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5ANY
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BU of 5any by Molmil
Electron cryo-microscopy of chikungunya virus in complex with neutralizing antibody Fab CHK265
Descriptor: E1, E2, FAB, ...
Authors:Fox, J.M, Long, F, Edeling, M.A, Lin, H, Duijl-Richter, M, Fong, R.H, Kahle, K.M, Smit, J.M, Jin, J, Simmons, G, Doranz, B.J, Crowe, J.E, Fremont, D.H, Rossmann, M.G, Diamond, M.S.
Deposit date:2015-09-08
Release date:2015-11-25
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (16.9 Å)
Cite:Broadly Neutralizing Alphavirus Antibodies Bind an Epitope on E2 and Inhibit Entry and Egress.
Cell(Cambridge,Mass.), 163, 2015
3J8D
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BU of 3j8d by Molmil
Cryoelectron microscopy of dengue-Fab E104 complex at pH 5.5
Descriptor: Envelope protein E, antibody E111 Fab fragment, glycoprotein DIII
Authors:Zhang, X.Z, Sheng, J, Austin, S.K, Hoornweg, T, Smit, J.M, Kuhn, R.J, Diamond, M.S, Rossmann, M.G.
Deposit date:2014-10-13
Release date:2014-11-12
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (26 Å)
Cite:Structure of Acidic pH Dengue Virus Showing the Fusogenic Glycoprotein Trimers.
J.Virol., 89, 2015
5AK0
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BU of 5ak0 by Molmil
Human PFKFB3 in complex with an indole inhibitor 6
Descriptor: (2S)-N-[4-[1-METHYL-3-(1-METHYLPYRAZOL-4-YL)INDOL-5-YL]OXYPHENYL]PYRROLIDINE-2-CARBOXAMIDE, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
Authors:Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJZ
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BU of 5ajz by Molmil
Human PFKFB3 in complex with an indole inhibitor 5
Descriptor: 2-azanyl-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]ethanamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
Authors:Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJV
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BU of 5ajv by Molmil
Human PFKFB3 in complex with an indole inhibitor 1
Descriptor: (2S)-2-amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide, 2,6-di-O-phosphono-beta-D-fructofuranose, HUMAN PFKFB3, ...
Authors:Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJX
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BU of 5ajx by Molmil
Human PFKFB3 in complex with an indole inhibitor 3
Descriptor: (2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
Authors:Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJW
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BU of 5ajw by Molmil
Human PFKFB3 in complex with an indole inhibitor 2
Descriptor: 2-amino-N-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
Authors:Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
5AJY
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BU of 5ajy by Molmil
Human PFKFB3 in complex with an indole inhibitor 4
Descriptor: 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide, ...
Authors:Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J.
Deposit date:2015-02-27
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
9EYU
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BU of 9eyu by Molmil
Human PRMT5 in complex with AZ compound 1
Descriptor: (1~{S})-2-[(2-carbamimidamido-1,3-thiazol-5-yl)methyl]-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-1-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ...
Authors:Debreczeni, J.
Deposit date:2024-04-09
Release date:2024-08-14
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 67, 2024
9EYW
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BU of 9eyw by Molmil
Human PRMT5 in complex with AZ compound 21
Descriptor: (3~{S})-2-[(5-azanyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ...
Authors:Debreczeni, J.
Deposit date:2024-04-09
Release date:2024-08-14
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 67, 2024
9EYX
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BU of 9eyx by Molmil
Human PRMT5 in complex with AZ compound 28
Descriptor: (3~{S})-2-[(5-azanyl-6-fluoranyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ...
Authors:Debreczeni, J.
Deposit date:2024-04-09
Release date:2024-08-14
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 67, 2024
9EYV
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BU of 9eyv by Molmil
Human PRMT5 in complex with AZ compound 12
Descriptor: (1~{S})-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-(1~{H}-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1~{H}-isoindole-1-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ...
Authors:Debreczeni, J.
