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4P6E
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BU of 4p6e by Molmil
Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor
分子名称: Cathepsin S, N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide, SULFATE ION
著者Wang, Y, Jadhav, P.K, Deng, G.G.
登録日2014-03-24
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014
5FNV
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BU of 5fnv by Molmil
a new complex structure of tubulin with an alpha-beta unsaturated lactone
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wang, Y, Naismith, J, Zhu, X.
登録日2015-11-16
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Pironetin Reacts Covalently with Cysteine-316 of Alpha-Tubulin to Destabilize Microtubule.
Nat.Commun., 7, 2016
5Y03
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BU of 5y03 by Molmil
Galectin-13/Placental Protein 13 variant R53H crystal structure
分子名称: Galactoside-binding soluble lectin 13
著者Wang, Y, Su, J.
登録日2017-07-14
公開日2018-01-31
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138.
Sci Rep, 8, 2018
2Q70
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BU of 2q70 by Molmil
Estrogen receptor alpha ligand-binding domain complxed to a benzopyran ligand
分子名称: (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor
著者Wang, Y.
登録日2007-06-05
公開日2007-08-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification.
Bioorg.Med.Chem.Lett., 17, 2007
5IY4
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BU of 5iy4 by Molmil
Crystal structure of human PCNA in complex with the PIP box of DVC1
分子名称: DVC1 PIP box, Proliferating cell nuclear antigen
著者Jiang, T, Xu, M, Wang, Y.
登録日2016-03-24
公開日2016-06-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.945 Å)
主引用文献Crystal structure of human PCNA in complex with the PIP box of DVC1
Biochem.Biophys.Res.Commun., 474, 2016
7DET
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BU of 7det by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
著者Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-05
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
5K13
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BU of 5k13 by Molmil
Crystal structure of the RAR alpha ligand-binding domain in complex with an antagonist
分子名称: 4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1H-pyrazol-3-yl}benzoic acid, Retinoic acid receptor alpha
著者Wang, Y, Stout, S.L.
登録日2016-05-17
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of potent and selective retinoic acid receptor gamma (RAR gamma ) antagonists for the treatment of osteoarthritis pain using structure based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
4M8N
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BU of 4m8n by Molmil
Crystal Structure of PlexinC1/Rap1B Complex
分子名称: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Pascoe, H.G, Wang, Y, Brautigam, C.A, He, H, Zhang, X.
登録日2013-08-13
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.294 Å)
主引用文献Structural basis for activation and non-canonical catalysis of the Rap GTPase activating protein domain of plexin.
Elife, 2, 2013
5V39
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BU of 5v39 by Molmil
Crystal structure of human vitamin D receptor ligand binding domain in complex with a VDRM
分子名称: 5-(3-{4-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-3-methyl-N-(1H-tetrazol-5-yl)thiophene-2-carboxamide, Vitamin D3 receptor
著者Wang, Y, Pelletier, L.
登録日2017-03-06
公開日2018-03-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献HDX reveals the conformational dynamics of DNA sequence specific VDR co-activator interactions.
Nat Commun, 8, 2017
6J75
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BU of 6j75 by Molmil
Structure of 3,6-anhydro-L-galactose Dehydrogenase
分子名称: Aldehyde dehydrogenase A
著者Li, P.Y, Wang, Y, Chen, X.L, Zhang, Y.Z.
登録日2019-01-17
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献3,6-Anhydro-L-Galactose Dehydrogenase VvAHGD is a Member of a New Aldehyde Dehydrogenase Family and Catalyzes by a Novel Mechanism with Conformational Switch of Two Catalytic Residues Cysteine 282 and Glutamate 248.
J.Mol.Biol., 432, 2020
3QGC
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BU of 3qgc by Molmil
Crystal structure of FBF-2 R288Y mutant in complex with gld-1 FBEa A7U mutant
分子名称: 5'-R(*UP*GP*UP*GP*CP*CP*UP*UP*A)-3', Fem-3 mRNA-binding factor 2
著者Wang, Y, Qiu, C, Koh, Y.Y, Opperman, L, Gross, L, Hall, T.M.T, Wickens, M.
登録日2011-01-24
公開日2011-03-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Stacking interactions in PUF-RNA complexes.
Rna, 17, 2011
3QGB
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BU of 3qgb by Molmil
Crystal structure of FBF-2 R288Y mutant in complex with gld-1 FBEa
分子名称: 5'-R(*UP*GP*UP*GP*CP*CP*AP*UP*A)-3', Fem-3 mRNA-binding factor 2
著者Wang, Y, Qiu, C, Koh, Y.Y, Opperman, L, Gross, L, Hall, T.M.T, Wickens, M.
