6U9I
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![BU of 6u9i by Molmil](/molmil-images/mine/6u9i) | Crystal structure of BvnE pinacolase from Penicillium brevicompactum | Descriptor: | BvnE, DI(HYDROXYETHYL)ETHER, GLYCEROL | Authors: | Ye, Y, Du, L, Zhang, X, Newmister, S.A, McCauley, M, Alegre-Requena, J.V, Zhang, W, Mu, S, Minami, A, Fraley, A.E, Adrover-Castellano, M.L, Carney, N, Shende, V.V, Oikawa, H, Kato, H, Tsukamoto, S, Paton, R.S, Williams, R.M, Sherman, D.H, Li, S. | Deposit date: | 2019-09-09 | Release date: | 2020-09-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.777 Å) | Cite: | Fungal-derived brevianamide assembly by a stereoselective semipinacolase. Nat Catal, 3, 2020
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6LOJ
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![BU of 6loj by Molmil](/molmil-images/mine/6loj) | The complex structure of IpaH9.8-LRR and hGBP1 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 1, Invasion plasmid antigen | Authors: | Ye, Y, Huang, H. | Deposit date: | 2020-01-06 | Release date: | 2020-12-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.72 Å) | Cite: | Substrate-binding destabilizes the hydrophobic cluster to relieve the autoinhibition of bacterial ubiquitin ligase IpaH9.8. Commun Biol, 3, 2020
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6LOL
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![BU of 6lol by Molmil](/molmil-images/mine/6lol) | The crystal structure of full length IpaH9.8 | Descriptor: | E3 ubiquitin-protein ligase ipaH9.8 | Authors: | Ye, Y, Huang, H. | Deposit date: | 2020-01-06 | Release date: | 2020-12-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Substrate-binding destabilizes the hydrophobic cluster to relieve the autoinhibition of bacterial ubiquitin ligase IpaH9.8. Commun Biol, 3, 2020
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5AYE
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![BU of 5aye by Molmil](/molmil-images/mine/5aye) | Crystal structure of Ruminococcus albus beta-(1,4)-mannooligosaccharide phosphorylase (RaMP2) in complexes with phosphate and beta-(1,4)-mannobiose | Descriptor: | Beta-1,4-mannooligosaccharide phosphorylase, PHOSPHATE ION, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | Authors: | Ye, Y, Saburi, W, Kato, K, Yao, M. | Deposit date: | 2015-08-13 | Release date: | 2016-03-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into the difference in substrate recognition of two mannoside phosphorylases from two GH130 subfamilies. Febs Lett., 590, 2016
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5AYD
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![BU of 5ayd by Molmil](/molmil-images/mine/5ayd) | Crystal structure of Ruminococcus albus beta-(1,4)-mannooligosaccharide phosphorylase (RaMP2) in complexes with phosphate | Descriptor: | Beta-1,4-mannooligosaccharide phosphorylase, PHOSPHATE ION | Authors: | Ye, Y, Saburi, W, Kato, K, Yao, M. | Deposit date: | 2015-08-13 | Release date: | 2016-03-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into the difference in substrate recognition of two mannoside phosphorylases from two GH130 subfamilies. Febs Lett., 590, 2016
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5AYC
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![BU of 5ayc by Molmil](/molmil-images/mine/5ayc) | Crystal structure of Ruminococcus albus 4-O-beta-D-mannosyl-D-glucose phosphorylase (RaMP1) in complexes with sulfate and 4-O-beta-D-mannosyl-D-glucose | Descriptor: | 4-O-beta-D-mannosyl-D-glucose phosphorylase, SULFATE ION, beta-D-mannopyranose-(1-4)-beta-D-glucopyranose | Authors: | Ye, Y, Saburi, W, Kato, K, Yao, M. | Deposit date: | 2015-08-13 | Release date: | 2016-03-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the difference in substrate recognition of two mannoside phosphorylases from two GH130 subfamilies. Febs Lett., 590, 2016
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5AY9
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![BU of 5ay9 by Molmil](/molmil-images/mine/5ay9) | |
2Y5B
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![BU of 2y5b by Molmil](/molmil-images/mine/2y5b) | Structure of USP21 in complex with linear diubiquitin-aldehyde | Descriptor: | SULFATE ION, UBIQUITIN, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE 21, ... | Authors: | Ye, Y, Akutsu, M, Reyes-Turcu, F, Enchev, R.I, Wilkinson, K.D, Komander, D. | Deposit date: | 2011-01-12 | Release date: | 2012-01-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Polyubiquitin Binding and Cross-Reactivity in the Usp Domain Deubiquitinase Usp21. Embo Rep., 12, 2011
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6GQJ
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![BU of 6gqj by Molmil](/molmil-images/mine/6gqj) | 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
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6GQO
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![BU of 6gqo by Molmil](/molmil-images/mine/6gqo) | 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
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6GQM
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![BU of 6gqm by Molmil](/molmil-images/mine/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: | 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
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6GQK
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![BU of 6gqk by Molmil](/molmil-images/mine/6gqk) | 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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6GQP
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![BU of 6gqp by Molmil](/molmil-images/mine/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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6GQL
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![BU of 6gql by Molmil](/molmil-images/mine/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: | 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
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6GQQ
