6VOE
 
 | | HIV-1 wild type protease with GRL-019-17A, a tricyclic cyclohexane fused tetrahydrofuranofuran (CHf-THF) derivative as the P2 ligand and a aminobenzothiazole(Abt)-based P2'-ligand | | 分子名称: | (1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate, ACETATE ION, CHLORIDE ION, ... | | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | 登録日 | 2020-01-30 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies.
J.Med.Chem., 63, 2020
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6JOH
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8K1M
 | | mycobacterial efflux pump, apo state | | 分子名称: | (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CARDIOLIPIN, Multidrug efflux system ATP-binding protein Rv1218c, ... | | 著者 | Wang, Y, Wu, F, Zhang, L, Rao, Z. | | 登録日 | 2023-07-11 | | 公開日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | mycobacterial efflux pump, apo state
To Be Published
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6W78
 | | crystal structure of a plant ice-binding protein | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antifreeze polypeptide | | 著者 | Wang, Y.N, Zhang, H.Q. | | 登録日 | 2020-03-18 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.311 Å) | | 主引用文献 | Carrot 'antifreeze' protein has an irregular ice-binding site that confers weak freezing point depression but strong inhibition of ice recrystallization.
Biochem.J., 477, 2020
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6VCE
 | | HIV-1 wild type protease with GRL-026-18A, a crown-like tetrahydropyranotetrahydrofuran with a bridged methylene group as a P2 ligand | | 分子名称: | CHLORIDE ION, GLYCEROL, N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3S,3aR,5S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide, ... | | 著者 | Wang, Y.-F, Kneller, D.W, Weber, I.T. | | 登録日 | 2019-12-20 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Design, Synthesis, and X-ray Studies of Potent HIV-1 Protease Inhibitors with P2-Carboxamide Functionalities.
Acs Med.Chem.Lett., 11, 2020
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6VOD
 | | HIV-1 wild type protease with GRL-052-16A, a tricyclic cyclohexane fused tetrahydrofuranofuran (CHf-THF) derivative as the P2 ligand | | 分子名称: | (1R,3aS,5R,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | 登録日 | 2020-01-30 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies.
J.Med.Chem., 63, 2020
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1G2H
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7YPU
 | | OrfE-CoA-glycylthricin complex | | 分子名称: | Acetyltransferase, COENZYME A, [(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(2-azanylethanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate | | 著者 | Wang, Y.L, Li, T.L. | | 登録日 | 2022-08-04 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.357 Å) | | 主引用文献 | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
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5YKS
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5Y7L
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6L2W
 | | Crystal structure of a novel fold protein Gp72 from the freshwater cyanophage Mic1 | | 分子名称: | freshwater cyanophage protein | | 著者 | Wang, Y, Jin, H, Yang, F, Jiang, Y.L, Zhao, Y.Y, Chen, Z.P, Li, W.F, Chen, Y, Zhou, C.Z, Li, Q. | | 登録日 | 2019-10-07 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Crystal structure of a novel fold protein Gp72 from the freshwater cyanophage Mic1.
Proteins, 88, 2020
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8WJY
 | | PKMYT1_Cocrystal_Cpd 4 | | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | | 著者 | Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A. | | 登録日 | 2023-09-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Discovery of Tetrahydropyrazolopyrazine Derivatives as Potent and Selective MYT1 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 67, 2024
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8E9E
 | | Rat protein farnesyltransferase in complex with FPP and inhibitor 2f | | 分子名称: | (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Wang, Y, Shi, Y, Beese, L.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-10-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.844 Å) | | 主引用文献 | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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201D
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5IJC
 | | The crystal structure of mouse TLR4/MD-2/neoseptin-3 complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte antigen 96, ... | | 著者 | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | | 登録日 | 2016-03-01 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1M2S
 | | Solution Structure of A New Potassium Channels Blocker from the Venom of Chinese Scorpion Buthus martensi Karsch | | 分子名称: | Toxin BmTX3 | | 著者 | Wang, Y, Li, M, Zhang, N, Wu, G, Hu, G, Wu, H. | | 登録日 | 2002-06-25 | | 公開日 | 2004-04-06 | | 最終更新日 | 2024-11-06 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The solution structure of BmTx3B, a member of the scorpion toxin subfamily alpha-KTx 16
Proteins, 58, 2005
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4U8W
 | | HIV-1 wild Type protease with GRL-050-10A (a Gem-difluoro-bis-Tetrahydrofuran as P2-Ligand) | | 分子名称: | (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | 登録日 | 2014-08-05 | | 公開日 | 2014-11-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Design of gem-Difluoro-bis-Tetrahydrofuran as P2 Ligand for HIV-1 Protease Inhibitors to Improve Brain Penetration: Synthesis, X-ray Studies, and Biological Evaluation.
Chemmedchem, 10, 2015
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8Z9Z
 | | Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ... | | 著者 | Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P. | | 登録日 | 2024-04-24 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
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8Z9A
 | | Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum bound with geranyl acetate | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ... | | 著者 | Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P. | | 登録日 | 2024-04-23 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
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1XTA
 | | Crystal Structure of Natrin, a snake venom CRISP from Taiwan cobra (Naja atra) | | 分子名称: | Natrin 1 | | 著者 | Wang, Y.-L, Goh, K.-X, Lee, S.-C, Huang, W.-N, Wu, W.-G, Chen, C.-J. | | 登録日 | 2004-10-21 | | 公開日 | 2005-12-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Structures of snake venom CRISP reveal an action mechanism involving serine protease and ion channel blocking domains
To be Published
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2Z4B
 | | Estrogen receptor beta ligand-binding domain complexed 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 beta | | 著者 | Wang, Y. | | 登録日 | 2007-06-14 | | 公開日 | 2007-08-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.34 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
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6LX3
 | | Cryo-EM structure of human secretory immunoglobulin A | | 分子名称: | Immunoglobulin J chain, Interleukin-2,Immunoglobulin heavy constant alpha 1, Polymeric immunoglobulin receptor | | 著者 | Wang, Y, Wang, G, Li, Y, Xiao, J. | | 登録日 | 2020-02-10 | | 公開日 | 2020-05-27 | | 最終更新日 | 2020-07-22 | | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | | 主引用文献 | Structural insights into secretory immunoglobulin A and its interaction with a pneumococcal adhesin.
Cell Res., 30, 2020
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6BLQ
 | | Crystal Structure of IAg7 in complex with insulin mimotope p8E9E | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wang, Y, Dai, S. | | 登録日 | 2017-11-11 | | 公開日 | 2017-12-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6ON1
 | | A resting state structure of L-DOPA dioxygenase from Streptomyces sclerotialus | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, L-DOPA dioxygenase | | 著者 | Wang, Y, Shin, I, Fu, Y, Colabroy, K, Liu, A. | | 登録日 | 2019-04-19 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.982 Å) | | 主引用文献 | Crystal Structures of L-DOPA Dioxygenase fromStreptomyces sclerotialus.
Biochemistry, 58, 2019
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8D5N
 | | Crystal structure of Ld-HF10 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | | 著者 | Wang, Y, Dai, S. | | 登録日 | 2022-06-05 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Peptide Centric V beta Specific Germline Contacts Shape a Specialist T Cell Response.
Front Immunol, 13, 2022
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