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6XBG
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Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246
分子名称: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-05
公開日2020-06-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
5X07
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Crystal structure of FOXA2 DNA binding domain bound to a full consensus DNA site
分子名称: DNA (5'-D(*CP*AP*AP*AP*AP*TP*GP*TP*AP*AP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*TP*GP*TP*TP*TP*AP*CP*AP*TP*TP*TP*TP*G)-3'), Hepatocyte nuclear factor 3-beta
著者Li, J, Guo, M, Zhou, Z, Jiang, L, Chen, X, Qu, L, Wu, D, Chen, Z, Chen, L, Chen, Y.
登録日2017-01-20
公開日2017-08-16
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Structure of the Forkhead Domain of FOXA2 Bound to a Complete DNA Consensus Site
Biochemistry, 56, 2017
6XA4
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Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241
分子名称: 3C-like proteinase, GLYCEROL, inhibitor UAW241
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-03
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
8DDI
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BU of 8ddi by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166N Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Jacobs, L.M.C, Chen, Y.
登録日2022-06-18
公開日2022-08-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A yeast-based system to study SARS-CoV-2 Mpro structure and to identify nirmatrelvir resistant mutations.
Plos Pathog., 19, 2023
8DDM
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166R Mutant in Complex with Inhibitor GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
著者Lewandowski, E.M, Chen, Y.
登録日2022-06-18
公開日2022-08-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A yeast-based system to study SARS-CoV-2 Mpro structure and to identify nirmatrelvir resistant mutations.
Plos Pathog., 19, 2023
8DGB
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Q192T Mutant in Complex with Inhibitor GC376
分子名称: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
著者Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-06-23
公開日2022-07-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
8DCZ
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) M165Y Mutant in Complex with Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-06-17
公開日2022-07-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
8DD1
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SARS-CoV-2 Main Protease (Mpro) H164N Mutant in Complex with Inhibitor GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
著者Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-06-17
公開日2022-07-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
8DFN
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H164N Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-06-22
公開日2022-07-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
8DFE
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BU of 8dfe by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-06-22
公開日2022-07-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
8DD9
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BU of 8dd9 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant in Complex with Inhibitor GC376
分子名称: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
著者Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-06-17
公開日2022-07-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir.
Acs Cent.Sci., 9, 2023
8HYN
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BU of 8hyn by Molmil
Bacterial STING from Riemerella anatipestifer
分子名称: CD-NTase-associated protein 12, TETRAETHYLENE GLYCOL
著者Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
登録日2023-01-07
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8HWJ
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Bacterial STING from Epilithonimonas lactis in complex with 3'3'-c-di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CD-NTase-associated protein 12
著者Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
登録日2022-12-30
公開日2024-01-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.553 Å)
主引用文献Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8HWI
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Bacterial STING from Larkinella arboricola in complex with 3'3'-c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CD-NTase-associated protein 12
著者Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
登録日2022-12-30
公開日2024-01-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8HY8
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Bacterial STING from Epilithonimonas lactis
分子名称: CD-NTase-associated protein 12
著者Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
登録日2023-01-06
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.568 Å)
主引用文献Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
5K9N
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BU of 5k9n by Molmil
Structural and Mechanistic Analysis of Drosophila melanogaster Polyamine N acetyltransferase, an enzyme that Catalyzes the Formation of N acetylagmatine
分子名称: Polyamine N acetyltransferase
著者Dempsey, D.R, Nichols, D.A, Battistini, M.R, Pemberton, O, Ospina, S.R, Zhang, X, Carpenter, A.-M, Chen, Y, Merkler, D.J.
登録日2016-06-01
公開日2017-06-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Mechanistic Analysis of Drosophila melanogaster Agmatine N-Acetyltransferase, an Enzyme that Catalyzes the Formation of N-Acetylagmatine.
Sci Rep, 7, 2017
8HY9
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Bacterial STING from Riemerella anatipestifer in complex with 3'3'-c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, CD-NTase-associated protein 12
著者Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
登録日2023-01-06
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.462 Å)
主引用文献Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
5KW2
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The extra-helical binding site of GPR40 and the structural basis for allosteric agonism and incretin stimulation
分子名称: (3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid, Free fatty acid receptor 1,Lysozyme,Free fatty acid receptor 1
著者Ho, J.D, Chau, B, Rodgers, L, Lu, F, Wilbur, K.L, Otto, K.A, Chen, Y, Song, M, Riley, J.P, Yang, H.-C, Reynolds, N.A, Kahl, S.D, Lewis, A.P, Groshong, C, Madsen, R.E, Conners, K, Linswala, J.P, Gheyi, T, Saflor, M.D, Lee, M.R, Benach, J, Baker, K.A, Montrose-Rafizadeh, C, Genin, M.J, Miller, A.R, Hamdouchi, C.
登録日2016-07-15
公開日2018-05-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structural basis for GPR40 allosteric agonism and incretin stimulation.
Nat Commun, 9, 2018
6VHS
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Crystal structure of CTX-M-14 in complex with beta-lactamase inhibitor ETX1317
分子名称: (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid, Beta-lactamase, PHOSPHATE ION
著者Sacco, M.D, Chen, Y.
登録日2020-01-10
公開日2020-08-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine beta-Lactamases.
J.Med.Chem., 63, 2020
1Y7H
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Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241
分子名称: THIOCYANATE ION, salicylic acid-binding protein 2
著者Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2004-12-08
公開日2004-12-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity
Proc.Natl.Acad.Sci.Usa, 102, 2005
1Y7I
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Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241
分子名称: 2-HYDROXYBENZOIC ACID, salicylic acid-binding protein 2
著者Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2004-12-08
公開日2004-12-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity
Proc.Natl.Acad.Sci.USA, 102, 2005
7PKS
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Structural basis of Integrator-mediated transcription regulation
分子名称: DNA Template, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ...
著者Fianu, I, Chen, Y, Dienemann, C, Cramer, P.
登録日2021-08-26
公開日2021-12-08
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of Integrator-mediated transcription regulation.
Science, 374, 2021
3V3Q
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Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ...
著者Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
登録日2011-12-14
公開日2012-09-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
7VGI
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Cryo-EM structure of the human P4-type flippase ATP8B1-CDC50A in the auto-inhibited E2P state
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, Cell cycle control protein 50A, ...
著者Chen, M.T, Chen, Y.
登録日2021-09-16
公開日2022-03-30
最終更新日2022-10-12
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Structural insights into the activation of autoinhibited human lipid flippase ATP8B1 upon substrate binding.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VGH
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Cryo-EM structure of the human P4-type flippase ATP8B1-CDC50B in the auto-inhibited E2P state
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, Cell cycle control protein 50B, ...
著者Chen, M.T, Chen, Y.
登録日2021-09-16
公開日2022-03-30
最終更新日2022-10-12
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Structural insights into the activation of autoinhibited human lipid flippase ATP8B1 upon substrate binding.
Proc.Natl.Acad.Sci.USA, 119, 2022

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