpha-1 crystal in complex with ANP
分子名称: CHLORIDE ION, Casein kinase II subunit alpha-1, MAGNESIUM ION, ...
著者Demulder, M, De Veylder, L, Loris, R.
登録日2020-01-27
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Arabidopsis thaliana casein kinase 2 alpha 1.
Acta Crystallogr.,Sect.F, 76, 2020
6TAV
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BU of 6tav by Molmil
Crystal structure of endopeptidase-induced alpha2-macroglobulin
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, Alpha-2-macroglobulin, ...
著者Gomis-Ruth, F.X, Duquerroy, S, Trapani, S, Marrero, A, Goulas, T, Guevara, T, Andersen, G.A, Sottrup-Jensen, L, Navaza, J.
登録日2019-10-30
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Cryo-EM structures shows the mechanistic basis of pan-peptidase inhibition by human alpha2-macroglobulin
Proc.Natl.Acad.Sci.USA, 2022
6Z48
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BU of 6z48 by Molmil
Crystal structure of Thrombin in complex with macrocycle X1vE
分子名称: 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide, SODIUM ION, Thrombin heavy chain, ...
著者Angelini, A, Habeshian, S, Heinis, C, Cendron, L.
登録日2020-05-23
公開日2022-06-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Synthesis and direct assay of large macrocycle diversities by combinatorial late-stage modification at picomole scale.
Nat Commun, 13, 2022
3BG5
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BU of 3bg5 by Molmil
Crystal Structure of Staphylococcus Aureus Pyruvate Carboxylase
分子名称: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
著者Xiang, S, Tong, L.
登録日2007-11-26
公開日2008-02-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of human and Staphylococcus aureus pyruvate carboxylase and molecular insights into the carboxyltransfer reaction.
Nat.Struct.Mol.Biol., 15, 2008
2UY8
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BU of 2uy8 by Molmil
R92A mutant of Bacillus subtilis Oxalate Decarboxylase OxdC
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, OXALATE DECARBOXYLASE OXDC
著者Just, V.J, Burrell, M.R, Bowater, L, McRobbie, I, Stevenson, C.E.M, Lawson, D.M, Bornemann, S.
登録日2007-04-03
公開日2007-08-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Identity of the Active Site of Oxalate Decarboxylase and the Importance of the Stability of Active-Site Lid Conformations.
Biochem.J., 407, 2007
3BIJ
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BU of 3bij by Molmil
Crystal structure of protein GSU0716 from Geobacter sulfurreducens. Northeast Structural Genomics target GsR13
分子名称: Uncharacterized protein GSU0716
著者Forouhar, F, Neely, H, Su, M, Seetharaman, J, Benach, J, Conover, K, Fang, Y, Xiao, R, Owen, L.A, Maglaqui, M, Cunningham, K, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-11-30
公開日2007-12-11
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of protein GSU0716 from Geobacter sulfurreducens.
To be Published
2XBV
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BU of 2xbv by Molmil
Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor
分子名称: (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W.
登録日2010-04-15
公開日2010-08-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
3BJN
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BU of 3bjn by Molmil
Crystal structure of C-terminal domain of putative transcriptional regulator from Vibrio cholerae, targeted domain 79-240
分子名称: CHLORIDE ION, Transcriptional regulator, putative
著者Chang, C, Volkart, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-12-04
公開日2007-12-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of C-terminal domain of putative transcriptional regulator from Vibrio cholerae.
To be Published
2XHD
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BU of 2xhd by Molmil
Crystal structure of N-((2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H- inden-2-yl)-2-propanesulfonamide in complex with the ligand binding domain of the human GluA2 receptor
分子名称: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N-[(2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3-DIHYDRO-1H-INDEN-2-YL]-2-PROPANESULFONAMIDE, ...
著者Ward, S.E, Harries, M, Aldegheri, L, Andreotti, D, Ballantine, S, Bax, B.D, Harris, A.J, Harker, A.J, Lund, J, Melarange, R, Mingardi, A, Mookherjee, C, Mosley, J, Neve, M, Oliosi, B, Profeta, R, Smith, K.J, Smith, P.W, Spada, S, Thewlis, K.M, Yusaf, S.P.
登録日2010-06-14
公開日2010-07-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of N-[(2S)-5-(6-Fluoro-3-Pyridinyl)-2,3-Dihydro-1H-Inden-2-Yl]-2-Propanesulfonamide, a Novel Clinical Ampa Receptor Positive Modulator.
J.Med.Chem., 53, 2010
3B2X
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BU of 3b2x by Molmil
Crystal Structure of E. coli Aminopeptidase N in complex with Lysine
分子名称: Aminopeptidase N, GLYCEROL, LYSINE, ...
著者Addlagatta, A, Gay, L, Matthews, B.W.
登録日2007-10-19
公開日2008-05-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for the unusual specificity of Escherichia coli aminopeptidase N.
Biochemistry, 47, 2008
6ZQW
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BU of 6zqw by Molmil
Cryo-EM structure of immature Spondweni virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, prM
著者Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M.
登録日2020-07-10
公開日2021-01-20
最終更新日2021-08-04
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
2XP6
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BU of 2xp6 by Molmil
DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION
分子名称: 2-(3-CHLORO-PHENYL)-5-METHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1
著者Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D.
登録日2010-08-25
公開日2011-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution.
Bioorg.Med.Chem.Lett., 20, 2010
2XFI
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BU of 2xfi by Molmil
Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino)benzamide
分子名称: BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE
著者Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2010-05-24
公開日2010-07-07
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
2XIG
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The structure of the Helicobacter pylori ferric uptake regulator Fur reveals three functional metal binding sites
分子名称: CITRIC ACID, FERRIC UPTAKE REGULATION PROTEIN, ZINC ION
著者Dian, C, Vitale, S, Leonard, G.A, Fauquant, F, Muller, C, Bahlawane, C, de Reuse, H, Michaud-Soret, I, Terradot, L.
登録日2010-06-29
公開日2011-01-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Structure of the Helicobacter Pylori Ferric Uptake Regulator Fur Reveals Three Functional Metal Binding Sites.
Mol.Microbiol., 79, 2011
3B8T
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Crystal structure of Escherichia coli alaine racemase mutant P219A
分子名称: Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
登録日2007-11-02
公開日2008-07-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008

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