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PDB: 83 results
6FRX
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BU of 6frx by Molmil
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
1YDR
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BU of 1ydr by Molmil
STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H7 PROTEIN KINASE INHIBITOR 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE
Descriptor: 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE, C-AMP-DEPENDENT PROTEIN KINASE, PROTEIN KINASE INHIBITOR PEPTIDE
Authors:Engh, R.A, Girod, A, Kinzel, V, Huber, R, Bossemeyer, D.
Deposit date:1996-07-24
Release date:1997-04-01
Last modified:2024-10-23
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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BU of 1ydt by Molmil
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, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, PROTEIN KINASE INHIBITOR PEPTIDE
Authors:Engh, R.A, Girod, A, Kinzel, V, Huber, R, Bossemeyer, D.
Deposit date:1996-07-24
Release date:1997-04-01
Last modified:2024-10-23
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
1YDS
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BU of 1yds by Molmil
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, N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE, PROTEIN KINASE INHIBITOR PEPTIDE
Authors:Engh, R.A, Girod, A, Kinzel, V, Huber, R, Bossemeyer, D.
Deposit date:1996-07-24
Release date:1997-04-01
Last modified:2024-10-09
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
3MYW
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BU of 3myw by Molmil
The Bowman-Birk type inhibitor from mung bean in ternary complex with porcine trypsin
Descriptor: Bowman-Birk type trypsin inhibitor, CALCIUM ION, Trypsin
Authors:Engh, R.A, Bode, W, Huber, R, Lin, G, Chi, C.
Deposit date:2010-05-11
Release date:2010-12-29
Last modified:2023-09-06
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
1UVT
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BU of 1uvt by Molmil
BOVINE THROMBIN--BM14.1248 COMPLEX
Descriptor: N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE, THROMBIN
Authors:Engh, R.A, Huber, R.
Deposit date:1996-10-16
Release date:1997-11-19
Last modified:2024-10-30
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
1UVS
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BU of 1uvs by Molmil
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
1UVU
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BU of 1uvu by Molmil
BOVINE THROMBIN--BM12.1700 COMPLEX
Descriptor: 3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER, THROMBIN
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
5IZJ
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BU of 5izj by Molmil
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1411
Descriptor: 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAR-DAR, 47P-AZ1-DAR-DAR-DAR, ...
Authors:Pflug, A, Enkvist, E, Uri, A, Engh, R.A.
Deposit date:2016-03-25
Release date:2016-07-20
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
5IZF
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BU of 5izf by Molmil
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1408
Descriptor: 6J9-ZEU-DAR-ACA-DAR-NH2, SULFATE ION, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Pflug, A, Enkvist, E, Uri, A, Engh, R.A.
Deposit date:2016-03-25
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
5J5X
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BU of 5j5x by Molmil
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1416
Descriptor: 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAL-DAR-DAR-DAR-DAR, SULFATE ION, ...
Authors:Alam, K.A, Ivan, T, Uri, A, Engh, R.A.
Deposit date:2016-04-04
Release date:2016-07-20
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
5N23
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BU of 5n23 by Molmil
Protein kinase A mutants as surrogate model for Aurora B with AT9283 inhibitor
Descriptor: 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Alam, K.A, Rothweiler, U, Engh, R.A.
Deposit date:2017-02-07
Release date:2018-03-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.088 Å)
Cite:Inhibitor induced structural effects involving Phe327 in AGC kinases
To Be Published
4Z84
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BU of 4z84 by Molmil
PKAB3 in complex with pyrrolidine inhibitor 34a
Descriptor: 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Lund, B.A, Alam, K.A, Engh, R.A.
Deposit date:2015-04-08
Release date:2015-12-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.554 Å)
Cite:Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic.
Chemistry, 22, 2016
4ZOG
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BU of 4zog by Molmil
VX-680/MK-0457 binds to human ABL1 also in inactive DFG conformations.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-METHOXYETHANOL, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, ...
