4AQJ
 
 | | Structure of human S100A7 D24G bound to zinc and calcium | | 分子名称: | CALCIUM ION, CHLORIDE ION, PROTEIN S100-A7, ... | | 著者 | Murray, J.I, Tonkin, M.L, Whiting, A.L, Peng, F, Farnell, B, Hof, F, Boulanger, M.J. | | 登録日 | 2012-04-17 | | 公開日 | 2012-10-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural Characterization of S100A15 Reveals a Novel Zinc Coordination Site Among S100 Proteins and Altered Surface Chemistry with Functional Implications for Receptor Binding.
Bmc Struct.Biol., 12, 2012
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5T7M
 | | LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-TRP | | 分子名称: | ACETATE ION, Chemotaxis protein, SODIUM ION, ... | | 著者 | Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T. | | 登録日 | 2016-09-05 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
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4NRC
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with compound-3 N01186 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide, ... | | 著者 | Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2013-11-26 | | 公開日 | 2013-12-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
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4NYW
 | | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand | | 分子名称: | (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ... | | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Rooney, T.P.C, Fedorov, O, Martin, S, Monteiro, O.P, Conway, S.J, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2013-12-11 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
TO BE PUBLISHED
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5VYK
 | | Crystal structure of the BRS domain of BRAF in complex with the CC-SAM domain of KSR1 | | 分子名称: | Chimera protein of BRS domain of BRAF and CC-SAM domain of KSR1,Serine/threonine-protein kinase B-raf, GLYCEROL | | 著者 | Maisonneuve, P, Kurinov, I, Marullo, S.A, Lavoie, H, Thevakumaran, N, Sahmi, M, Jin, T, Therrien, M, SIcheri, F. | | 登録日 | 2017-05-25 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.749 Å) | | 主引用文献 | MEK drives BRAF activation through allosteric control of KSR proteins.
Nature, 554, 2018
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4NCS
 | | Human sialidase 2 in complex with 2,3-difluorosialic acid (covalent intermediate) | | 分子名称: | (2S,3S,4R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-4-oxidanyl-6-[(1S,2S)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, PHOSPHATE ION, Sialidase-2 | | 著者 | Buchini, S, Gallat, F.-X, Greig, I.R, Kim, J.-H, Wakatsuki, S, Chavas, L.M.G, Withers, S.G. | | 登録日 | 2013-10-25 | | 公開日 | 2013-12-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | | 主引用文献 | Tuning mechanism-based inactivators of neuraminidases: mechanistic and structural insights.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4MBR
 | | 3.65 Angstrom Crystal Structure of Serine-rich Repeat Protein (Srr2) from Streptococcus agalactiae | | 分子名称: | Serine-rich repeat protein 2 | | 著者 | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Seo, H.S, Seepersaud, R, Doran, K.S, Iverson, T.M, Sullam, P.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2013-08-19 | | 公開日 | 2013-11-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.65 Å) | | 主引用文献 | Characterization of Fibrinogen Binding by Glycoproteins Srr1 and Srr2 of Streptococcus agalactiae.
J.Biol.Chem., 288, 2013
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5VYB
 | | Structure of the carbohydrate recognition domain of Dectin-2 complexed with a mammalian-type high mannose Man9GlcNAc2 oligosaccharide | | 分子名称: | C-type lectin domain family 6 member A, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Feinberg, H, Jegouzo, S.A.F, Rex, M.J, Drickamer, K, Taylor, M.E, Weis, W.I. | | 登録日 | 2017-05-24 | | 公開日 | 2017-07-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Mechanism of pathogen recognition by human dectin-2.
J. Biol. Chem., 292, 2017
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4CAV
 | | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a benzofuran ligand R0-09-4879 | | 分子名称: | 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine, CHLORIDE ION, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | | 著者 | Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F. | | 登録日 | 2013-10-09 | | 公開日 | 2014-09-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
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4BVV
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | 分子名称: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION | | 著者 | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | 登録日 | 2013-06-28 | | 公開日 | 2014-07-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
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5TKW
 | | 1.35 Angstrom Resolution Crystal Structure of a Pullulanase-specific Type II Secretion System Integral Cytoplasmic Membrane Protein GspL (N-terminal fragment; residues 1-237) from Klebsiella pneumoniae. | | 分子名称: | FORMIC ACID, Type II secretion system protein L | | 著者 | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2016-10-09 | | 公開日 | 2016-10-19 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | 1.35 Angstrom Resolution Crystal Structure of a Pullulanase-specific Type II Secretion System Integral Cytoplasmic Membrane Protein GspL (N-terminal fragment; residues 1-237) from Klebsiella pneumoniae.
