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6U9I
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Crystal structure of BvnE pinacolase from Penicillium brevicompactum
分子名称: BvnE, DI(HYDROXYETHYL)ETHER, GLYCEROL
著者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.
登録日2019-09-09
公開日2020-09-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.777 Å)
主引用文献Fungal-derived brevianamide assembly by a stereoselective semipinacolase.
Nat Catal, 3, 2020
6LOJ
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BU of 6loj by Molmil
The complex structure of IpaH9.8-LRR and hGBP1
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 1, Invasion plasmid antigen
著者Ye, Y, Huang, H.
登録日2020-01-06
公開日2020-12-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.72 Å)
主引用文献Substrate-binding destabilizes the hydrophobic cluster to relieve the autoinhibition of bacterial ubiquitin ligase IpaH9.8.
Commun Biol, 3, 2020
6LOL
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BU of 6lol by Molmil
The crystal structure of full length IpaH9.8
分子名称: E3 ubiquitin-protein ligase ipaH9.8
著者Ye, Y, Huang, H.
登録日2020-01-06
公開日2020-12-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Substrate-binding destabilizes the hydrophobic cluster to relieve the autoinhibition of bacterial ubiquitin ligase IpaH9.8.
Commun Biol, 3, 2020
5AYE
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BU of 5aye by Molmil
Crystal structure of Ruminococcus albus beta-(1,4)-mannooligosaccharide phosphorylase (RaMP2) in complexes with phosphate and beta-(1,4)-mannobiose
分子名称: Beta-1,4-mannooligosaccharide phosphorylase, PHOSPHATE ION, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
著者Ye, Y, Saburi, W, Kato, K, Yao, M.
登録日2015-08-13
公開日2016-03-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into the difference in substrate recognition of two mannoside phosphorylases from two GH130 subfamilies.
Febs Lett., 590, 2016
5AYD
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Crystal structure of Ruminococcus albus beta-(1,4)-mannooligosaccharide phosphorylase (RaMP2) in complexes with phosphate
分子名称: Beta-1,4-mannooligosaccharide phosphorylase, PHOSPHATE ION
著者Ye, Y, Saburi, W, Kato, K, Yao, M.
登録日2015-08-13
公開日2016-03-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the difference in substrate recognition of two mannoside phosphorylases from two GH130 subfamilies.
Febs Lett., 590, 2016
5AY9
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Crystal structure of Ruminococcus albus 4-O-beta-D-mannosyl-D-glucose phosphorylase (RaMP1)
分子名称: 4-O-beta-D-mannosyl-D-glucose phosphorylase
著者Ye, Y, Saburi, W, Kato, K, Yao, M.
登録日2015-08-11
公開日2016-03-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into the difference in substrate recognition of two mannoside phosphorylases from two GH130 subfamilies
Febs Lett., 590, 2016
5AYC
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BU of 5ayc by Molmil
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
分子名称: 4-O-beta-D-mannosyl-D-glucose phosphorylase, SULFATE ION, beta-D-mannopyranose-(1-4)-beta-D-glucopyranose
著者Ye, Y, Saburi, W, Kato, K, Yao, M.
登録日2015-08-13
公開日2016-03-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the difference in substrate recognition of two mannoside phosphorylases from two GH130 subfamilies.
Febs Lett., 590, 2016
2Y5B
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BU of 2y5b by Molmil
Structure of USP21 in complex with linear diubiquitin-aldehyde
分子名称: SULFATE ION, UBIQUITIN, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE 21, ...
著者Ye, Y, Akutsu, M, Reyes-Turcu, F, Enchev, R.I, Wilkinson, K.D, Komander, D.
登録日2011-01-12
公開日2012-01-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Polyubiquitin Binding and Cross-Reactivity in the Usp Domain Deubiquitinase Usp21.
Embo Rep., 12, 2011
3PHX
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BU of 3phx by Molmil
OTU Domain of Crimean Congo Hemorrhagic Fever Virus in complex with ISG15
分子名称: ACETIC ACID, ETHANAMINE, RNA-directed RNA polymerase L, ...
著者Akutsu, M, Ye, Y, Virdee, S, Komander, D.
登録日2010-11-04
公開日2011-02-02
最終更新日2014-08-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis for ubiquitin and ISG15 cross-reactivity in viral ovarian tumor domains.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PHU
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BU of 3phu by Molmil
OTU Domain of Crimean Congo Hemorrhagic Fever Virus
分子名称: GLYCEROL, RNA-directed RNA polymerase L
著者Akutsu, M, Ye, Y, Virdee, S, Komander, D.
