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PDB: 84 results
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
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
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
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
1BD8
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BU of 1bd8 by Molmil
STRUCTURE OF CDK INHIBITOR P19INK4D
Descriptor: P19INK4D CDK4/6 INHIBITOR
Authors:Baumgartner, R, Fernandez-Catalan, C, Winoto, A, Huber, R, Engh, R, Holak, T.A.
Deposit date:1998-05-12
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human cyclin-dependent kinase inhibitor p19INK4d: comparison to known ankyrin-repeat-containing structures and implications for the dysfunction of tumor suppressor p16INK4a.
Structure, 6, 1998
1XH8
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BU of 1xh8 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
Descriptor: N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
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:2024-06-26
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
1XHA
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BU of 1xha by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
Descriptor: N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
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:2024-06-26
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
1XH7
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BU of 1xh7 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
Descriptor: N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
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:2024-06-26
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
1XH9
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BU of 1xh9 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
Descriptor: (R,R)-2,3-BUTANEDIOL, N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, 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:2024-06-26
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
1XH6
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BU of 1xh6 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
Descriptor: N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
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:2024-06-26
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
1XH5
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BU of 1xh5 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
Descriptor: (R,R)-2,3-BUTANEDIOL, N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, 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:2024-06-26
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
1XH4
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BU of 1xh4 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
Descriptor: N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
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:2024-06-26
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
3VQH
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BU of 3vqh by Molmil
Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Pflug, A, Johnson, K.A, Engh, R.A.
Deposit date:2012-03-23
Release date:2012-08-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Anomalous dispersion analysis of inhibitor flexibility: a case study of the kinase inhibitor H-89
Acta Crystallogr.,Sect.F, 68, 2012
3W2C
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BU of 3w2c by Molmil
Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XV
Descriptor: 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide, Aurora kinase A
Authors:Oliveira, T.M, Kairies, N.A, Engh, R.A.
Deposit date:2012-11-28
Release date:2014-02-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Flexibility and multiple conformations of the activation and glycine rich loops of aurora A accompanying inhibitor binding
To be Published
3W18
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BU of 3w18 by Molmil
Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XIII
Descriptor: 2-{3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide, Aurora kinase A
Authors:Oliveira, T.M, Kairies, N.A, Engh, R.A.
Deposit date:2012-11-09
Release date:2014-02-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Flexibility and multiple conformations of the activation and glycine rich loops of Aurora A accompanying inhibitor binding
To be Published
1CDK
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BU of 1cdk by Molmil
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
Descriptor: CAMP-DEPENDENT PROTEIN KINASE, MANGANESE (II) ION, MYRISTIC ACID, ...
Authors:Bossemeyer, D, Engh, R.A, Kinzel, V, Ponstingl, H, Huber, R.
Deposit date:1994-07-04
Release date:1995-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
1BDA
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BU of 1bda by Molmil
CATALYTIC DOMAIN OF HUMAN SINGLE CHAIN TISSUE PLASMINOGEN ACTIVATOR IN COMPLEX WITH DANSYL-EGR-CMK (DANSYL-GLU-GLY-ARG CHLOROMETHYL KETONE)
Descriptor: N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide, SINGLE CHAIN TISSUE TYPE PLASMINOGEN ACTIVATOR
Authors:Bode, W, Renatus, M, Engh, R.A.
Deposit date:1998-05-07
Release date:1999-05-11
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Lysine 156 promotes the anomalous proenzyme activity of tPA: X-ray crystal structure of single-chain human tPA.
EMBO J., 16, 1997
1A85
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BU of 1a85 by Molmil
MMP8 WITH MALONIC AND ASPARAGINE BASED INHIBITOR
Descriptor: CALCIUM ION, MMP-8, N~1~-(3-aminobenzyl)-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-aspartamide, ...
Authors:Brandstetter, H, Roedern, E.G.V, Grams, F, Engh, R.A.
Deposit date:1998-04-03
Release date:1999-04-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of malonic acid-based inhibitors bound to human neutrophil collagenase. A new binding mode explains apparently anomalous data.
Protein Sci., 7, 1998
1YOL
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BU of 1yol by Molmil
Crystal structure of Src kinase domain in complex with CGP77675
Descriptor: 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-4-OL, Proto-oncogene tyrosine-protein kinase Src
Authors:Breitenlechner, C.B, Kairies, N.A, Honold, K, Scheiblich, S, Koll, H, Greiter, E, Koch, S, Schaefer, W, Huber, R, Engh, R.A.
Deposit date:2005-01-27
Release date:2006-01-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of active SRC kinase domain complexes
J.Mol.Biol., 353, 2005
1A86
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BU of 1a86 by Molmil
MMP8 WITH MALONIC AND ASPARTIC ACID BASED INHIBITOR
Descriptor: CALCIUM ION, MMP-8, N-benzyl-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alpha-asparagine, ...
Authors:Brandstetter, H, Roedern, E.G.V, Grams, F, Engh, R.A.
Deposit date:1998-04-03
Release date:1999-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of malonic acid-based inhibitors bound to human neutrophil collagenase. A new binding mode explains apparently anomalous data.
Protein Sci., 7, 1998
1WQJ
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BU of 1wqj by Molmil
Structural Basis for the Regulation of Insulin-Like Growth Factors (IGFs) by IGF Binding Proteins (IGFBPs)
Descriptor: Insulin-like growth factor IB, Insulin-like growth factor binding protein 4
Authors:Siwanowicz, I, Popowicz, G.M, Wisniewska, M, Huber, R, Kuenkele, K.P, Lang, K, Engh, R.A, Holak, T.A.
Deposit date:2004-09-29
Release date:2005-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the regulation of insulin-like growth factors by IGF binding proteins
Structure, 13, 2005
1WYX
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BU of 1wyx by Molmil
The Crystal Structure of the p130Cas SH3 Domain at 1.1 A Resolution
Descriptor: 1,2-ETHANEDIOL, CRK-associated substrate, MAGNESIUM ION
Authors:Wisniewska, M, Bossenmaier, B, Georges, G, Hesse, F, Dangl, M, Kuenkele, K.P, Ioannidis, I, Huber, R, Engh, R.A.
Deposit date:2005-02-17
Release date:2005-04-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:The 1.1 A resolution crystal structure of the p130cas SH3 domain and ramifications for ligand selectivity
J.Mol.Biol., 347, 2005
1YOJ
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BU of 1yoj by Molmil
Crystal structure of Src kinase domain
Descriptor: proto-oncogene tyrosine-protein kinase SRC
Authors:Breitenlechner, C.B, Kairies, N.A, Honold, K, Scheiblich, S, Koll, H, Greiter, E, Koch, S, Schaefer, W, Huber, R, Engh, R.A.
Deposit date:2005-01-27
Release date:2006-01-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of active SRC kinase domain complexes
J.Mol.Biol., 353, 2005
1YOM
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BU of 1yom by Molmil
Crystal structure of Src kinase domain in complex with Purvalanol A
Descriptor: 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, Proto-oncogene tyrosine-protein kinase Src
Authors:Breitenlechner, C.B, Kairies, N.A, Honold, K, Scheiblich, S, Koll, H, Greiter, E, Koch, S, Schaefer, W, Huber, R, Engh, R.A.
Deposit date:2005-01-27
Release date:2006-01-27
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of active SRC kinase domain complexes
J.Mol.Biol., 353, 2005

224572

数据于2024-09-04公开中

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