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PDB: 45 results

2B2A
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BU of 2b2a by Molmil
Crystal Structure of the TEN domain of the Telomerase Reverse Transcriptase
Descriptor: Telomerase reverse transcriptase
Authors:Jacobs, S.A, Podell, E.R, Cech, T.R.
Deposit date:2005-09-18
Release date:2006-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of the essential N-terminal domain of telomerase reverse transcriptase.
Nat.Struct.Mol.Biol., 13, 2006
1KNA
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BU of 1kna by Molmil
Chromo domain of HP1 complexed with histone H3 tail containing dimethyllysine 9.
Descriptor: HETEROCHROMATIN PROTEIN 1, METHYLATED Histone H3
Authors:Jacobs, S.A, Khorasanizadeh, S.
Deposit date:2001-12-18
Release date:2002-03-20
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of HP1 chromodomain bound to a lysine 9-methylated histone H3 tail.
Science, 295, 2002
1KNE
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Chromo domain of HP1 complexed with histone H3 tail containing trimethyllysine 9
Descriptor: HETEROCHROMATIN PROTEIN 1, Trimethylated Histone H3
Authors:Jacobs, S.A, Khorasanizadeh, S.
Deposit date:2001-12-18
Release date:2002-03-20
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of HP1 chromodomain bound to a lysine 9-methylated histone H3 tail.
Science, 295, 2002
1Q3L
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Chromodomain Of HP1 Complexed With Histone H3 Tail Containing monomethyllysine 9.
Descriptor: Heterochromatin protein 1, Histone H3
Authors:Jacobs, S.A, Khorasanizadeh, S.
Deposit date:2003-07-30
Release date:2004-10-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Chromodomain Of HP1 Complexed With Histone H3 Tail Containing monomethyllysine 9
To be Published
1MUF
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BU of 1muf by Molmil
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:2024-11-20
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
1MT6
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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
3K5V
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BU of 3k5v by Molmil
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
3TXO
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BU of 3txo by Molmil
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:2024-11-20
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
3CS9
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BU of 3cs9 by Molmil
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
3IW4
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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:2024-11-20
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
5HZN
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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:2024-05-08
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
1Y57
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Structure of unphosphorylated c-Src in complex with an inhibitor
Descriptor: 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]PHENYL}BENZAMIDE, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
Authors:Cowan-Jacob, S.W, Fendrich, G, Manley, P.W, Jahnke, W, Fabbro, D, Liebetanz, J, Meyer, T.
Deposit date:2004-12-02
Release date:2005-06-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The Crystal Structure of a c-Src Complex in an Active Conformation Suggests Possible Steps in c-Src Activation
Structure, 13, 2005
4C3F
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BU of 4c3f by Molmil
Structure of Lck in complex with a compound discovered by Virtual Fragment Linking
Descriptor: N-phenyl-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine, TYROSINE-PROTEIN KINASE LCK
Authors:Cowan-Jacob, S.W, Rummel, G, Stark, W.
Deposit date:2013-08-23
Release date:2013-10-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Efficient search of chemical space: navigating from fragments to structurally diverse chemotypes.
J. Med. Chem., 56, 2013
5MZ3
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BU of 5mz3 by Molmil
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:2024-05-08
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
5A14
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BU of 5a14 by Molmil
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:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Type II Inhibitors Targeting Cdk2.
Acs Chem.Biol., 10, 2015
1J0X
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BU of 1j0x by Molmil
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
5MO4
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ABL1 kinase (T334I_D382N) in complex with asciminib and nilotinib
Descriptor: Nilotinib, Tyrosine-protein kinase ABL1, asciminib
Authors:Cowan-Jacob, S.W.
Deposit date:2016-12-13
Release date:2017-04-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The allosteric inhibitor ABL001 enables dual targeting of BCR-ABL1.
Nature, 543, 2017
3MPM
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BU of 3mpm by Molmil
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
6HD4
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BU of 6hd4 by Molmil
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
2HZN
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BU of 2hzn by Molmil
Abl kinase domain in complex with NVP-AFG210
Descriptor: 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
Deposit date:2006-08-09
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2HZI
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BU of 2hzi by Molmil
Abl kinase domain in complex with PD180970
Descriptor: 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
Deposit date:2006-08-09
Release date:2007-01-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2HZ0
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BU of 2hz0 by Molmil
Abl kinase domain in complex with NVP-AEG082
Descriptor: 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
Deposit date:2006-08-08
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
3MS9
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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
3MSS
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BU of 3mss by Molmil
Abl kinase in complex with imatinib and fragment (FRAG2) in the myristate site
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, O-benzyl-N-methyl-L-tyrosinamide, 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:2023-09-06
Method:X-RAY DIFFRACTION (1.95 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
2HYY
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Human Abl kinase domain in complex with imatinib (STI571, Glivec)
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
Deposit date:2006-08-08
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007

 

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