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PDB: 81 件
8H7H
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BU of 8h7h by Molmil
The crystal structure of human abl1 kinase domain in complex with abl1-A-EBA
分子名称: 5-[3-(6-methoxyisoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-prop-2-ynyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1
著者Zhu, C.J, Zhang, Z.M.
登録日2022-10-20
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.27789712 Å)
主引用文献2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
4ZOG
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VX-680/MK-0457 binds to human ABL1 also in inactive DFG conformations.
分子名称: 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, ...
著者Kyomuhendo, P, Narayanan, D, Engh, R.A.
登録日2015-05-06
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献VX-680/MK-0457 binds also to human ABL1 with inactive DFG conformations.
To Be Published
7DT2
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Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors
分子名称: Tyrosine-protein kinase ABL1, [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid
著者Anantharajan, J, Baburajendran, N.
登録日2021-01-04
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors*.
Angew.Chem.Int.Ed.Engl., 60, 2021
3QRK
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BU of 3qrk by Molmil
The crystal structure of human abl1 kinase domain in complex with DP-987
分子名称: (3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, Tyrosine-protein kinase ABL1
著者Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
登録日2011-02-18
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
3EG0
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BU of 3eg0 by Molmil
Crystal structure of the N114T mutant of ABL-SH3 domain
分子名称: GLYCEROL, Proto-oncogene tyrosine-protein kinase ABL1
著者Camara-Artigas, A.
登録日2008-09-10
公開日2009-09-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Role of interfacial water molecules in proline-rich ligand recognition by the Src homology 3 domain of Abl.
J.Biol.Chem., 285, 2010
6NPU
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BU of 6npu by Molmil
C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者Campobasso, N.
登録日2019-01-18
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
2HYY
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Human Abl kinase domain in complex with imatinib (STI571, Glivec)
分子名称: 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
著者Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
登録日2006-08-08
公開日2007-01-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
4TWP
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BU of 4twp by Molmil
The crystal structure of human abl1 T315I gatekeeper mutant kinase domain in complex with axitinib
分子名称: AXITINIB, NICKEL (II) ION, SODIUM ION, ...
著者Johnson, E, McTigue, M, Cronin, C.N.
登録日2014-07-01
公開日2015-02-11
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation.
Nature, 519, 2015
2GQG
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BU of 2gqg by Molmil
X-ray Crystal Structure of Dasatinib (BMS-354825) Bound to Activated ABL Kinase Domain
分子名称: GLYCEROL, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
著者Klei, H.E.
登録日2006-04-20
公開日2006-11-21
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Structure of Dasatinib (BMS-354825) Bound to Activated ABL Kinase Domain Elucidates Its Inhibitory Activity against Imatinib-Resistant ABL Mutants
CANCER RES., 66, 2006
3UE4
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BU of 3ue4 by Molmil
Structural and spectroscopic analysis of the kinase inhibitor bosutinib binding to the Abl tyrosine kinase domain
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Tyrosine-protein kinase ABL1
著者Boxer, S.G, Levinson, N.M.
登録日2011-10-28
公開日2012-04-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.424 Å)
主引用文献Structural and spectroscopic analysis of the kinase inhibitor bosutinib and an isomer of bosutinib binding to the abl tyrosine kinase domain.
Plos One, 7, 2012
8H7F
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BU of 8h7f by Molmil
The crystal structure of human abl1 kinase domain in complex with abl1-B-EBA
分子名称: 1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea, Tyrosine-protein kinase ABL1
著者Zhu, C.J, Zhang, Z.M.
登録日2022-10-20
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.45013428 Å)
主引用文献2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
2ABL
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BU of 2abl by Molmil
SH3-SH2 DOMAIN FRAGMENT OF HUMAN BCR-ABL TYROSINE KINASE
分子名称: ABL TYROSINE KINASE
著者Nam, H.-J, Frederick, C.A.
登録日1996-11-17
公開日1997-09-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Intramolecular interactions of the regulatory domains of the Bcr-Abl kinase reveal a novel control mechanism.
Structure, 4, 1996
2V7A
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BU of 2v7a by Molmil
Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358
分子名称: MAGNESIUM ION, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1
著者Modugno, M, Casale, E, Soncini, C, Rosettani, P, Colombo, R, Lupi, R, Rusconi, L, Fancelli, D, Carpinelli, P, Cameron, A.D, Isacchi, A, Moll, J.
