Author results

1YDR
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STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H7 PROTEIN KINASE INHIBITOR 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE
Descriptor:C-AMP-DEPENDENT PROTEIN KINASE, PROTEIN KINASE INHIBITOR PEPTIDE, 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE
Authors:Engh, R.A., Girod, A., Kinzel, V., Huber, R., Bossemeyer, D.
Deposit date:1996-07-24
Release date:1997-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
1YDS
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STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H8 PROTEIN KINASE INHIBITOR [N-(2-METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE
Descriptor:C-AMP-DEPENDENT PROTEIN KINASE, PROTEIN KINASE INHIBITOR PEPTIDE, N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE
Authors:Engh, R.A., Girod, A., Kinzel, V., Huber, R., Bossemeyer, D.
Deposit date:1996-07-24
Release date:1997-04-01
Last modified:2012-02-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
1YDT
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STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H89 PROTEIN KINASE INHIBITOR N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE
Descriptor:C-AMP-DEPENDENT PROTEIN KINASE, PROTEIN KINASE INHIBITOR PEPTIDE, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE
Authors:Engh, R.A., Girod, A., Kinzel, V., Huber, R., Bossemeyer, D.
Deposit date:1996-07-24
Release date:1997-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
1UVS
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BOVINE THROMBIN--BM51.1011 COMPLEX
Descriptor:THROMBIN, [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE
Authors:Engh, R.A., Huber, R.
Deposit date:1996-10-16
Release date:1997-11-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design.
Structure, 4, 1996
1UVT
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BOVINE THROMBIN--BM14.1248 COMPLEX
Descriptor:THROMBIN, N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE
Authors:Engh, R.A., Huber, R.
Deposit date:1996-10-16
Release date:1997-11-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design.
Structure, 4, 1996
1UVU
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BOVINE THROMBIN--BM12.1700 COMPLEX
Descriptor:THROMBIN, 3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER
Authors:Engh, R.A., Huber, R.
Deposit date:1996-10-16
Release date:1997-11-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design.
Structure, 4, 1996
6FRX
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PKA VARIANT AS AURORA B MIMIC IN COMPLEX WITH A DIANILINOPYRIMIDINE INHIBITOR
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide
Authors:Engh, R.A., Kazi, A.A.
Deposit date:2018-02-16
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:PKA variant as Aurora B mimic in complex with a dianilinopyrimidine inhibitor
To Be Published
3MYW
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THE BOWMAN-BIRK TYPE INHIBITOR FROM MUNG BEAN IN TERNARY COMPLEX WITH PORCINE TRYPSIN
Descriptor:Trypsin, Bowman-Birk type trypsin inhibitor, CALCIUM ION
Authors:Engh, R.A., Bode, W., Huber, R., Lin, G., Chi, C.
Deposit date:2010-05-11
Release date:2010-12-29
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The 0.25-nm X-ray structure of the Bowman-Birk-type inhibitor from mung bean in ternary complex with porcine trypsin.
Eur.J.Biochem., 212, 1993
1STC
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CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH STAUROSPORINE
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, PROTEIN KINASE INHIBITOR, STAUROSPORINE
Authors:Prade, L., Engh, R.A., Girod, A., Kinzel, V., Huber, R., Bossemeyer, D.
Deposit date:1997-10-10
Release date:1998-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Staurosporine-induced conformational changes of cAMP-dependent protein kinase catalytic subunit explain inhibitory potential.
Structure, 5, 1997
1Q24
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PKA DOUBLE MUTANT MODEL OF PKB IN COMPLEX WITH MGATP
Descriptor:cAMP-dependent Protein Kinase, alpha-catalytic subunit, cAMP-dependent Protein Kinase Inhibitor, ...
Authors:Gassel, M., Breitenlechner, C.B., Rueger, P., Jucknischke, U., Schneider, T., Huber, R., Bossemeyer, D., Engh, R.A.
Deposit date:2003-07-23
Release date:2003-08-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
1Q61
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PKA TRIPLE MUTANT MODEL OF PKB
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, cAMP-dependent protein kinase inhibitor, ...
Authors:Gassel, M., Breitenlechner, C.B., Rueger, P., Jucknischke, U., Schneider, T., Huber, R., Bossemeyer, D., Engh, R.A.
Deposit date:2003-08-12
Release date:2003-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
1Q62
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PKA DOUBLE MUTANT MODEL OF PKB
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, cAMP-dependent protein kinase inhibitor, ...
Authors:Gassel, M., Breitenlechner, C.B., Rueger, P., Jucknischke, U., Schneider, T., Huber, R., Bossemeyer, D., Engh, R.A.
Deposit date:2003-08-12
Release date:2003-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
1SZM
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DUAL BINDING MODE OF BISINDOLYLMALEIMIDE 2 TO PROTEIN KINASE A (PKA)
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE
Authors:Gassel, M., Breitenlechner, C.B., Koenig, N., Huber, R., Engh, R.A., Bossemeyer, D.
Deposit date:2004-04-06
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The protein kinase C inhibitor bisindolyl maleimide 2 binds with reversed orientations to different conformations of protein kinase a.
J.Biol.Chem., 279, 2004
1XH4
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CRYSTAL STRUCTURES OF PROTEIN KINASE B SELECTIVE INHIBITORS IN COMPLEX WITH PROTEIN KINASE A AND MUTANTS
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, cAMP-dependent protein kinase inhibitor, ...
Authors:Breitenlechner, C.B., Friebe, W.-G., Brunet, E., Werner, G., Graul, K., Thomas, U., Kuenkele, K.-P., Schaefer, W., Gassel, M., Bossemeyer, D., Huber, R., Engh, R.A., Masjost, B.