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![BU of 6gqq by Molmil](/molmil-images/mine/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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4GGG
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![BU of 4ggg by Molmil](/molmil-images/mine/4ggg) | Crystal structure of V66A/L68V CzrA in the Zn(II)bound state. | Descriptor: | CHLORIDE ION, Repressor protein, ZINC ION | Authors: | Campanello, G.C, Ma, Z, Grossoehme, N.E, Chakrovorty, D.K, Guerra, A.J, Ye, Y, Dann III, C.E, Merz Jr, K.M, Giedroc, D.P. | Deposit date: | 2012-08-06 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Allosteric inhibition of a zinc-sensing transcriptional repressor: insights into the arsenic repressor (ArsR) family. J.Mol.Biol., 425, 2013
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3L8B
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![BU of 3l8b by Molmil](/molmil-images/mine/3l8b) | Crystal structure of a replicative DNA polymerase bound to the oxidized guanine lesion guanidinohydantoin | Descriptor: | DNA (5'-D(*AP*C*TP*(G35)P*TP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*A)-3'), DNA polymerase, ... | Authors: | Aller, P, Ye, Y, Wallace, S.S, Burrows, C.J, Doublie, S. | Deposit date: | 2009-12-30 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of a replicative DNA polymerase bound to the oxidized guanine lesion guanidinohydantoin. Biochemistry, 49, 2010
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3PHU
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![BU of 3phu by Molmil](/molmil-images/mine/3phu) | OTU Domain of Crimean Congo Hemorrhagic Fever Virus | Descriptor: | GLYCEROL, RNA-directed RNA polymerase L | Authors: | Akutsu, M, Ye, Y, Virdee, S, Komander, D. | Deposit date: | 2010-11-04 | Release date: | 2011-02-02 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis for ubiquitin and ISG15 cross-reactivity in viral ovarian tumor domains. Proc.Natl.Acad.Sci.USA, 108, 2011
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3PHX
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![BU of 3phx by Molmil](/molmil-images/mine/3phx) | OTU Domain of Crimean Congo Hemorrhagic Fever Virus in complex with ISG15 | Descriptor: | ACETIC ACID, ETHANAMINE, RNA-directed RNA polymerase L, ... | Authors: | Akutsu, M, Ye, Y, Virdee, S, Komander, D. | Deposit date: | 2010-11-04 | Release date: | 2011-02-02 | Last modified: | 2014-08-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis for ubiquitin and ISG15 cross-reactivity in viral ovarian tumor domains. Proc.Natl.Acad.Sci.USA, 108, 2011
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3PHW
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![BU of 3phw by Molmil](/molmil-images/mine/3phw) | OTU Domain of Crimean Congo Hemorrhagic Fever Virus in complex with Ubiquitin | Descriptor: | ETHANAMINE, RNA-directed RNA polymerase L, Ubiquitin-40S ribosomal protein S27a | Authors: | Akutsu, M, Ye, Y, Virdee, S, Komander, D. | Deposit date: | 2010-11-04 | Release date: | 2011-02-02 | Last modified: | 2014-08-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for ubiquitin and ISG15 cross-reactivity in viral ovarian tumor domains. Proc.Natl.Acad.Sci.USA, 108, 2011
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8I0L
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![BU of 8i0l by Molmil](/molmil-images/mine/8i0l) | Structure of CDK9/cyclin T1 in complex with inhibitor | Descriptor: | 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-T1, Cyclin-dependent kinase 9 | Authors: | Jiang, C, Ye, Y, Huang, Y. | Deposit date: | 2023-01-11 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure of CDK9/cyclin T1 in complex with inhibitor To Be Published
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8I0M
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![BU of 8i0m by Molmil](/molmil-images/mine/8i0m) | Structure of CDK6 in complex with inhibitor | Descriptor: | 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6 | Authors: | Jiang, C, Ye, Y, Huang, Y. | Deposit date: | 2023-01-11 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7772 Å) | Cite: | Structure of CDK6 in complex with inhibitor To Be Published
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1T6W
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![BU of 1t6w by Molmil](/molmil-images/mine/1t6w) | RATIONAL DESIGN OF A CALCIUM-BINDING ADHESION PROTEIN NMR, 20 STRUCTURES | Descriptor: | CALCIUM ION, hypothetical protein XP_346638 | Authors: | Yang, W, Wilkins, A.L, Ye, Y, Liu, Z.-R, Urbauer, J.L, Kearney, A, van der Merwe, P.A, Yang, J.J. | Deposit date: | 2004-05-07 | Release date: | 2005-02-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Design of a calcium-binding protein with desired structure in a cell adhesion molecule. J.Am.Chem.Soc., 127, 2005
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4AE4
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![BU of 4ae4 by Molmil](/molmil-images/mine/4ae4) | The UBAP1 subunit of ESCRT-I interacts with ubiquitin via a novel SOUBA domain | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, POTASSIUM ION, ... | Authors: | Agromayor, M, Soler, N, Caballe, A, Kueck, T, Freund, S.M, Allen, M.D, Bycroft, M, Perisic, O, Ye, Y, McDonald, B, Scheel, H, Hofmann, K, Neil, S.J.D, Martin-Serrano, J, Williams, R.L. | Deposit date: | 2012-01-06 | Release date: | 2012-03-21 | Last modified: | 2018-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The UBAP1 subunit of ESCRT-I interacts with ubiquitin via a SOUBA domain. Structure, 20, 2012
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8E22
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![BU of 8e22 by Molmil](/molmil-images/mine/8e22) | VPS37A_21-148 | Descriptor: | Vacuolar protein sorting-associated protein 37A | Authors: | Tian, F, Ye, Y.S. | Deposit date: | 2022-08-12 | Release date: | 2023-08-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Identification of membrane curvature sensing motifs essential for VPS37A phagophore recruitment and autophagosome closure. Commun Biol, 7, 2024
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