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3G6H
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BU of 3g6h by Molmil
Src Thr338Ile inhibited in the DFG-Asp-Out conformation
Descriptor: N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Seeliger, M.A, Ranjitkar, P, Kasap, C, Shan, Y, Shaw, D.E, Shah, N.P, Kuriyan, J, Maly, D.J.
Deposit date:2009-02-06
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations
Cancer Res., 69, 2009
3G6G
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BU of 3g6g by Molmil
Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations
Descriptor: GLYCEROL, N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Seeliger, M.A, Ranjitkar, P, Kasap, C, Shan, Y, Shaw, D.E, Shah, N.P, Kuriyan, J, Maly, D.J.
Deposit date:2009-02-06
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations
Cancer Res., 69, 2009
2OIQ
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BU of 2oiq by Molmil
Crystal Structure of chicken c-Src kinase domain in complex with the cancer drug imatinib.
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, Proto-oncogene tyrosine-protein kinase Src
Authors:Seeliger, M.A, Nagar, B, Frank, F, Cao, X, Henderson, M.N, Kuriyan, J.
Deposit date:2007-01-11
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:c-Src Binds to the Cancer Drug Imatinib with an Inactive Abl/c-Kit Conformation and a Distributed Thermodynamic Penalty.
Structure, 15, 2007
3U51
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BU of 3u51 by Molmil
Src in complex with DNA-templated macrocyclic inhibitor MC1
Descriptor: Proto-oncogene tyrosine-protein kinase Src, macrocyclic inhibitor MC1
Authors:Seeliger, M.A, Liu, D.R, Georghiou, G, Kleiner, R.E, Pulkoski-Gross, M.
Deposit date:2011-10-10
Release date:2012-02-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.241 Å)
Cite:Highly specific, bisubstrate-competitive Src inhibitors from DNA-templated macrocycles.
Nat.Chem.Biol., 8, 2012
3U4W
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BU of 3u4w by Molmil
Src in complex with DNA-templated macrocyclic inhibitor MC4b
Descriptor: GLYCEROL, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
Authors:Seeliger, M.A, Liu, D.R, Georghiou, G, Kleiner, R.E, Pulkoski-Gross, M.
Deposit date:2011-10-10
Release date:2012-02-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Highly specific, bisubstrate-competitive Src inhibitors from DNA-templated macrocycles.
Nat.Chem.Biol., 8, 2012
3F6X
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BU of 3f6x by Molmil
c-Src kinase domain in complex with small molecule inhibitor
Descriptor: Proto-oncogene tyrosine-protein kinase Src, [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile
Authors:Seeliger, M.A, Statsuk, A.V, Maly, D.J, Patrick, P.Z, Kuriyan, J, Shokat, K.M.
Deposit date:2008-11-06
Release date:2008-12-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Tuning a three-component reaction for trapping kinase substrate complexes.
J.Am.Chem.Soc., 130, 2008
6MQ3
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BU of 6mq3 by Molmil
Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Substrate-selective Macrocycle Inhibitor 63
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Insulin-degrading enzyme, {(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol
Authors:Tan, G.A, Seeliger, M.A, Welsh, A.J, Maianti, J.P, Liu, D.R.
Deposit date:2018-10-09
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.569147 Å)
Cite:Substrate-selective inhibitors that reprogram the activity of insulin-degrading enzyme.
Nat.Chem.Biol., 15, 2019
4YBK
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BU of 4ybk by Molmil
C-Helix-Out Dasatinib Analog Crystallized with c-Src Kinase
Descriptor: 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Kwarcinski, F.E, Brandvold, K.B, Johnson, T.K, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B.
Deposit date:2015-02-18
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Acs Chem.Biol., 11, 2016
4YC8
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BU of 4yc8 by Molmil
C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase
Descriptor: 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, ...
Authors:Kwarcinski, F.E, Brandvold, K.B, Johnson, T.J, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B.