Deposit date:2004-09-17
Release date:2005-09-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1XH5
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CRYSTAL STRUCTURES OF PROTEIN KINASE B SELECTIVE INHIBITORS IN COMPLEX WITH PROTEIN KINASE A AND MUTANTS
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, cAMP-dependent protein kinase inhibitor, ...
Authors:Breitenlechner, C.B., Friebe, W.-G., Brunet, E., Werner, G., Graul, K., Thomas, U., Kuenkele, K.-P., Schaefer, W., Gassel, M., Bossemeyer, D., Huber, R., Engh, R.A., Masjost, B.
Deposit date:2004-09-17
Release date:2005-09-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1XH6
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CRYSTAL STRUCTURES OF PROTEIN KINASE B SELECTIVE INHIBITORS IN COMPLEX WITH PROTEIN KINASE A AND MUTANTS
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, cAMP-dependent protein kinase inhibitor, ...
Authors:Breitenlechner, C.B., Friebe, W.-G., Brunet, E., Werner, G., Graul, K., Thomas, U., Kuenkele, K.-P., Schaefer, W., Gassel, M., Bossemeyer, D., Huber, R., Engh, R.A., Masjost, B.
Deposit date:2004-09-17
Release date:2005-09-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1XH7
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CRYSTAL STRUCTURES OF PROTEIN KINASE B SELECTIVE INHIBITORS IN COMPLEX WITH PROTEIN KINASE A AND MUTANTS
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, cAMP-dependent protein kinase inhibitor, ...
Authors:Breitenlechner, C.B., Friebe, W.-G., Brunet, E., Werner, G., Graul, K., Thomas, U., Kuenkele, K.-P., Schaefer, W., Gassel, M., Bossemeyer, D., Huber, R., Engh, R.A., Masjost, B.
Deposit date:2004-09-17
Release date:2005-09-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1XH8
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CRYSTAL STRUCTURES OF PROTEIN KINASE B SELECTIVE INHIBITORS IN COMPLEX WITH PROTEIN KINASE A AND MUTANTS
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, cAMP-dependent protein kinase inhibitor, ...
Authors:Breitenlechner, C.B., Friebe, W.-G., Brunet, E., Werner, G., Graul, K., Thomas, U., Kuenkele, K.-P., Schaefer, W., Gassel, M., Bossemeyer, D., Huber, R., Engh, R.A., Masjost, B.
Deposit date:2004-09-17
Release date:2005-09-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1XH9
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CRYSTAL STRUCTURES OF PROTEIN KINASE B SELECTIVE INHIBITORS IN COMPLEX WITH PROTEIN KINASE A AND MUTANTS
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, cAMP-dependent protein kinase inhibitor, ...
Authors:Breitenlechner, C.B., Friebe, W.-G., Brunet, E., Werner, G., Graul, K., Thomas, U., Kuenkele, K.-P., Schaefer, W., Gassel, M., Bossemeyer, D., Huber, R., Engh, R.A., Masjost, B.
Deposit date:2004-09-17
Release date:2005-09-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1XHA
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CRYSTAL STRUCTURES OF PROTEIN KINASE B SELECTIVE INHIBITORS IN COMPLEX WITH PROTEIN KINASE A AND MUTANTS
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, cAMP-dependent protein kinase inhibitor, ...
Authors:Breitenlechner, C.B., Friebe, W.-G., Brunet, E., Werner, G., Graul, K., Thomas, U., Kuenkele, K.-P., Schaefer, W., Gassel, M., Bossemeyer, D., Huber, R., Engh, R.A., Masjost, B.
Deposit date:2004-09-17
Release date:2005-09-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
2GNF
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PROTEIN KINASE A FIVEFOLD MUTANT MODEL OF RHO-KINASE WITH Y-27632
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, cAMP-dependent protein kinase inhibitor alpha, ...
Authors:Bonn, S., Herrero, S., Breitenlechner, C.B., Engh, R.A., Gassel, M., Bossemeyer, D.
Deposit date:2006-04-10
Release date:2006-05-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
2GNG
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PROTEIN KINASE A FIVEFOLD MUTANT MODEL OF RHO-KINASE
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, cAMP-dependent protein kinase inhibitor alpha
Authors:Bonn, S., Herrero, S., Breitenlechner, C.B., Engh, R.A., Gassel, M., Bossemeyer, D.
Deposit date:2006-04-10
Release date:2006-05-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
2GNH
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PKA FIVE FOLD MUTANT MODEL OF RHO-KINASE WITH H1152P
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, cAMP-dependent protein kinase inhibitor alpha, ...
Authors:Bonn, S., Herrero, S., Breitenlechner, C.B., Engh, R.A., Gassel, M., Bossemeyer, D.
Deposit date:2006-04-10
Release date:2006-05-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
2GNI
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PKA FIVEFOLD MUTANT MODEL OF RHO-KINASE WITH INHIBITOR FASUDIL (HA1077)
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, cAMP-dependent protein kinase inhibitor alpha, ...
Authors:Bonn, S., Herrero, S., Breitenlechner, C.B., Engh, R.A., Gassel, M., Bossemeyer, D.
Deposit date:2006-04-10
Release date:2006-05-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
2GNJ
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PKA THREE FOLD MUTANT MODEL OF RHO-KINASE WITH Y-27632
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, cAMP-dependent protein kinase inhibitor alpha, ...
Authors:Bonn, S., Herrero, S., Breitenlechner, C.B., Engh, R.A., Gassel, M., Bossemeyer, D.
Deposit date:2006-04-10
Release date:2006-05-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006