2B2A
 
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1MT6
 | | Structure of histone H3 K4-specific methyltransferase SET7/9 with AdoHcy | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SET9 | | Authors: | Jacobs, S.A, Harp, J.M, Devarakonda, S, Kim, Y, Rastinejad, F, Khorasanizadeh, S. | | Deposit date: | 2002-09-20 | | Release date: | 2002-11-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The active site of the SET domain is constructed on a knot
Nat.Struct.Biol., 9, 2002
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1KNA
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1KNE
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1MUF
 | | Structure of histone H3 K4-specific methyltransferase SET7/9 | | Descriptor: | SET9 | | Authors: | Jacobs, S.A, Harp, J.M, Devarakonda, S, Kim, Y, Rastinejad, F, Khorasanizadeh, S. | | Deposit date: | 2002-09-23 | | Release date: | 2002-11-06 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | The active site of the SET domain is constructed on a knot
Nat.Struct.Biol., 9, 2002
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1Q3L
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4AQ4
 | | substrate bound sn-glycerol-3-phosphate binding periplasmic protein ugpB from Escherichia coli | | Descriptor: | CADMIUM ION, COBALT (II) ION, GLYCEROL, ... | | Authors: | Wuttge, S, Bommer, M, Jaeger, F, Martins, B.M, Jacob, S, Licht, A, Scheffel, F, Dobbek, H, Schneider, E. | | Deposit date: | 2012-04-13 | | Release date: | 2012-10-17 | | Last modified: | 2019-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Determinants of Substrate Specificity and Biochemical Properties of the Sn-Glycerol-3-Phosphate ATP Binding Cassette Transporter (Ugpb-Aec(2) ) of Escherichia Coli.
Mol.Microbiol., 86, 2012
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4C3F
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5HZN
 | | Structure of NVP-AEW541 in complex with IGF-1R kinase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Insulin-like growth factor 1 receptor, ... | | Authors: | Cowan-Jacob, S.W. | | Deposit date: | 2016-02-02 | | Release date: | 2016-04-06 | | Last modified: | 2016-12-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of a 5-[3-phenyl-(2-cyclic-ether)-methylether]-4-aminopyrrolo[2,3-d]pyrimidine series of IGF-1R inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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3TES
 | | Crystal Structure of Tencon | | Descriptor: | Tencon | | Authors: | Luo, J, Jacobs, S, Teplyakov, A, Obmolova, G, O'Neil, K, Gilliland, G. | | Deposit date: | 2011-08-15 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design of novel FN3 domains with high stability by a consensus sequence approach.
Protein Eng.Des.Sel., 25, 2012
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3TEU
 | | Crystal structure of fibcon | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Fibcon | | Authors: | Luo, J, Jacobs, S, Teplyakov, A, Obmolova, G, O'Neil, K, Gilliland, G. | | Deposit date: | 2011-08-15 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.002 Å) | | Cite: | Design of novel FN3 domains with high stability by a consensus sequence approach.
Protein Eng.Des.Sel., 25, 2012
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5A14
 | | Human CDK2 with type II inhibitor | | Descriptor: | 1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Alexander, L.T, Elkins, J.M, Kopec, J, Fedorov, O, Savitsky, P.A, Moebitz, H, Cowan-Jacob, S.W, Szklarz, M, Pike, A.C.W, Carpenter, E.P, Krojer, T, Bountra, C, Edwards, A.M, Knapp, S. | | Deposit date: | 2015-04-27 | | Release date: | 2015-07-22 | | Last modified: | 2019-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Type II Inhibitors Targeting Cdk2.
Acs Chem.Biol., 10, 2015
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5MO4
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3K5V
 | | Structure of Abl kinase in complex with imatinib and GNF-2 | | Descriptor: | 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | | Authors: | Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A. | | Deposit date: | 2009-10-08 | | Release date: | 2010-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors.
