3WC5
 
 | | Carboxypeptidase B in complex with DD9 | | 分子名称: | (2R)-7-amino-2-(selanylmethyl)heptanoic acid, CACODYLATE ION, Carboxypeptidase B, ... | | 著者 | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | | 登録日 | 2013-05-24 | | 公開日 | 2013-10-02 | | 最終更新日 | 2022-08-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
J.Med.Chem., 56, 2013
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3WQ9
 | | Crystal structure of Hsp90-alpha N-terminal domain in complex with 2-(4-Hydroxy-cyclohexylamino)-4-[5-(4-phenyl-imidazol-1-yl)-isoquinolin-1-yl]-benzamide | | 分子名称: | 2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1H-imidazol-1-yl)isoquinolin-1-yl]benzamide, Heat shock protein HSP 90-alpha | | 著者 | Chong, K.T, Yamashita, S, Oshiumi, H, Uno, T, Kitade, M. | | 登録日 | 2014-01-23 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Evolution of highly selective Hsp90 / inhibitors by structure and thermodynamics guided design
To be Published
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3ZPC
 | | Acinetobacter baumannii RibD, form 1 | | 分子名称: | ACETATE ION, PHOSPHATE ION, RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBD, ... | | 著者 | Dawson, A, Trumper, P, Chrysostomou, G, Hunter, W.N. | | 登録日 | 2013-02-27 | | 公開日 | 2013-03-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of Diaminohydroxyphosphoribosylaminopyrimidine Deaminase/5-Amino-6-(5-Phosphoribosylamino)Uracil Reductase from Acinetobacter Baumannii.
Acta Crystallogr.,Sect.F, 69, 2013
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3UWV
 | | Crystal structure of Staphylococcus Aureus triosephosphate isomerase complexed with 2-phosphoglyceric acid | | 分子名称: | 2-PHOSPHOGLYCERIC ACID, SODIUM ION, Triosephosphate isomerase | | 著者 | Mukherjee, S, Roychowdhury, A, Dutta, D, Das, A.K. | | 登録日 | 2011-12-03 | | 公開日 | 2012-10-17 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Crystal structures of triosephosphate isomerase from methicillin resistant Staphylococcus aureus MRSA252 provide structural insights into novel modes of ligand binding and unique conformations of catalytic loop
Biochimie, 94, 2012
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3UDM
 | | Crystal Structure of BACE with Compound 8 | | 分子名称: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | 登録日 | 2011-10-28 | | 公開日 | 2012-04-18 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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3UFY
 | | AKR1C3 complex with R-naproxen | | 分子名称: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... | | 著者 | Squire, C.J, Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M. | | 登録日 | 2011-11-01 | | 公開日 | 2012-08-15 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
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3UC8
 | | Trp-cage cyclo-TC1 - tetragonal crystal form | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, cyclo-TC1 | | 著者 | Scian, M, Le Trong, I, Stenkamp, R.E, Andersen, N.H. | | 登録日 | 2011-10-26 | | 公開日 | 2012-07-18 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UWZ
 | | Crystal structure of Staphylococcus aureus triosephosphate isomerase complexed with glycerol-2-phosphate | | 分子名称: | 2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE, PHOSPHATE ION, Triosephosphate isomerase | | 著者 | Mukherjee, S, Roychowdhury, A, Dutta, D, Das, A.K. | | 登録日 | 2011-12-03 | | 公開日 | 2012-10-17 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structures of triosephosphate isomerase from methicillin resistant Staphylococcus aureus MRSA252 provide structural insights into novel modes of ligand binding and unique conformations of catalytic loop
Biochimie, 94, 2012
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3ZPG
 | | Acinetobacter baumannii RibD, form 2 | | 分子名称: | ACETATE ION, CACODYLATE ION, CHLORIDE ION, ... | | 著者 | Dawson, A, Trumper, P, Chrysostomou, G, Hunter, W.N. | | 登録日 | 2013-02-27 | | 公開日 | 2013-03-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structure of Diaminohydroxyphosphoribosylaminopyrimidine Deaminase/5-Amino-6-(5-Phosphoribosylamino)Uracil Reductase from Acinetobacter Baumannii.
Acta Crystallogr.,Sect.F, 69, 2013
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3ZS7
 | | Crystal structure of pyridoxal kinase from Trypanosoma brucei | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, PYRIDOXAL KINASE | | 著者 | Alphey, M.S, Jones, D.C, Fairlamb, A.H. | | 登録日 | 2011-06-23 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Chemical, Genetic and Structural Assessment of Pyridoxal Kinase as a Drug Target in the African Trypanosome.