Deposit date:2015-02-19
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Acs Chem.Biol., 11, 2016
4LTE
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BU of 4lte by Molmil
Structure of Cysteine-free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor
Descriptor: 2,6-DIAMINO-HEXANOIC ACID AMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FUMARIC ACID, ...
Authors:Foda, Z.H, Seeliger, M.A, Saghatelian, A, Liu, D.R.
Deposit date:2013-07-23
Release date:2014-05-21
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Anti-diabetic activity of insulin-degrading enzyme inhibitors mediated by multiple hormones.
Nature, 511, 2014
7N99
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BU of 7n99 by Molmil
SDE2 SAP domain apo structure
Descriptor: Isoform 2 of Replication stress response regulator SDE2
Authors:Paung, Y, Weinheimer, A.S, Rageul, J, Khan, A, Ho, B, Tong, M, Alphonse, S, Seeliger, M.A, Kim, H.
Deposit date:2021-06-17
Release date:2022-10-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Extended DNA-binding interfaces beyond the canonical SAP domain contribute to the function of replication stress regulator SDE2 at DNA replication forks.
J.Biol.Chem., 298, 2022
8UC4
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BU of 8uc4 by Molmil
Apo X-ray crystal structure of Cyclophilin D with a surface entropy reduction mutation (K175I)
Descriptor: DI(HYDROXYETHYL)ETHER, POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Kreitler, D.F, Rangwala, A.M, Seeliger, M.A.
Deposit date:2023-09-25
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Apo X-ray crystal structure of Cyclophilin D with a surface entropy reduction mutation (K175I)
To Be Published
8UC5
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BU of 8uc5 by Molmil
Apo X-ray crystal structure of Cyclophilin D with a surface entropy reduction mutation (K175I)
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Kreitler, D.F, Rangwala, A.M, Seeliger, M.A.
Deposit date:2023-09-25
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Apo X-ray crystal structure of Cyclophilin D with a surface entropy reduction mutation (K175I)
To Be Published
6WIW
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BU of 6wiw by Molmil
c-Src Bound to ATP-Competitive Inhibitor I14
Descriptor: N-(3-{[4-amino-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)acetamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Vilas-Boas, J, Thakur, M.K, Fang, L, Maly, D, Seeliger, M.A.
Deposit date:2020-04-10
Release date:2020-06-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:How ATP-Competitive Inhibitors Allosterically Modulate Tyrosine Kinases That Contain a Src-like Regulatory Architecture.
Acs Chem.Biol., 15, 2020
6EDS
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BU of 6eds by Molmil
Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Glucagon and Substrate-selective Macrocyclic Inhibitor 63
Descriptor: 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Tan, G.A, Seeliger, M.A, Maianti, J.P, Liu, D.R, Welsh, A.J.
Deposit date:2018-08-10
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.18071723 Å)
Cite:Substrate-selective inhibitors that reprogram the activity of insulin-degrading enzyme.
Nat.Chem.Biol., 15, 2019
3GEQ
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BU of 3geq by Molmil
Structural basis for the chemical rescue of Src kinase activity
Descriptor: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, Proto-oncogene tyrosine-protein kinase Src
Authors:Muratore, K.E, Seeliger, M.A, Wang, Z, Fomina, D, Neiswinger, J, Havranek, J.J, Baker, D, Kuriyan, J, Cole, P.A.
Deposit date:2009-02-25
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Comparative analysis of mutant tyrosine kinase chemical rescue.
Biochemistry, 48, 2009
7KP6
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BU of 7kp6 by Molmil
Structure of Ack1 kinase in complex with a selective inhibitor
Descriptor: 5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine, Activated CDC42 kinase 1, CHLORIDE ION
Authors:Thakur, M.K, Miller, W.T, Mahajan, N, Seeliger, M.A.
Deposit date:2020-11-10
Release date:2022-02-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Inhibiting ACK1-mediated phosphorylation of C-terminal Src kinase counteracts prostate cancer immune checkpoint blockade resistance.
