3OE1
 
 | | Pyruvate decarboxylase variant Glu473Asp from Z. mobilis in complex with reaction intermediate 2-lactyl-ThDP | | 分子名称: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Meyer, D, Neumann, P, Parthier, C, Tittmann, K. | | 登録日 | 2010-08-12 | | 公開日 | 2010-09-08 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.985 Å) | | 主引用文献 | Double duty for a conserved glutamate in pyruvate decarboxylase: evidence of the participation in stereoelectronically controlled decarboxylation and in protonation of the nascent carbanion/enamine intermediate .
Biochemistry, 49, 2010
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4FEE
 | | High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal B | | 分子名称: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K. | | 登録日 | 2012-05-30 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4FEG
 | | High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal A | | 分子名称: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K. | | 登録日 | 2012-05-30 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1CDK
 | | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT (E.C.2.7.1.37) (PROTEIN KINASE A) COMPLEXED WITH PROTEIN KINASE INHIBITOR PEPTIDE FRAGMENT 5-24 (PKI(5-24) ISOELECTRIC VARIANT CA) AND MN2+ ADENYLYL IMIDODIPHOSPHATE (MNAMP-PNP) AT PH 5.6 AND 7C AND 4C | | 分子名称: | CAMP-DEPENDENT PROTEIN KINASE, MANGANESE (II) ION, MYRISTIC ACID, ... | | 著者 | Bossemeyer, D, Engh, R.A, Kinzel, V, Ponstingl, H, Huber, R. | | 登録日 | 1994-07-04 | | 公開日 | 1995-10-15 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Phosphotransferase and substrate binding mechanism of the cAMP-dependent protein kinase catalytic subunit from porcine heart as deduced from the 2.0 A structure of the complex with Mn2+ adenylyl imidodiphosphate and inhibitor peptide PKI(5-24).
EMBO J., 12, 1993
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2EZ9
 | | Pyruvate oxidase variant F479W in complex with reaction intermediate analogue 2-phosphonolactyl-thiamin diphosphate | | 分子名称: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | 著者 | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | | 登録日 | 2005-11-10 | | 公開日 | 2006-04-25 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
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3KFK
 | | Crystal structures of a group II chaperonin from Methanococcus maripaludis | | 分子名称: | Chaperonin, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | 著者 | Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D. | | 登録日 | 2009-10-27 | | 公開日 | 2010-06-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (6.003 Å) | | 主引用文献 | Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle.
J.Biol.Chem., 285, 2010
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3KFB
 | | Crystal structure of a group II chaperonin from Methanococcus maripaludis | | 分子名称: | Chaperonin, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D. | | 登録日 | 2009-10-27 | | 公開日 | 2010-06-23 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle.
J.Biol.Chem., 285, 2010
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3KFE
 | | Crystal structures of a group II chaperonin from Methanococcus maripaludis | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Chaperonin, MAGNESIUM ION, ... | | 著者 | Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D. | | 登録日 | 2009-10-27 | | 公開日 | 2010-06-23 | | 最終更新日 | 2021-10-13 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle.
J.Biol.Chem., 285, 2010
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4JQ9
 | | Dihydrolipoyl dehydrogenase of Escherichia coli pyruvate dehydrogenase complex | | 分子名称: | CHLORIDE ION, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Tietzel, M, Neumann, P, Meyer, D, Ficner, R, Tittmann, K. | | 登録日 | 2013-03-20 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Dihydrolipoyl dehydrogenase of Escherichia coli pyruvate dehydrogenase complex
TO BE PUBLISHED
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2EZ8
 | | Pyruvate oxidase variant F479W in complex with reaction intermediate 2-lactyl-thiamin diphosphate | | 分子名称: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | 著者 | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | | 登録日 | 2005-11-10 | | 公開日 | 2006-04-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.963 Å) | | 主引用文献 | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
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2EZ4
 | | Pyruvate oxidase variant F479W | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | | 登録日 | 2005-11-10 | | 公開日 | 2006-04-25 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
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2EZT
 | | Pyruvate oxidase variant F479W in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate | | 分子名称: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | 著者 | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | | 登録日 | 2005-11-10 | | 公開日 | 2006-04-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
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2EZU
 | | Pyruvate oxidase variant F479W in complex with reaction intermediate 2-acetyl-thiamin diphosphate | | 分子名称: | 2-ACETYL-THIAMINE DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | 著者 | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | | 登録日 | 2005-11-10 | | 公開日 | 2006-04-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
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3FZN
 | | Intermediate analogue in benzoylformate decarboxylase | | 分子名称: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, CHLORIDE ION, ... | | 著者 | Bruning, M, Berheide, M, Meyer, D, Golbik, R, Bartunik, H, Liese, A, Tittmann, K. | | 登録日 | 2009-01-26 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structural and kinetic studies on native intermediates and an intermediate analogue in benzoylformate decarboxylase reveal a least motion mechanism with an unprecedented short-lived predecarboxylation intermediate.