Authors:Kyomuhendo, P, Narayanan, D, Engh, R.A.
Deposit date:2015-05-06
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:VX-680/MK-0457 binds also to human ABL1 with inactive DFG conformations.
To Be Published
4Z83
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BU of 4z83 by Molmil
PKAB3 in complex with pyrrolidine inhibitor 47a
Descriptor: 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Lund, B.A, Alam, K.A, Engh, R.A.
Deposit date:2015-04-08
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic.
Chemistry, 22, 2016
5BPM
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BU of 5bpm by Molmil
Crystal structure of unhydrolyzed ATP bound human Hsp70 NBD double mutant E268Q+R272K.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
Authors:Narayanan, D, Engh, R.A.
Deposit date:2015-05-28
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BPL
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BU of 5bpl by Molmil
Crystal structure of ADP and Pi bound human Hsp70 NBD mutant R272K.
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Narayanan, D, Engh, R.A.
Deposit date:2015-05-28
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BN8
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BU of 5bn8 by Molmil
Crystal structure of nucleotide-free human Hsp70 NBD.
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
Authors:Narayanan, D, Engh, R.A.
Deposit date:2015-05-25
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BPN
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BU of 5bpn by Molmil
Crystal structure of nucleotide-free human Hsp70 NBD double mutant E268Q+R272K.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
Authors:Narayanan, D, Engh, R.A.
Deposit date:2015-05-28
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BN9
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BU of 5bn9 by Molmil
Crystal structure of ADP bound human Hsp70 NBD mutant R272K.
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Narayanan, D, Engh, R.A.
Deposit date:2015-05-25
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.689 Å)
Cite:Nucleotide binding to variants of the HSP70-NBD.
To Be Published
1Q8T
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BU of 1q8t by Molmil
The Catalytic Subunit of cAMP-dependent Protein Kinase (PKA) in Complex with Rho-kinase Inhibitor Y-27632
Descriptor: (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
Authors:Breitenlechner, C, Gassel, M, Hidaka, H, Kinzel, V, Huber, R, Engh, R.A, Bossemeyer, D.
Deposit date:2003-08-22
Release date:2003-12-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protein kinase A in complex with Rho-kinase inhibitors Y-27632, Fasudil, and H-1152P: structural basis of selectivity.
Structure, 11, 2003
5BX6
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BU of 5bx6 by Molmil
PKA in complex with a halogenated phthalazinone fragment compound.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-chlorophthalazin-1(2H)-one, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Narayanan, D, Alam, K.A, Engh, R.A.
Deposit date:2015-06-08
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:PKA based studies of ligand interactions with a methionine gatekeeper.
To Be Published
5BX7
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BU of 5bx7 by Molmil
PKA in complex with a benzothiophene fragment compound.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-benzothiophen-3-ylmethanol, ...
Authors:Narayanan, D, Alam, K.A, Engh, R.A.
Deposit date:2015-06-08
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:PKA based studies of ligand interactions with a methionine gatekeeper.
To Be Published
4D1Z
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BU of 4d1z by Molmil
CDK2 in complex with a Luciferin derivate
Descriptor: (4S)-2-(8-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, CYCLIN-DEPENDENT KINASE 2
Authors:Rothweiler, U, Engh, R.A.
Deposit date:2014-05-05
Release date:2015-03-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Luciferin and Derivatives as a Dyrk Selective Scaffold for the Design of Protein Kinase Inhibitors.
Eur.J.Med.Chem., 94, 2015
4D1X
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BU of 4d1x by Molmil
CDK2 in complex with Luciferin
Descriptor: (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, CYCLIN-DEPENDENT KINASE 2
Authors:Rothweiler, U, Engh, R.A.
Deposit date:2014-05-05
Release date:2015-03-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Luciferin and Derivatives as a Dyrk Selective Scaffold for the Design of Protein Kinase Inhibitors.
Eur.J.Med.Chem., 94, 2015

 

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