Nat Commun, 13, 2022
5HGI
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BU of 5hgi by Molmil
Crystal structure of apo human IRE1 alpha
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CESIUM ION, ...
Authors:Feldman, H.C, Tong, M, Wang, L, Meza-Acevedo, R, Gobillot, T.A, Gliedt, J.M, Hari, S.B, Mitra, A.K, Backes, B.J, Papa, F.R, Seeliger, M.A, Maly, D.J.
Deposit date:2016-01-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.584 Å)
Cite:Structural and Functional Analysis of the Allosteric Inhibition of IRE1 alpha with ATP-Competitive Ligands.
Acs Chem.Biol., 11, 2016
6BYZ
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BU of 6byz by Molmil
Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Substrate-selective Macrocyclic Inhibitor 37
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ALA-ALA-ALA, Insulin-degrading enzyme, ...
Authors:Tan, G.A, Seeliger, M.A, Maianti, J.P, Liu, D.R.
Deposit date:2017-12-21
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95624852 Å)
Cite:Substrate-selective inhibitors that reprogram the activity of insulin-degrading enzyme.
Nat.Chem.Biol., 15, 2019
6BRJ
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BU of 6brj by Molmil
DDR1 bound to VX-680
Descriptor: CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, Epithelial discoidin domain-containing receptor 1
Authors:Georghiou, G, Seeliger, M.A.
Deposit date:2017-11-30
Release date:2018-12-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.231 Å)
Cite:What Makes a Kinase Promiscuous for Inhibitors?
Cell Chem Biol, 26, 2019
6BSD
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BU of 6bsd by Molmil
DDR1 bound to Dasatinib
Descriptor: Epithelial discoidin domain-containing receptor 1, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE
Authors:Georghiou, G, Seeliger, M.A.
Deposit date:2017-12-02
Release date:2018-12-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.606 Å)
Cite:What Makes a Kinase Promiscuous for Inhibitors?
Cell Chem Biol, 26, 2019
5BMM
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BU of 5bmm by Molmil
Src in complex with DNA-templated macrocyclic inhibitor MC25b
Descriptor: Proto-oncogene tyrosine-protein kinase Src, macrocyclic inhibitor MC25b
Authors:Georghiou, G, Guja, K.E, Aleem, S, Kleiner, R.E, Liu, D.R, Miller, W.T, Garcia-Diaz, M, Seeliger, M.A.
Deposit date:2015-05-22
Release date:2016-09-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Biochemical Basis for Intracellular Kinase Inhibition by Src-specific Peptidic Macrocycles.
Cell Chem Biol, 23, 2016
4YBJ
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BU of 4ybj by Molmil
Type II Dasatinib Analog Crystallized with c-Src Kinase
Descriptor: 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Kwarcinski, F.E, Brandvold, K.B, Johnson, T.K, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B.
Deposit date:2015-02-18
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Acs Chem.Biol., 11, 2016
3DQW
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BU of 3dqw by Molmil
c-Src kinase domain Thr338Ile mutant in complex with ATPgS
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Proto-oncogene tyrosine-protein kinase Src
Authors:Azam, M, Seeliger, M.A, Gray, N, Kuriyan, J, Daley, G.Q.
Deposit date:2008-07-09
Release date:2008-09-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.017 Å)
Cite:Activation of tyrosine kinases by mutation of the gatekeeper threonine.
Nat.Struct.Mol.Biol., 15, 2008
3DQX
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BU of 3dqx by Molmil
chicken c-Src kinase domain in complex with ATPgS
Descriptor: ADENOSINE MONOPHOSPHATE, Proto-oncogene tyrosine-protein kinase Src
Authors:Azam, M, Seeliger, M.A, Gray, N, Kuriyan, J, Daley, G.Q.
Deposit date:2008-07-09
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Activation of tyrosine kinases by mutation of the gatekeeper threonine.
Nat.Struct.Mol.Biol., 15, 2008

 

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數據於2024-11-20公開中

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