登録日2007-07-27
公開日2007-09-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the T315I Abl Mutant in Complex with the Aurora Kinases Inhibitor Pha-739358.
Cancer Res., 67, 2007
6BL8
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BU of 6bl8 by Molmil
Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models
分子名称: PURVALANOL B, SULFATE ION, Tyrosine-protein kinase ABL1
著者Clawson, D.K, Gao, C.
登録日2017-11-09
公開日2018-03-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models.
J Chem Theory Comput, 14, 2018
2G2F
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BU of 2g2f by Molmil
A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain
分子名称: ATP-Peptide Conjugate, Abl Kinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Levinson, N.M, Kuchment, O.
登録日2006-02-15
公開日2006-05-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A SRC-like inactive conformation in the abl tyrosine kinase domain.
Plos Biol., 4, 2006
7CC2
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BU of 7cc2 by Molmil
Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors
分子名称: Tyrosine-protein kinase ABL1, [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid
著者Anantharajan, J, Baburajendran, N.
登録日2020-06-16
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.723 Å)
主引用文献Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors*.
Angew.Chem.Int.Ed.Engl., 60, 2021
2HZ4
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BU of 2hz4 by Molmil
Abl kinase domain unligated and in complex with tetrahydrostaurosporine
分子名称: 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Proto-oncogene tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
登録日2006-08-08
公開日2007-01-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
8SSN
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BU of 8ssn by Molmil
Abl kinase in complex with SKI and asciminib
分子名称: 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Ludewig, H, Kim, C, Kern, D.
登録日2023-05-08
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
4XEY
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Crystal structure of an SH2-kinase domain construct of c-Abl tyrosine kinase
分子名称: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase ABL1
著者Lorenz, S, Deng, P, Kuriyan, J.
登録日2014-12-25
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.891 Å)
主引用文献Crystal structure of an SH2-kinase construct of c-Abl and effect of the SH2 domain on kinase activity.
Biochem.J., 468, 2015
4YC8
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C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide, ...
著者Kwarcinski, F.E, Brandvold, K.B, Johnson, T.J, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B.
登録日2015-02-19
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Acs Chem.Biol., 11, 2016
2G2I
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BU of 2g2i by Molmil
A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-Peptide Conjugate, Abl Tyrosine Kinase
著者Levinson, N.M, Kuchment, O.
登録日2006-02-16
公開日2006-05-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献A SRC-like inactive conformation in the abl tyrosine kinase domain.
Plos Biol., 4, 2006
1OPL
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BU of 1opl by Molmil
Structural basis for the auto-inhibition of c-Abl tyrosine kinase
分子名称: 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, MYRISTIC ACID, proto-oncogene tyrosine-protein kinase
著者Nagar, B, Hantschel, O, Young, M.A, Scheffzek, K, Veach, D, Bornmann, W, Clarkson, B, Superti-Furga, G, Kuriyan, J.
登録日2003-03-06
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Structural basis for the autoinhibition of c-Abl tyrosine kinase
Cell(Cambridge,Mass.), 112, 2003
1ZZP
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BU of 1zzp by Molmil
Solution structure of the F-actin binding domain of Bcr-Abl/c-Abl
分子名称: Proto-oncogene tyrosine-protein kinase ABL1
著者Hantschel, O, Wiesner, S, Guttler, T, Mackereth, C.D, Rix, L.L.R, Mikes, Z, Dehne, J, Gorlich, D, Sattler, M, Superti-Furga, G.
登録日2005-06-14
公開日2005-08-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural Basis for the Cytoskeletal Association of Bcr-Abl/c-Abl.
Mol.Cell, 19, 2005
1AB2
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BU of 1ab2 by Molmil
THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE SRC HOMOLOGY 2 DOMAIN OF C-ABL
分子名称: C-ABL TYROSINE KINASE SH2 DOMAIN
著者Overduin, M, Rios, C.B, Mayer, B.J, Baltimore, D, Cowburn, D.
登録日1993-07-19
公開日1994-01-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Three-dimensional solution structure of the src homology 2 domain of c-abl.
Cell(Cambridge,Mass.), 70, 1992
1AWO
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BU of 1awo by Molmil
THE SOLUTION NMR STRUCTURE OF ABL SH3 AND ITS RELATIONSHIP TO SH2 IN THE SH(32) CONSTRUCT, 20 STRUCTURES
分子名称: ABL TYROSINE KINASE
著者Cowburn, D.
登録日1997-10-03
公開日1998-01-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of Abl SH3, and its relationship to SH2 in the SH(32) construct.
Structure, 3, 1995

223532

件を2024-08-07に公開中

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