5E7I
 
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6XVK
 | | Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor bearing an acrylamide | | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-22 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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6XV9
 | | Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor | | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | Authors: | Ogg, D.J, Howard, T, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-21 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.38 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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6XVA
 | | Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor bearing an acrylamide | | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide | | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-21 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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2XLJ
 | | Crystal structure of the Csy4-crRNA complex, hexagonal form | | Descriptor: | 5'-R(*CP*UP*GP*CP*CP*GP*UP*AP*UP*AP*GP*GP*CP*A*DG*C)-3', CSY4 ENDORIBONUCLEASE | | Authors: | Haurwitz, R.E, Jinek, M, Wiedenheft, B, Zhou, K, Doudna, J.A. | | Deposit date: | 2010-07-20 | | Release date: | 2010-09-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Sequence- and Structure-Specific RNA Processing by a Crispr Endonuclease.
Science, 329, 2010
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2XQQ
 | | Human dynein light chain (DYNLL2) in complex with an in vitro evolved peptide (Ac-SRGTQTE). | | Descriptor: | ACETATE ION, DYNEIN LIGHT CHAIN 2, CYTOPLASMIC, ... | | Authors: | Rapali, P, Radnai, L, Suveges, D, Hetenyi, C, Harmat, V, Tolgyesi, F, Wahlgren, W.Y, Katona, G, Nyitray, L, Pal, G. | | Deposit date: | 2010-09-07 | | Release date: | 2011-05-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Directed Evolution Reveals the Binding Motif Preference of the Lc8/Dynll Hub Protein and Predicts Large Numbers of Novel Binders in the Human Proteome
Plos One, 6, 2011
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2XLK
 | | Crystal structure of the Csy4-crRNA complex, orthorhombic form | | Descriptor: | 5'-R(*CP*UP*GP*CP*CP*GP*UP*AP*UP*AP*GP*GP*CP*A*DG*C)-3', CSY4 ENDORIBONUCLEASE | | Authors: | Haurwitz, R.E, Jinek, M, Wiedenheft, B, Zhou, K, Doudna, J.A. | | Deposit date: | 2010-07-21 | | Release date: | 2010-09-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.805 Å) | | Cite: | Sequence- and Structure-Specific RNA Processing by a Crispr Endonuclease.
Science, 329, 2010
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2XXA
 | | The Crystal Structure of the Signal Recognition Particle (SRP) in Complex with its Receptor(SR) | | Descriptor: | 4.5S RNA, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | | Authors: | Ataide, S.F, Schmitz, N, Shen, K, Ke, A, Shan, S, Doudna, J.A, Ban, N. | | Deposit date: | 2010-11-09 | | Release date: | 2011-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.94 Å) | | Cite: | The Crystal Structure of the Signal Recognition Particle in Complex with its Receptor.
Science, 331, 2011
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230D
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2AF1
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2A2T
 | | crystal structure of d(AAATATTT) | | Descriptor: | 5'-D(*AP*AP*AP*TP*AP*TP*TP*T)-3', CACODYLATE ION, MANGANESE (II) ION | | Authors: | Valls, N, Richter, M, Subirana, J.A. | | Deposit date: | 2005-06-23 | | Release date: | 2005-11-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of a DNA duplex with all-AT base pairs.
Acta Crystallogr.,Sect.D, 61, 2005
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2AVJ
 | | G4(Br)UTTG4 dimeric quadruplex | | Descriptor: | 5'-D(*GP*GP*GP*GP*(BRU)P*TP*TP*GP*GP*GP*G)-3', CACODYLATE ION, POTASSIUM ION | | Authors: | Hazel, P, Parkinson, G.N, Neidle, S. | | Deposit date: | 2005-08-30 | | Release date: | 2006-03-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Topology variation and loop structural homology in crystal and simulated structures of a bimolecular DNA quadruplex.
J.Am.Chem.Soc., 128, 2006
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5W1H
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5W1I
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1XNI
 | | Tandem Tudor Domain of 53BP1 | | Descriptor: | Tumor suppressor p53-binding protein 1 | | Authors: | Huyen, Y, Zgheib, O, DiTullio Jr, R.A, Gorgoulis, V.G, Zacharatos, P, Petty, T.J, Sheston, E.A, Mellert, H.S, Stavridi, E.S, Halazonetis, T.D. | | Deposit date: | 2004-10-05 | | Release date: | 2004-11-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Methylated lysine 79 of histone H3 targets 53BP1 to DNA double-strand breaks
Nature, 432, 2004
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4WOZ
 | | Crystal Structures of CdNal from Clostridium difficile in complex with mannosamine | | Descriptor: | 2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE, N-acetylneuraminate lyase | | Authors: | Liu, W.D, Guo, R.T, Cui, Y.F, Chen, X, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2014-10-17 | | Release date: | 2015-10-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal Structures of CdNal from Clostridium difficile in complex with mannosamine
to be published
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4WOQ
 | | Crystal Structures of CdNal from Clostridium difficile in complex with ketobutyric | | Descriptor: | 2-KETOBUTYRIC ACID, N-acetylneuraminate lyase | | Authors: | Liu, W.D, Guo, R.T, Cui, Y.F, Chen, X, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2014-10-16 | | Release date: | 2015-10-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures of CdNal from Clostridium difficile in complex with ketobutyric
to be published
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4TXY
 | | Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase, a prokaryotic cGAS homolog | | Descriptor: | Cyclic AMP-GMP synthase, MAGNESIUM ION | | Authors: | Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A. | | Deposit date: | 2014-07-07 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.0001 Å) | | Cite: | Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
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4TY0
 | | Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with linear intermediate 5' pppA(3',5')pG | | Descriptor: | ACETATE ION, Cyclic AMP-GMP synthase, MAGNESIUM ION, ... | | Authors: | Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A. | | Deposit date: | 2014-07-07 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
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4TXZ
 | | Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with nonhydrolyzable GTP | | Descriptor: | Cyclic AMP-GMP synthase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Authors: | Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A. | | Deposit date: | 2014-07-07 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
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5OAC
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6XVB
 | | Crystal structure of the kinase domain of human c-KIT with a cyclic imidate inhibitor covalently bound to Cys788 | | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-21 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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6XVJ
 | | Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor | | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-22 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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5NP3
 | | Abl2 SH3 | | Descriptor: | Abelson tyrosine-protein kinase 2 | | Authors: | Mero, B, Radnai, L, Gogl, G, Leveles, I, Buday, L. | | Deposit date: | 2017-04-13 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into the tyrosine phosphorylation-mediated inhibition of SH3 domain-ligand interactions.
J.Biol.Chem., 294, 2019
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5NP5
 | | Abl2 SH3 pTyr116/161 | | Descriptor: | Abelson tyrosine-protein kinase 2, SULFATE ION | | Authors: | Mero, B, Radnai, L, Gogl, G, Leveles, I, Buday, L. | | Deposit date: | 2017-04-13 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural insights into the tyrosine phosphorylation-mediated inhibition of SH3 domain-ligand interactions.
J.Biol.Chem., 294, 2019
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