2Y7Z
| Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | 分子名称: | 6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | 登録日 | 2011-02-02 | 公開日 | 2011-03-16 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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2J94
| CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | 分子名称: | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X | 著者 | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | 登録日 | 2006-11-02 | 公開日 | 2007-03-20 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides. J.Med.Chem., 50, 2007
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2Y82
| Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | 分子名称: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | 登録日 | 2011-02-02 | 公開日 | 2011-03-16 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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2Y81
| Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | 分子名称: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | 登録日 | 2011-02-02 | 公開日 | 2011-03-16 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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2Y80
| Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | 分子名称: | 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | 登録日 | 2011-02-02 | 公開日 | 2011-03-16 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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2WYG
| Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | 分子名称: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | 著者 | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | 登録日 | 2009-11-16 | 公開日 | 2010-12-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs Bioorg.Med.Chem.Lett., 20, 2010
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2WYJ
| Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | 分子名称: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | 著者 | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | 登録日 | 2009-11-16 | 公開日 | 2010-12-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs Bioorg.Med.Chem.Lett., 20, 2010
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2QHC
| The Influence of I47A Mutation on Reduced Susceptibility to the Protease Inhibitor Lopinavir | 分子名称: | BETA-MERCAPTOETHANOL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN | 著者 | Brynda, J, Saskova, K.G, Kozisek, M, Lepsik, M, Machala, L, Konvalinka, J. | 登録日 | 2007-07-02 | 公開日 | 2008-07-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.802 Å) | 主引用文献 | Enzymatic and structural analysis of the I47A mutation contributing to the reduced susceptibility to HIV protease inhibitor lopinavir. Protein Sci., 17, 2008
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2Y6L
| Xylopentaose binding X-2 engineered mutated CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | 分子名称: | CALCIUM ION, XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | 著者 | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | 登録日 | 2011-01-24 | 公開日 | 2012-03-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules. Glycobiology, 22, 2012
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1TZY
| Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution | 分子名称: | CHLORIDE ION, HISTONE H3, HISTONE H4-VI, ... | 著者 | Wood, C.M, Nicholson, J.M, Chantalat, L, Reynolds, C.D, Lambert, S.J, Baldwin, J.P. | 登録日 | 2004-07-12 | 公開日 | 2004-08-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | High-resolution structure of the native histone octamer. Acta Crystallogr.,Sect.F, 61, 2005
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1IZH
| Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants | 分子名称: | proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | 著者 | Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J. | 登録日 | 2002-10-02 | 公開日 | 2002-12-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains J.MOL.BIOL., 324, 2002
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1IZI
| Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants | 分子名称: | CHLORIDE ION, proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | 著者 | Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J. | 登録日 | 2002-10-02 | 公開日 | 2002-12-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains J.MOL.BIOL., 324, 2002
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2Y3I
| The structure of the fully closed conformation of human PGK in complex with L-ADP, 3PG and the TSA aluminium tetrafluoride | 分子名称: | 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, L-ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Bowler, M.W, Chaloin, L, Lionne, C. | 登録日 | 2010-12-21 | 公開日 | 2011-04-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Interaction of Human 3-Phosphoglycerate Kinase with its Two Substrates: Is Substrate Antagonism a Kinetic Advantage? J.Mol.Biol., 409, 2011
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2YBE
| The structure of the fully closed conformation of human PGK in complex with L-ADP, 3PG and the TSA aluminium tetrafluoride at 2.0 A resolution | 分子名称: | 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, L-ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Bowler, M.W, Chaloin, L, Lionne, C. | 登録日 | 2011-03-07 | 公開日 | 2011-04-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Interaction of Human 3-Phosphoglycerate Kinase with its Two Substrates: Is Substrate Antagonism a Kinetic Advantage? J.Mol.Biol., 409, 2011
