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4Z0W
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BU of 4z0w by Molmil
Peptaibol gichigamin isolated from Tolypocladium sup_5
Descriptor: PEPTAIBOL GICHIGAMIN
Authors:Du, L, Risinger, A.L, Mitchell, C.A, Stamps, B.W, Pan, N, King, J.B, Motley, J.L, Thomas, L.M, Yang, Z, Stevenson, B.S, Mooberry, S.L, Cichewicz, R.H.
Deposit date:2015-03-26
Release date:2016-03-30
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Peptaibol gichigamin isolated from Tolypocladium sup_5
TO BE PUBLISHED
4Z4Q
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Quinazolinedione(PD 0305970)-DNA cleavage complex of topoisomerase IV from S. pneumoniae
Descriptor: 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione, DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, MAGNESIUM ION, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-04-02
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
4Z2E
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Quinolone(Trovafloxacin)-DNA cleavage complex of gyrase from S. pneumoniae
Descriptor: DNA gyrase subunit A, DNA gyrase subunit B, MAGNESIUM ION, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-03-29
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
4Z3O
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Quinolone(Moxifloxacin)-DNA cleavage complex of topoisomerase IV from S. pneumoniae
Descriptor: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA topoisomerase 4 subunit B,ParE30-ParC55 fused topo IV from S. pneumoniae, E-site DNA, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-03-31
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.44 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
4Z7A
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Structural and biochemical characterization of a non-functionally redundant M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5.
Descriptor: ACETYL GROUP, DI(HYDROXYETHYL)ETHER, Mycobacterium tuberculosis (3,3)L,D-Transpeptidase type 5, ...
Authors:Basta, L, Ghosh, A, Pan, Y, Jakoncic, J, Lloyd, E, Townsend, G, Lamichhane, G, Bianchet, M.A.
Deposit date:2015-04-06
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Loss of a Functionally and Structurally Distinct ld-Transpeptidase, LdtMt5, Compromises Cell Wall Integrity in Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
4Z2D
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BU of 4z2d by Molmil
Quinolone(Levofloxacin)-DNA cleavage complex of gyrase from S. pneumoniae
Descriptor: (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-03-29
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
4Z2C
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BU of 4z2c by Molmil
Quinolone(Moxifloxacin)-DNA cleavage complex of gyrase from S. pneumoniae
Descriptor: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-03-29
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
4Z53
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BU of 4z53 by Molmil
Quinolone(Trovafloxacin)-DNA cleavage complex of topoisomerase IV from S. pneumoniae
Descriptor: DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, E-site DNA, MAGNESIUM ION, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-04-02
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
3IYM
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Backbone Trace of the Capsid Protein Dimer of a Fungal Partitivirus from Electron Cryomicroscopy and Homology Modeling
Descriptor: Capsid protein
Authors:Tang, J, Pan, J, Havens, W.F, Ochoa, W.F, Li, H, Sinkovits, R.S, Guu, T.S.Y, Ghabrial, S.A, Nibert, M.L, Tao, J.Y, Baker, T.S.
Deposit date:2010-02-05
Release date:2010-07-28
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Backbone Trace of Partitivirus Capsid Protein from Electron Cryomicroscopy and Homology Modeling
Biophys.J., 99, 2010
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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BU of 6gqk by Molmil
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
6GQM
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BU of 6gqm by Molmil
Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229
Descriptor: CHLORIDE ION, Mast/stem cell growth factor receptor Kit, ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-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 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
6GQL
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Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35)
Descriptor: Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-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 (2.01 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
6GQP
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Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23)
Descriptor: Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
Authors:Hardy, C.J, Schimpl, M, 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 (2.09 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
6GQQ
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BU of 6gqq by Molmil
Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35)
Descriptor: Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-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:2024-01-17
Method:X-RAY DIFFRACTION (1.52 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
6HZV
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HUMAN JAK3 IN COMPLEX WITH LASW959 PROTEIN IN COMPLEX WITH LIGAND
Descriptor: 3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile, Tyrosine-protein kinase JAK3
Authors:Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M.
Deposit date:2018-10-24
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.
J.Med.Chem., 62, 2019
6HZU
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BU of 6hzu by Molmil
HUMAN JAK1 IN COMPLEX WITH LASW1393
Descriptor: 2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1
Authors:Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M.
Deposit date:2018-10-24
Release date:2019-10-23
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.
J.Med.Chem., 62, 2019
6J56
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BU of 6j56 by Molmil
Crystal structure of Myosin VI CBD in complex with Tom1 MBM
Descriptor: Peptide from Target of Myb protein 1, Unconventional myosin-VI
Authors:Hu, S, Pan, L.
Deposit date:2019-01-10
Release date:2019-08-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Structure of Myosin VI/Tom1 complex reveals a cargo recognition mode of Myosin VI for tethering.
Nat Commun, 10, 2019
3JBV
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Mechanisms of Ribosome Stalling by SecM at Multiple Elongation Steps
Descriptor: 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Zhang, J, Pan, X.J, Yan, K.G, Sun, S, Gao, N, Sui, S.F.
Deposit date:2015-10-16
Release date:2016-01-27
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Mechanisms of ribosome stalling by SecM at multiple elongation steps
Elife, 4, 2015
3K9F
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BU of 3k9f by Molmil
Detailed structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
Descriptor: (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA (5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*T)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*T)-3'), ...
Authors:Laponogov, I, Pan, X.-S, Veselkov, D.A, Fisher, L.M, Sanderson, M.R.
Deposit date:2009-10-15
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Plos One, 5, 2010
3KSB
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BU of 3ksb by Molmil
Detailed structural insight into the DNA cleavage complex of type IIA topoisomerases (re-sealed form)
Descriptor: 5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*TP*GP*AP*CP*TP*AP*TP*GP*CP*AP*CP*GP*TP*AP*AP*AP*AP*CP*AP*G)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*TP*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3', DNA topoisomerase 4 subunit A, ...
Authors:Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2009-11-21
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Plos One, 5, 2010
3KSA
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Detailed structural insight into the DNA cleavage complex of type IIA topoisomerases (cleaved form)
Descriptor: 5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*T)-3', 5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3', ...
Authors:Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2009-11-21
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Plos One, 5, 2010
6LYW
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Structural insight into the biological functions of Arabidopsis thaliana ACHT1
Descriptor: GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ...
Authors:Wang, J.C, Pan, W.M, Wang, M.Z, Zhang, M.
Deposit date:2020-02-16
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into the biological functions of Arabidopsis thaliana ACHT1.
Int.J.Biol.Macromol., 158, 2020
6LYX
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Crystal structure of oxidized ACHT1
Descriptor: GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ...
Authors:Wang, J.C, Pan, W.M, Cai, W.G, Wang, M.Z, Zhang, M.
Deposit date:2020-02-16
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Structural insight into the biological functions of Arabidopsis thaliana ACHT1.
Int.J.Biol.Macromol., 158, 2020

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