Nature, 463, 2010
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3IW4
 | | Crystal structure of PKC alpha in complex with NVP-AEB071 | | Descriptor: | 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione, Protein kinase C alpha type | | Authors: | Stark, W, Rummel, G, Strauss, A, Cowan-Jacob, S.W. | | Deposit date: | 2009-09-02 | | Release date: | 2009-11-03 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione (AEB071), a potent and selective inhibitor of protein kinase C isotypes
J.Med.Chem., 52, 2009
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5MZ3
 | | P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide] | | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | | Authors: | Cowan-Jacob, S.W, Scheufler, C. | | Deposit date: | 2017-01-30 | | Release date: | 2017-11-15 | | Last modified: | 2018-11-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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3TXO
 | | PKC eta kinase in complex with a naphthyridine | | Descriptor: | 2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine, Protein kinase C eta type | | Authors: | Stark, W, Rummel, G, Cowan-Jacob, S.W. | | Deposit date: | 2011-09-23 | | Release date: | 2011-11-30 | | Last modified: | 2011-12-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 2,6-Naphthyridines as potent and selective inhibitors of the novel protein kinase C isozymes.
Bioorg.Med.Chem.Lett., 21, 2011
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6HD4
 | | ABL1 IN COMPLEX WITH COMPOUND 7 AND IMATINIB (STI-571) | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, 6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide, CHLORIDE ION, ... | | Authors: | Cowan-Jacob, S.W. | | Deposit date: | 2018-08-17 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1.
J. Med. Chem., 61, 2018
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6HD6
 | | ABL1 IN COMPLEX WITH COMPOUND6 AND IMATINIB (STI-571) | | Descriptor: | 3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | | Authors: | Cowan-Jacob, S.W. | | Deposit date: | 2018-08-17 | | Release date: | 2018-09-12 | | Last modified: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1.
J. Med. Chem., 61, 2018
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3CS9
 | | Human ABL kinase in complex with nilotinib | | Descriptor: | Nilotinib, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Cowan-Jacob, S.W, Fendrich, G, Manley, P, Liebetanz, J, Fabbro, D. | | Deposit date: | 2008-04-09 | | Release date: | 2008-04-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Characterization of AMN107, a selective inhibitor of native and mutant Bcr-Abl
Cancer Cell, 7, 2005
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3MS9
 | | ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, Tyrosine-protein kinase ABL1, ... | | Authors: | Cowan-Jacob, S.W, Rummel, G, Fendrich, G. | | Deposit date: | 2010-04-29 | | Release date: | 2010-05-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay.
J.Am.Chem.Soc., 132, 2010
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3MSS
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1J0X
 | | Crystal structure of the rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH) | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, glyceraldehyde-3-phosphate dehydrogenase | | Authors: | Cowan-Jacob, S.W, Kaufmann, M, Anselmo, A.N, Stark, W, Grutter, M.G. | | Deposit date: | 2002-11-25 | | Release date: | 2003-12-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of rabbit-muscle glyceraldehyde-3-phosphate dehydrogenase.
Acta Crystallogr.,Sect.D, 59, 2003
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3MPM
 | | LCK complexed with a pyrazolopyrimidine | | Descriptor: | 1,2-ETHANEDIOL, 4-{(6R,7R)-7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl}phenol, Tyrosine-protein kinase Lck | | Authors: | Cowan-Jacob, S.W, Rummel, G. | | Deposit date: | 2010-04-27 | | Release date: | 2010-06-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | New pyrazolo[1,5a]pyrimidines as orally active inhibitors of Lck.
Bioorg.Med.Chem.Lett., 20, 2010
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1DJ2
 | | STRUCTURES OF ADENYLOSUCCINATE SYNTHETASE FROM TRITICUM AESTIVUM AND ARABIDOPSIS THALIANA | | Descriptor: | ADENYLOSUCCINATE SYNTHETASE, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Prade, L, Cowan-Jacob, S.W, Chemla, P, Potter, S, Ward, E, Fonne-Pfister, R. | | Deposit date: | 1999-12-01 | | Release date: | 2000-03-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of adenylosuccinate synthetase from Triticum aestivum and Arabidopsis thaliana.
J.Mol.Biol., 296, 2000
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