3CHB
 
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3PSC
 | | Bovine GRK2 in complex with Gbetagamma subunits | | 分子名称: | Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | | 著者 | Thal, D.M, Tesmer, J.J. | | 登録日 | 2010-12-01 | | 公開日 | 2011-06-01 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Molecular Mechanism of Selectivity among G Protein-Coupled Receptor Kinase 2 Inhibitors.
Mol.Pharmacol., 80, 2011
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2H8I
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2H9I
 | | Mycobacterium tuberculosis InhA bound with ETH-NAD adduct | | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADH], {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-ETHYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}METHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | 著者 | Wang, F, Sacchettini, J.C. | | 登録日 | 2006-06-09 | | 公開日 | 2007-01-30 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Mechanism of thioamide drug action against tuberculosis and leprosy.
J.Exp.Med., 204, 2007
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2AA0
 | | Crystal structure of T. gondii adenosine kinase complexed with 6-methylmercaptopurine riboside | | 分子名称: | 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL, ACETATE ION, CHLORIDE ION, ... | | 著者 | Zhang, Y, el Kouni, M.H, Ealick, S.E. | | 登録日 | 2005-07-13 | | 公開日 | 2006-07-25 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Substrate analogs induce an intermediate conformational change in Toxoplasma gondii adenosine kinase
Acta Crystallogr.,Sect.D, 63, 2007
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2ABE
 | | Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with L-histidine as a platform for the design of stronger activators | | 分子名称: | Carbonic anhydrase II, HISTIDINE, MERCURY (II) ION, ... | | 著者 | Temperini, C, Scozzafava, A, Puccetti, L, Supuran, C.T. | | 登録日 | 2005-07-15 | | 公開日 | 2005-10-25 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with l-histidine as a platform for the design of stronger activators.
Bioorg.Med.Chem.Lett., 15, 2005
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2GNB
 | | EDTA-treated (2 weeks) P. angolensis lectin | | 分子名称: | alpha-D-mannopyranose, lectin | | 著者 | Garcia-Pino, A, Buts, L, Wyns, L, Loris, R. | | 登録日 | 2006-04-09 | | 公開日 | 2006-07-25 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Interplay Between Metal Binding and cis/trans Isomerization in Legume Lectins: Structural and Thermodynamic Study of P. angolensis Lectin.
J.Mol.Biol., 361, 2006
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2AB8
 | | Crystal structure of T. gondii adenosine kinase complexed with 6-methylmercaptopurine riboside and AMP-PCP | | 分子名称: | 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL, CHLORIDE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | 著者 | Zhang, Y, el Kouni, M.H, Ealick, S.E. | | 登録日 | 2005-07-14 | | 公開日 | 2006-07-25 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Substrate analogs induce an intermediate conformational change in Toxoplasma gondii adenosine kinase
Acta Crystallogr.,Sect.D, 63, 2007
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2HHU
 | | C:O6-methyl-guanine in the polymerase postinsertion site (-1 basepair position) | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*GP*CP*GP*AP*TP*CP*AP*GP*CP*CP*C)-3', 5'-D(*GP*TP*AP*CP*(6OG)P*GP*GP*CP*TP*GP*AP*TP*CP*GP*CP*A)-3', ... | | 著者 | Warren, J.J, Forsberg, L.J, Beese, L.S. | | 登録日 | 2006-06-28 | | 公開日 | 2006-12-12 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The structural basis for the mutagenicity of O6-methyl-guanine lesions.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2A7Q
 | | Crystal structure of human dCK complexed with clofarabine and ADP | | 分子名称: | 2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, ... | | 著者 | Zhang, Y, Secrist III, J.A, Ealick, S.E. | | 登録日 | 2005-07-05 | | 公開日 | 2006-01-24 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | The structure of human deoxycytidine kinase in complex with clofarabine reveals key interactions for prodrug activation.
Acta Crystallogr.,Sect.D, 62, 2006
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3ACL
 | | Crystal Structure of Human Pirin in complex with Triphenyl Compound | | 分子名称: | FE (II) ION, N-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide, Pirin | | 著者 | Okumura, H, Miyazaki, I, Simizu, S, Osada, H. | | 登録日 | 2010-01-05 | | 公開日 | 2010-08-18 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | A small-molecule inhibitor shows that pirin regulates migration of melanoma cells
Nat.Chem.Biol., 6, 2010
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2HGC
 | | Solution NMR structure of the YjcQ protein from Bacillus subtilis. Northeast Structural Genomics target SR346. | | 分子名称: | YjcQ protein | | 著者 | Rossi, P, Cort, J.R, Ho, C.K, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2006-06-26 | | 公開日 | 2006-08-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution NMR structure of the YjcQ protein from Bacillus subtilis. Northeast Structural Genomics target SR346. (CASP Target)
To be Published
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2HRQ
 | | Crystal structure of Human Liver Carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Soman (GD) | | 分子名称: | (1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Liver carboxylesterase 1, ... | | 著者 | Fleming, C.D, Redinbo, M.R. | | 登録日 | 2006-07-20 | | 公開日 | 2007-05-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal Structures of Human Carboxylesterase 1 in Covalent Complexes with the Chemical Warfare Agents Soman and Tabun.
