1M4A
| Crystal Structure of Human Interleukin-2 Y31C Covalently Modified at C31 with (1H-Indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid | 分子名称: | (1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-ACETIC ACID, GLYCEROL, interleukin-2 | 著者 | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | 登録日 | 2002-07-02 | 公開日 | 2002-07-31 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Binding of small molecules to an adaptive
protein-protein interface Proc.Natl.Acad.Sci.USA, 100, 2003
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1M49
| Crystal Structure of Human Interleukin-2 Complexed with SP-1985 | 分子名称: | 2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER, interleukin-2 | 著者 | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | 登録日 | 2002-07-02 | 公開日 | 2002-07-31 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Binding of small molecules to an adaptive
protein-protein interface Proc.Natl.Acad.Sci.USA, 100, 2003
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8ELZ
| HRAS R97M Crystal Form 1 | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ... | 著者 | Johnson, C.W, Mattos, C. | 登録日 | 2022-09-26 | 公開日 | 2023-09-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.961 Å) | 主引用文献 | Allosteric site variants affect GTP hydrolysis on Ras. Protein Sci., 32, 2023
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4D92
| Salmonella typhimurium D-Cysteine desulfhydrase soaked with beta-chloro-D-alanine shows pyruvate bound 4 A away from active site | 分子名称: | BENZAMIDINE, D-cysteine desulfhydrase, PYRUVIC ACID, ... | 著者 | Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N. | 登録日 | 2012-01-11 | 公開日 | 2012-05-30 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase. Plos One, 7, 2012
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4CM3
| Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, ... | 著者 | Barrack, K.L, Hunter, W.N. | 登録日 | 2014-01-15 | 公開日 | 2015-01-21 | 最終更新日 | 2017-07-05 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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8EZT
| Crystal structure of HipB(Lp) from Legionella pneumophila | 分子名称: | CHLORIDE ION, HipB(Lp) | 著者 | Stogios, P.J, Skarina, T, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2022-11-01 | 公開日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Crystal structure of HipB(Lp) from Legionella pneumophila To Be Published
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8S9Q
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2ZB7
| Crystal structure of human 15-ketoprostaglandin delta-13-reductase in complex with NADPH and nicotinamide | 分子名称: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE, Prostaglandin reductase 2 | 著者 | Wu, Y.H, Wang, A.H.J, Ko, T.P, Guo, R.T, Hu, S.M, Chuang, L.M. | 登録日 | 2007-10-16 | 公開日 | 2008-09-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural basis for catalytic and inhibitory mechanisms of human prostaglandin reductase PTGR2. Structure, 16, 2008
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8SDD
| Crystal structure of fluoroacetate dehalogenase Daro3835 H274N mutant with D107-glycolyl intermediate | 分子名称: | Alpha/beta hydrolase fold protein | 著者 | Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A. | 登録日 | 2023-04-06 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases. Febs J., 290, 2023
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8EOY
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3O0K
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4D72
| Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A L19 mutant) | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, GLYCOSIDE HYDROLASE, ... | 著者 | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | 登録日 | 2014-11-19 | 公開日 | 2015-01-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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4CWO
| Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | 分子名称: | 5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | 登録日 | 2014-04-03 | 公開日 | 2014-07-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4D6F
| Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A, X01 mutant) | 分子名称: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | 登録日 | 2014-11-11 | 公開日 | 2014-11-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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8SV9
| Crystal structure of ULK1 kinase domain with inhibitor MR-2088 | 分子名称: | (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide, 1,2-ETHANEDIOL, SULFATE ION, ... | 著者 | Schonbrunn, E, Sun, L. | 登録日 | 2023-05-15 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Development of potent and selective ULK1/2 inhibitors based on 7-azaindole scaffold with favorable in vivo properties. Eur.J.Med.Chem., 266, 2024
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4D8T
| Crystal structure of D-Cysteine desulfhydrase from Salmonella typhimurium at 2.2 A resolution | 分子名称: | BENZAMIDINE, CHLORIDE ION, D-cysteine desulfhydrase, ... | 著者 | Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N. | 登録日 | 2012-01-11 | 公開日 | 2012-05-30 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase. Plos One, 7, 2012
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4D9F
| D-Cysteine desulfhydrase from Salmonella typhimurium complexed with D-cycloserine (DCS) | 分子名称: | BENZAMIDINE, D-Cysteine desulfhydrase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE | 著者 | Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N. | 登録日 | 2012-01-11 | 公開日 | 2012-05-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase. Plos One, 7, 2012
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4D5C
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4D6I
| Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A L19 mutant) | 分子名称: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | 登録日 | 2014-11-11 | 公開日 | 2014-11-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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4DT7
| Crystal structure of thrombin bound to the activation domain QEDQVDPRLIDGKMTRRGDS of protein C | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | 著者 | Pozzi, N, Barranco-Medina, S, Chen, Z, Di Cera, E. | 登録日 | 2012-02-20 | 公開日 | 2012-05-09 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Exposure of R169 controls protein C activation and autoactivation. Blood, 120, 2012
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4DHN
| Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | 著者 | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | 登録日 | 2012-01-30 | 公開日 | 2013-07-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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8EYP
| Joint X-ray/neutron structure of Salmonella typhimurium tryptophan synthase internal aldimine from microgravity-grown crystal | 分子名称: | SODIUM ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain | 著者 | Drago, V.N, Kovalevsky, A, Blakeley, M.P, Forsyth, V.T, Mueser, T.C. | 登録日 | 2022-10-28 | 公開日 | 2024-02-14 | 最終更新日 | 2024-05-08 | 実験手法 | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | 主引用文献 | Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase. Cell Rep Phys Sci, 5, 2024
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8EYS
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8EFZ
| Crystal structure of CcNikZ-II, apoprotein | 分子名称: | CHLORIDE ION, Extracellular solute-binding protein family 5 | 著者 | Stogios, P.J, Evdokimova, E, Diep, P, Yakunin, A, Mahadevan, K, Savchenko, A. | 登録日 | 2022-09-10 | 公開日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Crystal structure of CcNikZ-II, apoprotein To Be Published
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4M6M
| Crystal structure of anti-IL-23 antibody CNTO1959 at pH 9.5 | 分子名称: | CNTO1959 heavy chain, CNTO1959 light chain, DI(HYDROXYETHYL)ETHER, ... | 著者 | Teplyakov, A, Obmolova, G, Gilliland, G.L. | 登録日 | 2013-08-09 | 公開日 | 2014-03-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Antibody modeling assessment II. Structures and models. Proteins, 82, 2014
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