3BWJ
 
 | | Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034 | | Descriptor: | (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 | | Authors: | Lavogina, D, Koenig, N, Uri, A, Bossemeyer, D. | | Deposit date: | 2008-01-09 | | Release date: | 2009-02-03 | | Last modified: | 2019-09-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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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5HTB
 | | Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3353 | | Descriptor: | (3R)-4-amino-3-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name), (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | | Authors: | Chaikuad, A, Heroven, C, Lavogina, D, Kestav, K, Uri, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-01-26 | | Release date: | 2016-05-11 | | Last modified: | 2023-04-26 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors.
Acta Crystallogr.,Sect.F, 72, 2016
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5HTC
 | | Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372 | | Descriptor: | (2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name), (4S)-2-METHYL-2,4-PENTANEDIOL, ARC-3372 INHIBITOR, ... | | Authors: | Chaikuad, A, Heroven, C, Lavogina, D, Kestav, K, Uri, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-01-26 | | Release date: | 2016-03-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors.
Acta Crystallogr.,Sect.F, 72, 2016
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3AG9
 | | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1012 | | Descriptor: | (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 | | Authors: | Pflug, A, Lavogina, D, Uri, A, Engh, R.A, Bossemeyer, D. | | Deposit date: | 2010-03-26 | | Release date: | 2010-09-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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 | | Descriptor: | (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 | | Authors: | Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A. | | Deposit date: | 2010-04-02 | | Release date: | 2010-09-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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 | | Descriptor: | 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 | | Authors: | Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A. | | Deposit date: | 2010-04-02 | | Release date: | 2010-09-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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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7OOX
 | | Crystal structure of PIM1 in complex with ARC-3126 | | Descriptor: | 1,2-ETHANEDIOL, Inhibitor ARC-3126, PHOSPHATE ION, ... | | Authors: | Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-28 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Molecules, 26, 2021
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7OOV
 | | Crystal structure of PIM1 in complex with ARC-1411 | | Descriptor: | 1,2-ETHANEDIOL, Inhibitor ARC-1411, SULFATE ION, ... | | Authors: | Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-28 | | Release date: | 2021-08-04 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Molecules, 26, 2021
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7OOW
 | | Crystal structure of PIM1 in complex with ARC-1415 | | Descriptor: | 1,2-ETHANEDIOL, INHIBITOR ARC-1415, MAGNESIUM ION, ... | | Authors: | Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-28 | | Release date: | 2021-08-04 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Molecules, 26, 2021
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