6GQM
 
 | | 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: | 2018-10-31 | | 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
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6GQL
 | | 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: | 2018-10-31 | | 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
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6GQP
 | | 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
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6GQQ
 | | 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
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1XXE
 | | RDC refined solution structure of the AaLpxC/TU-514 complex | | Descriptor: | 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Coggins, B.E, McClerren, A.L, Jiang, L, Li, X, Rudolph, J, Hindsgaul, O, Raetz, C.R.H, Zhou, P. | | Deposit date: | 2004-11-04 | | Release date: | 2004-11-23 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Refined Solution Structure of the LpxC-TU-514 Complex and pK(a) Analysis of an Active Site Histidine: Insights into the Mechanism and Inhibitor Design
Biochemistry, 44, 2005
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1Y4E
 | | NMR structure of transmembrane segment IV of the NHE1 isoform of the Na+/H+ exchanger | | Descriptor: | Sodium/hydrogen exchanger 1 | | Authors: | Slepkov, E.R, Rainey, J.K, Li, X, Liu, Y, Lindhout, D.A, Sykes, B.D, Fliegel, L. | | Deposit date: | 2004-11-30 | | Release date: | 2005-02-01 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structural and functional characterization of transmembrane segment IV of the NHE1 isoform of the Na+/H+ exchanger.
J.Biol.Chem., 280, 2005
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8HJT
 | | Crystal Structure of Intracellular B30.2 Domain of VpBTN3 and VpBTN2 in Complex with HMBPP | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Butyrophylin 3, ... | | Authors: | Yang, Y.Y, Shen, P.P, Li, X, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-11-23 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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8W4U
 | | human KCNQ2-CaM in complex with PIP2 and HN37 | | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | | Authors: | Ma, D, Li, X, Guo, J. | | Deposit date: | 2023-08-25 | | Release date: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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8IGT
 | | Crystal Structure of Intracellular B30.2 Domain of BTN2A1 | | Descriptor: | Butyrophilin subfamily 2 member A1, ZINC ION | | Authors: | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | | Deposit date: | 2023-02-21 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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4A1G
 | | The crystal structure of the human Bub1 TPR domain in complex with the KI motif of Knl1 | | Descriptor: | MITOTIC CHECKPOINT SERINE/THREONINE-PROTEIN KINASE BUB1, PROTEIN CASC5 | | Authors: | Krenn, V, Wehenkel, A, Li, X, Santaguida, S, Musacchio, A. | | Deposit date: | 2011-09-15 | | Release date: | 2012-02-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Analysis Reveals Features of the Spindle Checkpoint Kinase Bub1-Kinetochore Subunit Knl1 Interaction.
J.Cell Biol., 196, 2012
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8JYE
 | | Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with HMBPP | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, ... | | Authors: | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H. | | Deposit date: | 2023-07-03 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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8JYC
 | | Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with DMAPP | | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, Butyrophilin subfamily 3 member A1, ... | | Authors: | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H. | | Deposit date: | 2023-07-03 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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2H0P
 | | NMR Structure of the Dengue-4 virus Envelope Protein Domain III | | Descriptor: | Envelope glycoprotein | | Authors: | Volk, D.E, Lee, Y, Li, X, Thiviyanathan, V, Barrett, A.D.T, Gorenstein, D.G. | | Deposit date: | 2006-05-15 | | Release date: | 2007-03-27 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the envelope protein domain III of dengue-4 virus.
Virology, 364, 2007
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1QSR
 | | CRYSTAL STRUCTURE OF TETRAHYMENA GCN5 WITH BOUND ACETYL-COENZYME A | | Descriptor: | ACETYL COENZYME *A, TGCN5 HISTONE ACETYL TRANSFERASE | | Authors: | Rojas, J.R, Trievel, R.C, Zhou, J, Mo, Y, Li, X, Berger, S.L, David Allis, C, Marmorstein, R. | | Deposit date: | 1999-06-23 | | Release date: | 1999-09-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Tetrahymena GCN5 bound to coenzyme A and a histone H3 peptide.
Nature, 401, 1999
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3V32
 | | Crystal structure of MCPIP1 N-terminal conserved domain | | Descriptor: | Ribonuclease ZC3H12A | | Authors: | Xu, J, Peng, W, Sun, Y, Wang, X, Xu, Y, Li, X, Gao, G, Rao, Z. | | Deposit date: | 2011-12-12 | | Release date: | 2012-05-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural study of MCPIP1 N-terminal conserved domain reveals a PIN-like RNase
Nucleic Acids Res., 40, 2012
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4D1Q
 | | Hermes transposase bound to its terminal inverted repeat | | Descriptor: | SODIUM ION, TERMINAL INVERTED REPEAT, TRANSPOSASE | | Authors: | Hickman, A.B, Ewis, H, Li, X, Knapp, J, Laver, T, Doss, A.L, Tolun, G, Steven, A, Grishaev, A, Bax, A, Atkinson, P, Craig, N.L, Dyda, F. | | Deposit date: | 2014-05-04 | | Release date: | 2014-07-30 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural Basis of Hat Transposon End Recognition by Hermes, an Octameric DNA Transposase from Musca Domestica.
