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6U9I
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BU of 6u9i by Molmil
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
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
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
6LOJ
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BU of 6loj by Molmil
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
6LOL
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BU of 6lol by Molmil
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
5AYD
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BU of 5ayd by Molmil
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
5AY9
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BU of 5ay9 by Molmil
Crystal structure of Ruminococcus albus 4-O-beta-D-mannosyl-D-glucose phosphorylase (RaMP1)
Descriptor: 4-O-beta-D-mannosyl-D-glucose phosphorylase
Authors:Ye, Y, Saburi, W, Kato, K, Yao, M.
Deposit date:2015-08-11
Release date:2016-03-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
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
2Y5B
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BU of 2y5b by Molmil
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
3PHX
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BU of 3phx by Molmil
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
3PHU
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BU of 3phu by Molmil
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
3PHW
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BU of 3phw by Molmil
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
3L8B
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BU of 3l8b by Molmil
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
4GGG
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BU of 4ggg by Molmil
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
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:2018-10-31
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: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
6GQP
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BU of 6gqp by Molmil
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
6GQL
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BU of 6gql by Molmil
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
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
8I0M
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BU of 8i0m by Molmil
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
8I0L
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BU of 8i0l by Molmil
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
1T6W
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BU of 1t6w by Molmil
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:2021-10-27
Method:SOLUTION NMR
Cite: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
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
8FKM
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BU of 8fkm by Molmil
Human Atg3 with deletions of residues 1 to 25 and 90 to 190
Descriptor: Ubiquitin-like-conjugating enzyme ATG3
Authors:Ye, Y.S, Tian, F.
Deposit date:2022-12-21
Release date:2023-09-13
Method:SOLUTION NMR
Cite:Multifaceted membrane interactions of human Atg3 promote LC3-phosphatidylethanolamine conjugation during autophagy
Nat Commun, 14, 2023

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