登録日2010-11-04
公開日2011-02-02
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis for ubiquitin and ISG15 cross-reactivity in viral ovarian tumor domains.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PHW
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BU of 3phw by Molmil
OTU Domain of Crimean Congo Hemorrhagic Fever Virus in complex with Ubiquitin
分子名称: ETHANAMINE, RNA-directed RNA polymerase L, Ubiquitin-40S ribosomal protein S27a
著者Akutsu, M, Ye, Y, Virdee, S, Komander, D.
登録日2010-11-04
公開日2011-02-02
最終更新日2014-08-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for ubiquitin and ISG15 cross-reactivity in viral ovarian tumor domains.
Proc.Natl.Acad.Sci.USA, 108, 2011
6GQJ
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Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 18)
分子名称: 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
著者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.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献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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Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 18)
分子名称: 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
著者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.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献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)
分子名称: Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
著者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.
登録日2018-06-07
公開日2018-09-19
最終更新日2018-10-31
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献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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Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229
分子名称: 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
著者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.
登録日2018-06-07
公開日2018-09-19
最終更新日2018-10-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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)
分子名称: 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
著者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.
登録日2018-06-07
公開日2018-09-19
最終更新日2018-10-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献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)
分子名称: Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
著者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.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献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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Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35)
分子名称: 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
著者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.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献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
3L8B
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BU of 3l8b by Molmil
Crystal structure of a replicative DNA polymerase bound to the oxidized guanine lesion guanidinohydantoin
分子名称: 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, ...
著者Aller, P, Ye, Y, Wallace, S.S, Burrows, C.J, Doublie, S.
登録日2009-12-30
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of a replicative DNA polymerase bound to the oxidized guanine lesion guanidinohydantoin.
Biochemistry, 49, 2010
8I0M
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BU of 8i0m by Molmil
Structure of CDK6 in complex with inhibitor
分子名称: 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6
著者Jiang, C, Ye, Y, Huang, Y.
登録日2023-01-11
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.7772 Å)
主引用文献Structure of CDK6 in complex with inhibitor
To Be Published
8I0L
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Structure of CDK9/cyclin T1 in complex with inhibitor
分子名称: 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-T1, Cyclin-dependent kinase 9
著者Jiang, C, Ye, Y, Huang, Y.
登録日2023-01-11
公開日2024-01-24
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure of CDK9/cyclin T1 in complex with inhibitor
To Be Published
4GGG
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BU of 4ggg by Molmil
Crystal structure of V66A/L68V CzrA in the Zn(II)bound state.
分子名称: CHLORIDE ION, Repressor protein, ZINC ION
著者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.
登録日2012-08-06
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Allosteric inhibition of a zinc-sensing transcriptional repressor: insights into the arsenic repressor (ArsR) family.
J.Mol.Biol., 425, 2013
1T6W
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BU of 1t6w by Molmil
RATIONAL DESIGN OF A CALCIUM-BINDING ADHESION PROTEIN NMR, 20 STRUCTURES
分子名称: CALCIUM ION, hypothetical protein XP_346638
著者Yang, W, Wilkins, A.L, Ye, Y, Liu, Z.-R, Urbauer, J.L, Kearney, A, van der Merwe, P.A, Yang, J.J.
登録日2004-05-07
公開日2005-02-15
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献Design of a calcium-binding protein with desired structure in a cell adhesion molecule.
J.Am.Chem.Soc., 127, 2005
4AE4
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BU of 4ae4 by Molmil
The UBAP1 subunit of ESCRT-I interacts with ubiquitin via a novel SOUBA domain
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, POTASSIUM ION, ...
著者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.
登録日2012-01-06
公開日2012-03-21
最終更新日2018-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The UBAP1 subunit of ESCRT-I interacts with ubiquitin via a SOUBA domain.
Structure, 20, 2012
8E22
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VPS37A_21-148
分子名称: Vacuolar protein sorting-associated protein 37A
著者Tian, F, Ye, Y.S.
登録日2022-08-12
公開日2023-08-09
最終更新日2024-04-03
実験手法SOLUTION NMR
主引用文献Identification of membrane curvature sensing motifs essential for VPS37A phagophore recruitment and autophagosome closure
Commun Biol, 7, 2024

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