Cell(Cambridge,Mass.), 158, 2014
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4NXL
 | | Dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis | | Descriptor: | DszC | | Authors: | Zhang, L, Duan, X, Li, X, Rao, Z. | | Deposit date: | 2013-12-09 | | Release date: | 2014-07-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the stabilization of active, tetrameric DszC by its C-terminus.
Proteins, 82, 2014
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1QST
 | | CRYSTAL STRUCTURE OF TETRAHYMENA GCN5 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, TGCN5 HISTONE ACETYL TRANSFERASE | | Authors: | Rojas, J.R, Trievel, R.C, Zhou, J, Mo, Y, Li, X, Berger, S.L, David Allis, C, Marmorstein, R. | | Deposit date: | 1999-06-23 | | Release date: | 1999-09-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of Tetrahymena GCN5 bound to coenzyme A and a histone H3 peptide.
Nature, 401, 1999
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3V33
 | | Crystal structure of MCPIP1 conserved domain with zinc-finger motif | | Descriptor: | Ribonuclease ZC3H12A | | Authors: | Xu, J, Peng, W, Sun, Y, Wang, X, Xu, Y, Li, X, Gao, G, Rao, Z. | | Deposit date: | 2011-12-12 | | Release date: | 2012-05-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Structural study of MCPIP1 N-terminal conserved domain reveals a PIN-like RNase
Nucleic Acids Res., 40, 2012
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3V34
 | | Crystal structure of MCPIP1 conserved domain with magnesium ion in the catalytic center | | Descriptor: | MAGNESIUM ION, Ribonuclease ZC3H12A | | Authors: | Xu, J, Peng, W, Sun, Y, Wang, X, Xu, Y, Li, X, Gao, G, Rao, Z. | | Deposit date: | 2011-12-12 | | Release date: | 2012-05-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Structural study of MCPIP1 N-terminal conserved domain reveals a PIN-like RNase
Nucleic Acids Res., 40, 2012
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1QSN
 | | CRYSTAL STRUCTURE OF TETRAHYMENA GCN5 WITH BOUND COENZYME A AND HISTONE H3 PEPTIDE | | Descriptor: | COENZYME A, HISTONE H3, TGCN5 HISTONE ACETYL TRANSFERASE | | Authors: | Rojas, J.R, Trievel, R.C, Zhou, J, Mo, Y, Li, X, Berger, S.L, David Allis, C, Marmorstein, R. | | Deposit date: | 1999-06-22 | | Release date: | 1999-09-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Tetrahymena GCN5 bound to coenzyme A and a histone H3 peptide.
Nature, 401, 1999
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1QXK
 | | Monoacid-Based, Cell Permeable, Selective Inhibitors of Protein Tyrosine Phosphatase 1B | | Descriptor: | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Xin, Z, Liu, G, Abad-Zapatero, C, Pei, Z, Szczepankiewick, B.G, Li, X, Zhang, T, Hutchins, C.W, Hajduk, P.J, Ballaron, S.J, Stashko, M.A, Lubben, T.H, Trevillyan, J.M, Jirousek, M.R. | | Deposit date: | 2003-09-08 | | Release date: | 2003-10-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of a Monoacid-Based, Cell Permeable, Selective
Inhibitor of Protein Tyrosine Phosphatase 1B
BIOORG.MED.CHEM.LETT., 13, 2003
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4DM4
 | | The conserved domain of yeast Cdc73 | | Descriptor: | Cell division control protein 73 | | Authors: | Chen, H, Shi, N, Gao, Y, Li, X, Niu, L, Teng, M. | | Deposit date: | 2012-02-06 | | Release date: | 2012-08-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystallographic analysis of the conserved C-terminal domain of transcription factor Cdc73 from Saccharomyces cerevisiae reveals a GTPase-like fold.
Acta Crystallogr.,Sect.D, 68, 2012
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4EDL
 | | Crystal structure of beta-parvin CH2 domain | | Descriptor: | 1,2-ETHANEDIOL, Beta-parvin | | Authors: | Stiegler, A.L, Draheim, K.M, Li, X, Chayen, N.E, Calderwood, D.A, Boggon, T.J. | | Deposit date: | 2012-03-27 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for paxillin binding and focal adhesion targeting of beta-parvin.
J.Biol.Chem., 287, 2012
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4E7N
 | | Crystal Structure of AhV_TL-I, a Glycosylated Snake-venom Thrombin-like Enzyme from Agkistrodon halys | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Snake-venom Thrombin-like Enzyme | | Authors: | Zeng, F, Li, X, Teng, M, Niu, L. | | Deposit date: | 2012-03-18 | | Release date: | 2012-04-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of AhV_TL-I, a Glycosylated Snake-venom Thrombin-like Enzyme from Agkistrodon halys
to be published
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