Mol.Microbiol., 86, 2012
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3ZZJ
 | | Structure of an engineered aspartate aminotransferase | | 分子名称: | ASPARTATE AMINOTRANSFERASE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Fernandez, F.J, deVries, D, Pena-Soler, E, Coll, M, Christen, P, Gehring, H, Vega, M.C. | | 登録日 | 2011-09-01 | | 公開日 | 2011-12-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure and Mechanism of a Cysteine Sulfinate Desulfinase Engineered on the Aspartate Aminotransferase Scaffold.
Biocim.Biophys.Acta, 1824, 2011
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3ZPH
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3V1U
 | | Crystal structure of a beta-ketoacyl reductase FabG4 from Mycobacterium tuberculosis H37Rv complexed with NAD+ and Hexanoyl-CoA at 2.5 Angstrom resolution | | 分子名称: | (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL, 3-oxoacyl-(Acyl-carrier-protein) reductase, HEXANOYL-COENZYME A, ... | | 著者 | Dutta, D, Bhattacharyya, S, Das, A.K. | | 登録日 | 2011-12-10 | | 公開日 | 2012-11-28 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of hexanoyl-CoA bound to beta-ketoacyl reductase FabG4 of Mycobacterium tuberculosis
Biochem.J., 450, 2013
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3UUL
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3UWU
 | | Crystal structure of Staphylococcus Aureus triosephosphate isomerase complexed with glycerol-3-phosphate | | 分子名称: | CITRIC ACID, SN-GLYCEROL-3-PHOSPHATE, Triosephosphate isomerase | | 著者 | Mukherjee, S, Roychowdhury, A, Dutta, D, Das, A.K. | | 登録日 | 2011-12-03 | | 公開日 | 2012-10-17 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal structures of triosephosphate isomerase from methicillin resistant Staphylococcus aureus MRSA252 provide structural insights into novel modes of ligand binding and unique conformations of catalytic loop
Biochimie, 94, 2012
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1PYU
 | | Processed Aspartate Decarboxylase Mutant with Ser25 mutated to Cys | | 分子名称: | Aspartate 1-decarboxylase alfa chain, Aspartate 1-decarboxylase beta chain, SULFATE ION | | 著者 | Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L. | | 登録日 | 2003-07-09 | | 公開日 | 2003-11-18 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
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3ZWQ
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3ZLK
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | 分子名称: | CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-AMINO-1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)BENZENESULFONAMIDE | | 著者 | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | | 登録日 | 2013-02-01 | | 公開日 | 2013-02-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.952 Å) | | 主引用文献 | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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3ZDE
 | | Potassium free structure of E. coli ExoIX | | 分子名称: | PROTEIN XNI | | 著者 | Hemsworth, G.R, Anstey-Gilbert, C.S, Flemming, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J. | | 登録日 | 2012-11-26 | | 公開日 | 2013-07-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases
Nucleic Acids Res., 41, 2013
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3ZU4
 | | Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH and the 2-pyridone inhibitor PT172 | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-(2-CHLOROBENZYL)-4-HEXYLPYRIDIN-2(1H)-ONE, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, ... | | 著者 | Hirschbeck, M.W, Kuper, J, Tonge, P.J, Kisker, C. | | 登録日 | 2011-07-13 | | 公開日 | 2012-01-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012
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3WZJ
 | | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide | | 分子名称: | 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide, Dual specificity protein kinase TTK | | 著者 | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | | 登録日 | 2014-09-29 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
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4A41
 | | CpGH89CBM32-5, from Clostridium perfringens, in complex with galactose | | 分子名称: | ALPHA-N-ACETYLGLUCOSAMINIDASE FAMILY PROTEIN, CALCIUM ION, SODIUM ION, ... | | 著者 | Ficko-Blean, E, Stuart, C.P, Suits, M.D, Cid, M, Tessier, M, Woods, R.J, Boraston, A.B. | | 登録日 | 2011-10-06 | | 公開日 | 2012-04-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Carbohydrate Recognition by an Architecturally Complex Alpha-N-Acetylglucosaminidase from Clostridium Perfringens.
Plos One, 7, 2012
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4AD4
 | | Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with glucose-1,3-isofagomine and alpha-1,2- mannobiose | | 分子名称: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose, ... | | 著者 | Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J. | | 登録日 | 2011-12-21 | | 公開日 | 2012-02-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4AL2
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3UUN
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