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1S62
| Solution structure of the Escherichia coli TolA C-terminal domain | 分子名称: | TolA protein | 著者 | Deprez, C, Blanchard, L, Simorre, J.-P, Gavioli, M, Guerlesquin, F, Lazdunski, C, Lloubes, R, Marion, D. | 登録日 | 2004-01-22 | 公開日 | 2005-02-15 | 最終更新日 | 2022-03-02 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the E.coli TolA C-terminal domain reveals conformational changes upon binding to the phage g3p N-terminal domain. J.Mol.Biol., 346, 2005
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2Y6J
| X-2 engineered mutated CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | 分子名称: | CALCIUM ION, XYLANASE | 著者 | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | 登録日 | 2011-01-24 | 公開日 | 2012-03-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules. Glycobiology, 22, 2012
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2ZGV
| Crystal Structure of human phosphoglycerate kinase bound to D-ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Phosphoglycerate kinase 1 | 著者 | Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L. | 登録日 | 2008-01-26 | 公開日 | 2008-07-01 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase Nucleic Acids Res., 36, 2008
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2Z54
| The Influence of I47A Mutation on Reduced Susceptibility to the Protease Inhibitor Lopinavir | 分子名称: | BETA-MERCAPTOETHANOL, HIV-1 Protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE | 著者 | Brynda, J, Klara, S, Kozisek, M, Lepsik, M, Machala, L, Konvalinka, J. | 登録日 | 2007-06-28 | 公開日 | 2008-07-01 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Enzymatic and structural analysis of the I47A mutation contributing to the reduced susceptibility to HIV protease inhibitor lopinavir. Protein Sci., 17, 2008
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2Y6K
| Xylotetraose bound to X-2 engineered mutated CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | 分子名称: | CALCIUM ION, CITRIC ACID, XYLANASE, ... | 著者 | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | 登録日 | 2011-01-24 | 公開日 | 2012-03-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules. Glycobiology, 22, 2012
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2Y6G
| Cellopentaose binding mutated (X-2 L110F) CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | 分子名称: | CALCIUM ION, XYLANASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | 著者 | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | 登録日 | 2011-01-21 | 公開日 | 2012-03-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules. Glycobiology, 22, 2012
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1IGN
| DNA-BINDING DOMAIN OF RAP1 IN COMPLEX WITH TELOMERIC DNA SITE | 分子名称: | DNA (5'-D(*CP*CP*GP*CP*AP*CP*AP*CP*CP*CP*AP*CP*AP*CP*AP*CP*C P*AP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*GP*TP*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*G P*CP*G)-3'), PROTEIN (RAP1) | 著者 | Koenig, P, Giraldo, R, Chapman, L, Rhodes, D. | 登録日 | 1996-02-29 | 公開日 | 1997-01-27 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | The crystal structure of the DNA-binding domain of yeast RAP1 in complex with telomeric DNA. Cell(Cambridge,Mass.), 85, 1996
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1Y08
| Structure of the Streptococcal Endopeptidase IdeS, a Novel Cysteine Proteinase with Strict Specificity for IgG | 分子名称: | SULFATE ION, hypothetical protein SPy0861 | 著者 | Wenig, K, Chatwell, L, von Pawel-Rammingen, U, Bjoerck, L, Huber, R, Sondermann, P. | 登録日 | 2004-11-15 | 公開日 | 2004-12-21 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Structure of the streptococcal endopeptidase IdeS, a cysteine proteinase with strict specificity for IgG Proc.Natl.Acad.Sci.Usa, 101, 2004
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2Y6H
| X-2 L110F CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | 分子名称: | CALCIUM ION, XYLANASE | 著者 | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | 登録日 | 2011-01-21 | 公開日 | 2012-03-07 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules. Glycobiology, 22, 2012
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1EEH
| UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | 分子名称: | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE | 著者 | Bertrand, J.A, Fanchon, E, Martin, L, Chantalat, L, Auger, G, Blanot, D, van Heijenoort, J, Dideberg, O. | 登録日 | 2000-01-31 | 公開日 | 2001-01-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | "Open" structures of MurD: domain movements and structural similarities with folylpolyglutamate synthetase. J.Mol.Biol., 301, 2000
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3C39
| Crystal Structure of human phosphoglycerate kinase bound to 3-phosphoglycerate | 分子名称: | 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1 | 著者 | Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L. | 登録日 | 2008-01-28 | 公開日 | 2008-07-01 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase Nucleic Acids Res., 36, 2008
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