Biochemistry, 46, 2007
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1Y5R
 | | The crystal structure of murine 11b-hydroxysteroid dehydrogenase complexed with corticosterone | | 分子名称: | CORTICOSTERONE, Corticosteroid 11-beta-dehydrogenase, isozyme 1, ... | | 著者 | Zhang, J, Osslund, T.D, Plant, M.H, Clogston, C.L, Nybo, R.E, Xiong, F, Delaney, J.M, Jordan, S. | | 登録日 | 2004-12-02 | | 公開日 | 2005-05-17 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal Structure of Murine 11-Hydroxysteroid Dehydrogenase 1: An Important Therapeutic Target for Diabetes
Biochemistry, 44, 2005
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2HHV
 | | T:O6-methyl-guanine in the polymerase-2 basepair position | | 分子名称: | 5'-D(*GP*CP*GP*AP*TP*CP*AP*GP*CP*TP*TP*G)-3', 5'-D(*GP*TP*AP*CP*(6OG)P*AP*GP*CP*TP*GP*AP*TP*CP*GP*CP*A)-3', DNA Polymerase I, ... | | 著者 | Warren, J.J, Forsberg, L.J, Beese, L.S. | | 登録日 | 2006-06-28 | | 公開日 | 2006-12-12 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | The structural basis for the mutagenicity of O6-methyl-guanine lesions.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1Y5M
 | | The crystal structure of murine 11b-hydroxysteroid dehydrogenase: an important therapeutic target for diabetes | | 分子名称: | Corticosteroid 11-beta-dehydrogenase, isozyme 1, N-OCTANE, ... | | 著者 | Zhang, J, Osslund, T.D, Plant, M.H, Clogston, C.L, Nybo, R.E, Xiong, F, Delaney, J.M, Jordan, S.R. | | 登録日 | 2004-12-02 | | 公開日 | 2005-05-17 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structure of Murine 11-Hydroxysteroid Dehydrogenase 1: An Important Therapeutic Target for Diabetes
Biochemistry, 44, 2005
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3CSF
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3CEM
 | | Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE9423 | | 分子名称: | 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Glycogen phosphorylase, liver form, ... | | 著者 | Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D. | | 登録日 | 2008-02-29 | | 公開日 | 2008-05-27 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors.
Biochemistry, 47, 2008
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3CHO
 | | Crystal structure of leukotriene a4 hydrolase in complex with 2-amino-N-[4-(phenylmethoxy)phenyl]-acetamide | | 分子名称: | ACETATE ION, Leukotriene A-4 hydrolase, N-[4-(benzyloxy)phenyl]glycinamide, ... | | 著者 | Thunnissen, M.M.G.M, Adler, M, Whitlow, M. | | 登録日 | 2008-03-10 | | 公開日 | 2008-04-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
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3CIK
 | | Human GRK2 in Complex with Gbetagamma subunits | | 分子名称: | Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Tesmer, J.J.G, Lodowski, D.T. | | 登録日 | 2008-03-11 | | 公開日 | 2009-02-17 | | 最終更新日 | 2012-03-07 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structure of human G protein-coupled receptor kinase 2 in complex with the kinase inhibitor balanol.
J.Med.Chem., 53, 2010
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1YC6
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3CEH
 | | Human liver glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE5688 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid, Glycogen phosphorylase, ... | | 著者 | Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D. | | 登録日 | 2008-02-29 | | 公開日 | 2008-05-27 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors.
Biochemistry, 47, 2008
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2L64
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2ANL
 | | X-ray crystal structure of the aspartic protease plasmepsin 4 from the malarial parasite plasmodium malariae bound to an allophenylnorstatine based inhibitor | | 分子名称: | (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide, plasmepsin IV | | 著者 | Clemente, J.C, Govindasamy, L, Madabushi, A, Fisher, S.Z, Moose, R.E, Yowell, C.A, Hidaka, K, Kimura, T, Hayashi, Y, Kiso, Y, Agbandje-McKenna, M, Dame, J.B, Dunn, B.M, McKenna, R. | | 登録日 | 2005-08-11 | | 公開日 | 2006-04-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structure of the aspartic protease plasmepsin 4 from the malarial parasite Plasmodium malariae bound to an allophenylnorstatine-based inhibitor.
Acta Crystallogr.,Sect.D, 62, 2006
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3ABM
 | | Bovine heart cytochrome c oxidase at the fully oxidized state (200-s X-ray exposure dataset) | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | 著者 | Aoyama, H, Muramoto, K, Shinzawa-Itoh, K, Yamashita, E, Tsukihara, T, Ogura, T, Yoshikawa, S. | | 登録日 | 2009-12-16 | | 公開日 | 2010-01-19 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | A peroxide bridge between Fe and Cu ions in the O2 reduction site of fully oxidized cytochrome c oxidase could suppress the proton pump
Proc.Natl.Acad.Sci.USA, 106, 2009
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