To Be Published
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5TNO
 | | Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, SODIUM ION, ... | | 著者 | Sakurada, I, Endo, T, Hikita, K, Hirabayashi, T, Hosaka, Y, Kato, Y, Maeda, Y, Matsumoto, S, Mizuno, T, Nagasue, H, Nishimura, T, Shimada, S, Shinozaki, M, Taguchi, K, Takeuchi, K, Yokoyama, T, Hruza, A, Reichert, P, Zhang, T, Wood, H.B, Nakao, K, Furusako, S. | | 登録日 | 2016-10-14 | | 公開日 | 2017-04-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5TNT
 | | Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, N-[(1S,4S,7R)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide, ... | | 著者 | Sakurada, I, Endo, T, Hikita, K, Hirabayashi, T, Hosaka, Y, Kato, Y, Maeda, Y, Matsumoto, S, Mizuno, T, Nagasue, A, Nishimura, T, Shimada, S, Shinozaki, M, Taguchi, K, Takeuchi, K, Yokoyama, T, Hruza, A, Reichert, P, Zhang, T, Wood, H.B, Nakao, K, Furusako, S. | | 登録日 | 2016-10-14 | | 公開日 | 2017-04-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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3R92
 | | Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model. | | 分子名称: | (3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide, Heat shock protein HSP 90-alpha | | 著者 | Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E.M, Levin, J.I. | | 登録日 | 2011-03-24 | | 公開日 | 2011-06-08 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.5801 Å) | | 主引用文献 | Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 21, 2011
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5TMD
 | | Crystal structure of Os79 from O. sativa in complex with U2F and trichothecene. | | 分子名称: | Glycosyltransferase, Os79, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE, ... | | 著者 | Wetterhorn, K, Newmister, S.A, Caniza, R.K, Busman, M, McCormick, S.P, Berthiller, F, Adam, G, Rayment, I. | | 登録日 | 2016-10-12 | | 公開日 | 2016-11-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Crystal Structure of Os79 (Os04g0206600) from Oryza sativa: A UDP-glucosyltransferase Involved in the Detoxification of Deoxynivalenol.
Biochemistry, 55, 2016
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4LZF
 | | A novel domain in the microcephaly protein CPAP suggests a role in centriole architecture | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Centrosomal P4.1-associated protein, SCL-interrupting locus protein homolog, ... | | 著者 | Hatzopoulos, G.N, Erat, M.C, Cutts, E, Rogala, K, Slatter, L, Stansfeld, P.J, Vakonakis, I. | | 登録日 | 2013-07-31 | | 公開日 | 2013-09-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Structural analysis of the G-box domain of the microcephaly protein CPAP suggests a role in centriole architecture.
Structure, 21, 2013
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4EWA
 | | Study on structure and function relationships in human Pirin with Fe ion | | 分子名称: | FE (III) ION, Pirin | | 著者 | Liu, F, Rehmani, I, Chen, L, Fu, R, Serrano, V, Wilson, D.W, Liu, A. | | 登録日 | 2012-04-26 | | 公開日 | 2013-05-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Pirin is an iron-dependent redox regulator of NF-kappa B.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3RFM
 | | Thermostabilised adenosine A2A receptor in complex with caffeine | | 分子名称: | Adenosine receptor A2a, CAFFEINE | | 著者 | Dore, A.S, Robertson, N, Errey, J.C, Ng, I, Hollenstein, K, Tehan, B, Hurrell, E, Bennett, K, Congreve, M, Magnani, F, Tate, C.G, Weir, M, Marshall, F.H. | | 登録日 | 2011-04-06 | | 公開日 | 2011-09-07 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.598 Å) | | 主引用文献 | Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine
Structure, 19, 2011
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4AN3
 | | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, ... | | 著者 | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | | 登録日 | 2012-03-15 | | 公開日 | 2012-12-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
Acs Med.Chem.Lett., 3, 2012
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5W3Q
 | | L28F E.coli DHFR in complex with NADPH | | 分子名称: | CALCIUM ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Oyen, D, Wright, P.E, Wilson, I.A. | | 登録日 | 2017-06-08 | | 公開日 | 2017-08-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.401 Å) | | 主引用文献 | Defining the Structural Basis for Allosteric Product Release from E. coli Dihydrofolate Reductase Using NMR Relaxation Dispersion.
J. Am. Chem. Soc., 139, 2017
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4ETE
 | | Lysozyme, room-temperature, rotating anode, 0.0021 MGy | | 分子名称: | CHLORIDE ION, Lysozyme C | | 著者 | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | 登録日 | 2012-04-24 | | 公開日 | 2012-06-13 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | | 主引用文献 | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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4NCQ
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4EUY
 | | Crystal structure of thioredoxin-like protein BCE_0499 from Bacillus cereus ATCC 10987 | | 分子名称: | Uncharacterized protein | | 著者 | Shabalin, I.G, Kagan, O, Chruszcz, M, Grabowski, M, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2012-04-25 | | 公開日 | 2012-05-16 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of thioredoxin-like protein BCE_0499 from
Bacillus cereus
To be Published
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4NX9
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4F0G
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