4CRD
 
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | 分子名称: | COAGULATION FACTOR XI, Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate, SULFATE ION | | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | 登録日 | 2014-02-26 | | 公開日 | 2015-02-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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5TB7
 | | Structure of nitrite reductase AniA from Neisseria gonorrhoeae, space group P212121 | | 分子名称: | COPPER (II) ION, Nitrite reductase, PHOSPHATE ION | | 著者 | Hamza, A, Williamson, Z.A, Reed, R.W, Sikora, A.E, Korotkov, K.V. | | 登録日 | 2016-09-11 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Peptide Inhibitors Targeting the Neisseria gonorrhoeae Pivotal Anaerobic Respiration Factor AniA.
Antimicrob. Agents Chemother., 61, 2017
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2CLZ
 | | Mhc Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and pBM1 peptide | | 分子名称: | BETA-2 MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN, ... | | 著者 | Mazza, C, Auphan-Anezin, N, Guimezanes, A, Barrett-Wilt, G.A, Montero-Julian, F, Roussel, A, Hunt, D.F, Schmitt-Verhulst, A.M, Malissen, B. | | 登録日 | 2006-05-03 | | 公開日 | 2006-06-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Distinct Orientation of the Alloreactive Monoclonal Cd8 T Cell Activation Program by Three Different Peptide/Mhc Complexes.
Eur.J.Immunol., 36, 2006
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6TEQ
 | | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with 2-deoxy-2-fluoro-galactose | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-alpha-D-galactopyranose, ... | | 著者 | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | | 登録日 | 2019-11-12 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Cell Chem Biol, 27, 2020
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4CVJ
 | | Neutron Structure of Compound I intermediate of Cytochrome c Peroxidase - Deuterium exchanged 100 K | | 分子名称: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E. | | 登録日 | 2014-03-27 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | NEUTRON DIFFRACTION (2.182 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase
Science, 345, 2014
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4D91
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3WY8
 | | Crystal Structure of Protease Anisep from Arthrobacter Nicotinovorans | | 分子名称: | Serine protease | | 著者 | Sone, T, Haraguchi, Y, Kuwahara, A, Ose, T, Takano, M, Abe, A, Tanaka, M, Tanaka, I, Asano, K. | | 登録日 | 2014-08-20 | | 公開日 | 2015-08-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural characterization reveals the keratinolytic activity of an arthrobacter nicotinovorans protease.
Protein Pept.Lett., 22, 2015
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3ZGF
 | | Crystal structure of the Fucosylgalactoside alpha N- acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with in complex with NPE caged UDP-Gal (P2(1)2(1)2(1) space group) | | 分子名称: | 1-(2-NITROPHENYL)ETHYL UDP-GALACTOSE, HISTO-BLOOD GROUP ABO SYSTEM TRANSFERASE, MANGANESE (II) ION, ... | | 著者 | Jorgensen, R, Batot, G.O, Hindsgaul, O, Tanaka, H, Perez, S, Imberty, A, Breton, C, Royant, A, Palcic, M.M. | | 登録日 | 2012-12-17 | | 公開日 | 2013-01-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | Structures of a Human Blood Group Glycosyltransferase in Complex with a Photo-Activatable Udp-Gal Derivative Reveal Two Different Binding Conformations
Acta Crystallogr.,Sect.F, 70, 2014
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4D52
 | | CRYSTAL STRUCTURE OF FUCOSE BINDING LECTIN FROM ASPERGILLUS FUMIGATUS (AFL) IN COMPLEX WITH L-GALACTOPYRANOSE. | | 分子名称: | DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA, SODIUM ION, ... | | 著者 | Houser, J, Cioci, G, Komarek, J, Wimmerowa, M, Kostlanova, N, Lahmann, M, Varrot, A, Imberty, A. | | 登録日 | 2014-11-01 | | 公開日 | 2015-03-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent.
Acta Crystallogr.,Sect.D, 71, 2015
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4CVI
 | | Neutron Structure of Ferric Cytochrome c Peroxidase - Deuterium exchanged at room temperature | | 分子名称: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E. | | 登録日 | 2014-03-27 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | NEUTRON DIFFRACTION (2.1 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase
Science, 345, 2014
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2CLV
 | | MHC Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and pBM8 peptide | | 分子名称: | BETA-2 MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN, ... | | 著者 | Mazza, C, Auphan-Anezin, N, Guimezanes, A, Barrett-Wilt, G.A, Montero-Julian, F, Roussel, A, Hunt, D.F, Schmitt-Verhulst, A.M, Malissen, B. | | 登録日 | 2006-05-02 | | 公開日 | 2006-06-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Distinct orientation of the alloreactive monoclonal CD8 T cell activation program by three different peptide/MHC complexes.