Deposit date:2024-04-09
Release date:2024-08-14
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 67, 2024
8D87
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BU of 8d87 by Molmil
Fitted crystal structure of the homotrimer of fusion glycoprotein E1 from SFV into subtomogram averaged CHIKV E1 glycoprotein density
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mangala Prasad, V, Lee, K.K.
Deposit date:2022-06-08
Release date:2022-08-31
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (27.200001 Å)
Cite:Visualization of conformational changes and membrane remodeling leading to genome delivery by viral class-II fusion machinery.
Nat Commun, 13, 2022
9CLP
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BU of 9clp by Molmil
Structure of ecarin from the venom of Kenyan saw-scaled viper in complex with the Fab of neutralizing antibody H11
Descriptor: CALCIUM ION, Endogenous peptide, H11 Fab heavy chain, ...
Authors:Mindrebo, J.T, Lander, G.C.
Deposit date:2024-07-12
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Importance of the Cysteine-Rich Domain of Snake Venom Prothrombin Activators: Insights Gained from Synthetic Neutralizing Antibodies.
Toxins, 16, 2024
7BHS
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BU of 7bhs by Molmil
Crystal structure of MAT2a with quinazoline fragment 2 bound in the allosteric site
Descriptor: 6-chloranyl-2-methoxy-4-phenyl-quinazoline, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
Deposit date:2021-01-11
Release date:2021-04-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
7BHU
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BU of 7bhu by Molmil
Crystal structure of MAT2a with elaborated fragment 26 bound in the allosteric site
Descriptor: 1,2-ETHANEDIOL, 7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one, S-ADENOSYLMETHIONINE, ...
Authors:Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
Deposit date:2021-01-11
Release date:2021-04-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
7BHW
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BU of 7bhw by Molmil
Crystal structure of MAT2a bound to allosteric inhibitor (compound 29)
Descriptor: 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
Deposit date:2021-01-11
Release date:2021-04-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
7BHR
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BU of 7bhr by Molmil
Crystal structure of MAT2a with triazinone fragment 1 bound in the allosteric site
Descriptor: 4-(dimethylamino)-6-ethoxy-1~{H}-1,3,5-triazin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
Deposit date:2021-01-11
Release date:2021-04-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
7BHV
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BU of 7bhv by Molmil
Crystal structure of MAT2a bound to allosteric inhibitor and in vivo tool compound 28
Descriptor: 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
Deposit date:2021-01-11
Release date:2021-04-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
7BHT
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BU of 7bht by Molmil
Crystal structure of MAT2a with quinazolinone fragment 5 bound in the allosteric site
Descriptor: 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
Deposit date:2021-01-11
Release date:2021-04-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.052 Å)
Cite:Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
7BHX
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BU of 7bhx by Molmil
Crystal structure of MAT2a bound to allosteric inhibitor (compound 31)
Descriptor: 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
Deposit date:2021-01-11
Release date:2021-04-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
1QCZ
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BU of 1qcz by Molmil
CRYSTAL STRUCTURE OF E. COLI PURE, AN UNUSUAL MUTASE THAT CATALYZES THE CONVERSION OF N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE (N5-CAIR) TO 4-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE (CAIR) IN THE PURINE BIOSYNTHETIC PATHWAY
Descriptor: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE
Authors:Ealick, S.E, Mathews, I.I.
Deposit date:1999-05-10
Release date:1999-11-10
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Escherichia coli PurE, an unusual mutase in the purine biosynthetic pathway.
Structure Fold.Des., 7, 1999
6GQJ
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BU of 6gqj by Molmil
Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 18)
Descriptor: 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Mast/stem cell growth factor receptor Kit
Authors:Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQO
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BU of 6gqo by Molmil
Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 18)
Descriptor: 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Vascular endothelial growth factor receptor 2
Authors:Ogg, D.J, Schimpl, M, Hardy, C.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GQK
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Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 23)
Descriptor: Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
Authors:Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018

 

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