登録日2011-01-24
公開日2011-03-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Stacking interactions in PUF-RNA complexes.
Rna, 17, 2011
5DMK
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BU of 5dmk by Molmil
Crystal Structure of IAg7 in complex with RLGL-WE14
分子名称: CITRATE ANION, H-2 class II histocompatibility antigen, A-D alpha chain, ...
著者Wang, Y, Jin, N, Dai, S, Kappler, J.W.
登録日2015-09-08
公開日2015-10-28
最終更新日2016-04-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献N-terminal additions to the WE14 peptide of chromogranin A create strong autoantigen agonists in type 1 diabetes.
Proc.Natl.Acad.Sci.USA, 112, 2015
8HJ4
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BU of 8hj4 by Molmil
CryoEM structure of an anti-CRISPR protein AcrIIC5 bound to Nme1Cas9-sgRNA complex
分子名称: CRISPR-associated endonuclease Cas9, Phage protein, sgRNA
著者Wang, Y, Sun, W.
登録日2022-11-22
公開日2023-01-25
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Anti-CRISPR AcrIIC5 is a dsDNA mimic that inhibits type II-C Cas9 effectors by blocking PAM recognition.
Nucleic Acids Res., 51, 2023
5G4C
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BU of 5g4c by Molmil
Human SIRT2 catalyse short chain fatty acyl lysine
分子名称: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, SIRT2, ...
著者Wang, Y.
登録日2016-05-09
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献SIRT2 Reverses 4-Oxononanoyl Lysine Modification on Histones.
J. Am. Chem. Soc., 138, 2016
6KZD
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BU of 6kzd by Molmil
Crystal structure of TRKc in complex with 3-((6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl)ethynyl)- N-(3-isopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-2- methylbenzamide
分子名称: 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide, NT-3 growth factor receptor, PHOSPHATE ION
著者Wang, Y, Zhang, Z.M.
登録日2019-09-23
公開日2019-10-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.708 Å)
主引用文献Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors.
Eur.J.Med.Chem., 179, 2019
7JOF
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BU of 7jof by Molmil
Calcium-bound C2A Domain from Human Dysferlin
分子名称: CALCIUM ION, Isoform 6 of Dysferlin
著者Tadayon, R, Wang, Y, Santamaria, L, Mercier, P, Forristal, C, Shaw, G.S.
登録日2020-08-06
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Calcium binds and rigidifies the dysferlin C2A domain in a tightly coupled manner.
Biochem.J., 478, 2021
4EEV
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BU of 4eev by Molmil
Crystal structure of c-Met in complex with LY2801653
分子名称: Hepatocyte growth factor receptor, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
著者Wang, Y, Stout, S.L.
登録日2012-03-28
公開日2013-04-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献LY2801653 is an orally bioavailable multi-kinase inhibitor with potent activity against MET, MST1R, and other oncoproteins, and displays anti-tumor activities in mouse xenograft models.
Invest New Drugs, 31, 2013
4P5M
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BU of 4p5m by Molmil
Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between Allergic Hypersensitivity and Autoimmunity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, Y, Dai, S, Kappler, J.
登録日2014-03-18
公開日2014-08-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Cell, 158, 2014
4PFC
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BU of 4pfc by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor
分子名称: Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
著者Wang, Y, Guo, S.
登録日2014-04-28
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
4PF9
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BU of 4pf9 by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor
分子名称: Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate
著者Wang, Y, Guo, S.
登録日2014-04-28
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
4PFJ
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BU of 4pfj by Molmil
The structure of bi-acetylated SAHH
分子名称: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Kavran, J.M, Wang, Y, Cole, P.A, Leahy, D.J.
登録日2014-04-29
公開日2014-10-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Regulation of s-adenosylhomocysteine hydrolase by lysine acetylation.
J.Biol.Chem., 289, 2014
4PGF
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BU of 4pgf by Molmil
The structure of mono-acetylated SAHH
分子名称: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Kavran, J.M, Wang, Y, Cole, P.A, Leahy, D.J.
登録日2014-05-01
公開日2014-10-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Regulation of s-adenosylhomocysteine hydrolase by lysine acetylation.
J.Biol.Chem., 289, 2014
4PES
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BU of 4pes by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor tert-butyl [(2S)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
分子名称: Ala-Ala-Ala, Insulin-degrading enzyme, ZINC ION, ...
著者Wang, Y, Guo, S.
登録日2014-04-24
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of IDE complexed with an inhibitor
To Be Published
4PF7
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BU of 4pf7 by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor
分子名称: (2S)-2-amino-N-{(1S)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide, Insulin-degrading enzyme, ZINC ION
著者Wang, Y, Guo, S.
登録日2014-04-28
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015

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