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5D8X
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BU of 5d8x by Molmil
1.50A resolution structure of BfrB (L68A E81A) from Pseudomonas aeruginosa
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Ferroxidase, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-18
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8O
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BU of 5d8o by Molmil
1.90A resolution structure of BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa
分子名称: Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8Y
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BU of 5d8y by Molmil
2.05A resolution structure of iron bound BfrB (L68A E81A) from Pseudomonas aeruginosa
分子名称: ACETATE ION, FE (II) ION, Ferroxidase, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-18
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
3ZG6
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BU of 3zg6 by Molmil
The novel de-long chain fatty acid function of human sirt6
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-6, ...
著者Wang, Y, Hao, Q.
登録日2012-12-15
公開日2013-04-03
最終更新日2013-04-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sirt6 Regulates Tnf-Alpha Secretion Through Hydrolysis of Long-Chain Fatty Acyl Lysine
Nature, 496, 2013
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
3I2E
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BU of 3i2e by Molmil
Crystal structure of human dimethylarginine dymethylaminohydrolase-1 (DDAH-1)
分子名称: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1
著者Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Robertus, J.D, Fast, W.
登録日2009-06-29
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide.
Biochemistry, 48, 2009
3I4A
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BU of 3i4a by Molmil
Crystal structure of dimethylarginine dimethylaminohydrolase-1 (DDAH-1) in complex with N5-(1-iminopropyl)-L-ornithine
分子名称: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N5-(1-iminopropyl)-L-ornithine
著者Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Fast, W, Robertus, J.D.
登録日2009-07-01
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide.
Biochemistry, 48, 2009
2R6W
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BU of 2r6w by Molmil
Estrogen receptor alpha ligand-binding domain complexed to a SERM
分子名称: Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone
著者Wang, Y.
登録日2007-09-06
公開日2008-04-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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
6J76
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BU of 6j76 by Molmil
Structure of 3,6-anhydro-L-galactose Dehydrogenase in Complex with NAP
分子名称: Aldehyde dehydrogenase A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
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 (2.368 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
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
4J1R
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BU of 4j1r by Molmil
Crystal Structure of GSK3b in complex with inhibitor 15R
分子名称: (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION, ...
著者Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-02-01
公開日2013-03-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
4J71
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BU of 4j71 by Molmil
Crystal Structure of GSK3b in complex with inhibitor 1R
分子名称: (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ...
著者Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-02-12
公開日2013-03-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
6KG6
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BU of 6kg6 by Molmil
Crystal structure of MavC/UBE2N-Ub complex
分子名称: MavC, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 N
著者Wang, Y, Huang, Y, Chang, M, Feng, Y.
登録日2019-07-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC.
Nat Commun, 11, 2020
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
6AEJ
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BU of 6aej by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
分子名称: (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
著者Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
登録日2018-08-05
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
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
7BXG
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BU of 7bxg by Molmil
MavC-UBE2N-Ub complex
分子名称: MavC, Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 N
著者Gao, P, Wang, Y.
登録日2020-04-19
公開日2020-05-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors.
Nat Commun, 11, 2020
7BXH
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BU of 7bxh by Molmil
MavC-Lpg2149 complex
分子名称: Lpg2149, MavC
著者Gao, P, Wang, Y.
登録日2020-04-19
公開日2020-05-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors.
Nat Commun, 11, 2020
6NOD
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BU of 6nod by Molmil
Crystal structure of C. elegans PUF-8 in complex with RNA
分子名称: PUF (Pumilio/FBF) domain-containing, RNA (5'-R(P*UP*GP*UP*AP*UP*AP*UP*A)-3')
著者Wang, Y, McCann, K.L, Qiu, C, Hall, T.M.T.
登録日2019-01-16
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.547 Å)
主引用文献Engineering a conserved RNA regulatory protein repurposes its biological function in vivo .
Elife, 8, 2019
5YVE
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BU of 5yve by Molmil
Crystal structure of human P2X3 receptor in complex with the AF-219 negative allosteric modulator
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide, MAGNESIUM ION, ...
著者Wang, Y, Hattori, M.
登録日2017-11-25
公開日2018-04-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Druggable negative allosteric site of P2X3 receptors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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
4P6G
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BU of 4p6g by Molmil
Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor.
分子名称: (3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate, Cathepsin S
著者Wang, Y, Jadhav, P.K.
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 (1.58 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
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
7ESI
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BU of 7esi by Molmil
Crystal structure of the collagenase unit of a Vibrio collagenase from Vibrio harveyi VHJR7 at 1. 8 angstrom resolution.
分子名称: CALCIUM ION, Collagenase unit (CU), Peptide P1, ...
著者Cao, H.Y, Wang, Y, Peng, M, Zhang, Y.Z.
登録日2021-05-11
公開日2022-02-09
最終更新日2023-02-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of Vibrio collagenase VhaC provides insight into the mechanism of bacterial collagenolysis.
Nat Commun, 13, 2022

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