Biochemistry, 48, 2009
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1STC
 | | CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH STAUROSPORINE | | 分子名称: | CAMP-DEPENDENT PROTEIN KINASE, PROTEIN KINASE INHIBITOR, STAUROSPORINE | | 著者 | Prade, L, Engh, R.A, Girod, A, Kinzel, V, Huber, R, Bossemeyer, D. | | 登録日 | 1997-10-10 | | 公開日 | 1998-02-25 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Staurosporine-induced conformational changes of cAMP-dependent protein kinase catalytic subunit explain inhibitory potential.
Structure, 5, 1997
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3BWJ
 | | Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034 | | 分子名称: | (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(6-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide, cAMP-dependent protein kinase, alpha-catalytic subunit | | 著者 | Lavogina, D, Koenig, N, Uri, A, Bossemeyer, D. | | 登録日 | 2008-01-09 | | 公開日 | 2009-02-03 | | 最終更新日 | 2019-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural analysis of ARC-type inhibitor (ARC-1034) binding to protein kinase A catalytic subunit and rational design of bisubstrate analogue inhibitors of basophilic protein kinases.
J.Med.Chem., 52, 2009
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3AG9
 | | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1012 | | 分子名称: | (10R,20R,23R)-10-(4-aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Pflug, A, Lavogina, D, Uri, A, Engh, R.A, Bossemeyer, D. | | 登録日 | 2010-03-26 | | 公開日 | 2010-09-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions.
J.Mol.Biol., 403, 2010
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3AGL
 | | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1039 | | 分子名称: | (10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A. | | 登録日 | 2010-04-02 | | 公開日 | 2010-09-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions.
J.Mol.Biol., 403, 2010
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3AGM
 | | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-670 | | 分子名称: | N~2~-{8-OXO-8-[4-(9H-PURIN-6-YL)PIPERAZIN-1-YL]OCTANOYL}-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGININAMIDE, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A. | | 登録日 | 2010-04-02 | | 公開日 | 2010-09-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions.
J.Mol.Biol., 403, 2010
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1YDT
 | | STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H89 PROTEIN KINASE INHIBITOR N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE | | 分子名称: | C-AMP-DEPENDENT PROTEIN KINASE, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, PROTEIN KINASE INHIBITOR PEPTIDE | | 著者 | Engh, R.A, Girod, A, Kinzel, V, Huber, R, Bossemeyer, D. | | 登録日 | 1996-07-24 | | 公開日 | 1997-04-01 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structures of catalytic subunit of cAMP-dependent protein kinase in complex with isoquinolinesulfonyl protein kinase inhibitors H7, H8, and H89. Structural implications for selectivity.
J.Biol.Chem., 271, 1996
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1YDS
 | | Structure of CAMP-dependent protein kinase, alpha-catalytic subunit in complex with H8 protein kinase inhibitor [N-(2-methylamino)ethyl]-5-isoquinolinesulfonamide | | 分子名称: | C-AMP-DEPENDENT PROTEIN KINASE, N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE, PROTEIN KINASE INHIBITOR PEPTIDE | | 著者 | Engh, R.A, Girod, A, Kinzel, V, Huber, R, Bossemeyer, D. | | 登録日 | 1996-07-24 | | 公開日 | 1997-04-01 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of catalytic subunit of cAMP-dependent protein kinase in complex with isoquinolinesulfonyl protein kinase inhibitors H7, H8, and H89. Structural implications for selectivity.
J.Biol.Chem., 271, 1996
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1YDR
 | | STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H7 PROTEIN KINASE INHIBITOR 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | | 分子名称: | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE, C-AMP-DEPENDENT PROTEIN KINASE, PROTEIN KINASE INHIBITOR PEPTIDE | | 著者 | Engh, R.A, Girod, A, Kinzel, V, Huber, R, Bossemeyer, D. | | 登録日 | 1996-07-24 | | 公開日 | 1997-04-01 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of catalytic subunit of cAMP-dependent protein kinase in complex with isoquinolinesulfonyl protein kinase inhibitors H7, H8, and H89. Structural implications for selectivity.
J.Biol.Chem., 271, 1996
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1SZM
 | | DUAL BINDING MODE OF BISINDOLYLMALEIMIDE 2 TO PROTEIN KINASE A (PKA) | | 分子名称: | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, cAMP-dependent protein kinase, alpha-catalytic subunit | | 著者 | Gassel, M, Breitenlechner, C.B, Koenig, N, Huber, R, Engh, R.A, Bossemeyer, D. | | 登録日 | 2004-04-06 | | 公開日 | 2004-06-01 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The protein kinase C inhibitor bisindolyl maleimide 2 binds with reversed orientations to different conformations of protein kinase a.
J.Biol.Chem., 279, 2004
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1Q61
 | | PKA triple mutant model of PKB | | 分子名称: | N-OCTANOYL-N-METHYLGLUCAMINE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | 著者 | Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A. | | 登録日 | 2003-08-12 | | 公開日 | 2003-09-30 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
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1Q24
 | | PKA double mutant model of PKB in complex with MgATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent Protein Kinase Inhibitor, ... | | 著者 | Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A. | | 登録日 | 2003-07-23 | | 公開日 | 2003-08-19 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
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