Eur. J. Immunol., 36, 2006
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3WYW
 | | Structural characterization of catalytic site of a Nilaparvata lugens delta-class glutathione transferase | | 分子名称: | 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase | | 著者 | Yamamoto, K, Higashiura, A, Nakagawa, A. | | 登録日 | 2014-09-09 | | 公開日 | 2015-01-14 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural characterization of the catalytic site of a Nilaparvata lugens delta-class glutathione transferase.
Arch.Biochem.Biophys., 566C, 2014
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1OFF
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3SMR
 | | Crystal structure of human WD repeat domain 5 with compound | | 分子名称: | 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ... | | 著者 | Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2011-06-28 | | 公開日 | 2011-08-31 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
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1OGT
 | | CRYSTAL STRUCTURE OF HLA-B*2705 COMPLEXED WITH THE VASOACTIVE INTESTINAL PEPTIDE TYPE 1 RECEPTOR (VIPR) PEPTIDE (RESIDUES 400-408) | | 分子名称: | BETA-2-MICROGLOBULIN, GLYCEROL, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | 著者 | Hulsmeyer, M, Fiorillo, M.T, Bettosini, F, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | 登録日 | 2003-05-13 | | 公開日 | 2004-01-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Dual, HLA-B27 subtype-dependent conformation of a self-peptide.
J. Exp. Med., 199, 2004
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1OFD
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5T6L
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1CAX
 | | DETERMINATION OF THREE CRYSTAL STRUCTURES OF CANAVALIN BY MOLECULAR REPLACEMENT | | 分子名称: | CANAVALIN | | 著者 | Ko, T-P, Ng, J.D, Day, J, Greenwood, A, McPherson, A. | | 登録日 | 1993-06-10 | | 公開日 | 1993-10-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Determination of three crystal structures of canavalin by molecular replacement.
Acta Crystallogr.,Sect.D, 49, 1993
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4D4U
 | | Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with LewisY tetrasaccharide. | | 分子名称: | FUCOSE-SPECIFIC LECTIN FLEA, GLYCEROL, alpha-L-fucopyranose, ... | | 著者 | Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M. | | 登録日 | 2014-10-31 | | 公開日 | 2015-03-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent.
Acta Crystallogr.,Sect.D, 71, 2015
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4D9W
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3SOS
 | | Benzothiazinone inhibitor in complex with FXIa | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRIC ACID, Coagulation factor XI, ... | | 著者 | Fradera, X, Kazemier, B, Oubrie, A. | | 登録日 | 2011-06-30 | | 公開日 | 2012-04-11 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors.
Acta Crystallogr.,Sect.F, 68, 2012
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6TBM
 | | Structure of SAGA bound to TBP, including Spt8 and DUB | | 分子名称: | Polyubiquitin-B, SAGA-associated factor 11, Spt20, ... | | 著者 | Papai, G, Frechard, A, Kolesnikova, O, Crucifix, C, Schultz, P, Ben-Shem, A. | | 登録日 | 2019-11-01 | | 公開日 | 2020-02-12 | | 最終更新日 | 2021-06-30 | | 実験手法 | ELECTRON MICROSCOPY (20 Å) | | 主引用文献 | Structure of SAGA and mechanism of TBP deposition on gene promoters.
Nature, 577, 2020
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6TER
 | | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with Galactose | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | | 登録日 | 2019-11-12 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Cell Chem Biol, 27, 2020
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1CAW
 | | DETERMINATION OF THREE CRYSTAL STRUCTURES OF CANAVALIN BY MOLECULAR REPLACEMENT | | 分子名称: | CANAVALIN | | 著者 | Ko, T-P, Ng, J.D, Day, J, Greenwood, A, McPherson, A. | | 登録日 | 1993-06-02 | | 公開日 | 1993-10-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Determination of three crystal structures of canavalin by molecular replacement.
Acta Crystallogr.,Sect.D, 49, 1993
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4CRF
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | 分子名称: | CHLORIDE ION, Coagulation factor XIa light chain, GLYCEROL, ... | | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | 登録日 | 2014-02-26 | | 公開日 | 2015-02-11 | | 最終更新日 | 2022-05-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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