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7DGI
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BU of 7dgi by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-4-nitrobenzamide
分子名称: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7W6F
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BU of 7w6f by Molmil
Polyketide cyclase OAC-F24I mutant from Cannabis sativa in complex with 6-nonylresorcylic acid
分子名称: 2-nonyl-4,6-bis(oxidanyl)benzoic acid, GLYCEROL, Olivetolic acid cyclase
著者Nakashima, Y, Lee, Y.E, Morita, H.
登録日2021-12-01
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
7W6G
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BU of 7w6g by Molmil
TKS-L190G mutant from Cannabis sativa in complex with lauroyl-CoA
分子名称: 3,5,7-trioxododecanoyl-CoA synthase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Nakashima, Y, Lee, Y.E, Morita, H.
登録日2021-12-01
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
7W6E
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BU of 7w6e by Molmil
Polyketide cyclase OAC-F24I mutant from Cannabis sativa in complex with 6-heptylresorcylic acid
分子名称: 2-heptyl-4,6-bis(oxidanyl)benzoic acid, Olivetolic acid cyclase
著者Nakashima, Y, Lee, Y.E, Morita, H.
登録日2021-12-01
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
7W6D
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BU of 7w6d by Molmil
Polyketide cyclase OAC-F24I mutant from Cannabis sativa in complex with olivetolic acid
分子名称: 2,4-bis(oxidanyl)-6-pentyl-benzoic acid, Olivetolic acid cyclase
著者Nakashima, Y, Lee, Y.E, Morita, H.
登録日2021-12-01
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
7E8O
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BU of 7e8o by Molmil
Crystal structure of proteinaceous RNase P(PRORP) from Planctomycetes bacterium GWF2_40_8 complexed with Escherichia coli histidine pre-tRNA
分子名称: CALCIUM ION, RNA-free ribonuclease P, histidine pre-tRNA
著者Li, Y.Y, Gan, J.H.
登録日2021-03-02
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Crystal structures and insights into precursor tRNA 5'-end processing by prokaryotic minimal protein-only RNase P.
Nat Commun, 13, 2022
7E8K
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Crystal structure of Proteinaceous RNase P (PRORP) from Planctomycetes bacterium GWF2_40_8
分子名称: RNA-free ribonuclease P, SULFATE ION
著者Li, Y.Y, Gan, J.H.
登録日2021-03-02
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structures and insights into precursor tRNA 5'-end processing by prokaryotic minimal protein-only RNase P.
Nat Commun, 13, 2022
7E8J
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BU of 7e8j by Molmil
Crystal structure of Proteinaceous RNase P (PRORP) from Thermococcus celer
分子名称: RNA-free ribonuclease P
著者Li, Y.Y, Gan, J.H.
登録日2021-03-02
公開日2022-03-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures and insights into precursor tRNA 5'-end processing by prokaryotic minimal protein-only RNase P.
Nat Commun, 13, 2022
1MVX
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BU of 1mvx by Molmil
structure of the SET domain histone lysine methyltransferase Clr4
分子名称: CRYPTIC LOCI REGULATOR 4, NICKEL (II) ION, SULFATE ION, ...
著者Min, J.R, Zhang, X, Cheng, X.D, Grewal, S.I.S, Xu, R.-M.
登録日2002-09-26
公開日2002-10-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the SET domain histone lysine methyltransferase Clr4.
Nat.Struct.Biol., 9, 2002
5ZKA
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BU of 5zka by Molmil
Crystal structure of N-acetylneuraminate lyase from Fusobacterium nucleatum complexed with Pyruvate
分子名称: 1,2-ETHANEDIOL, N-acetylneuraminate lyase, TRIETHYLENE GLYCOL
著者Kumar, J.P, Rao, H, Nayak, V, Ramaswamy, S.
登録日2018-03-23
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structures and kinetics of N-acetylneuraminate lyase from Fusobacterium nucleatum
Acta Crystallogr F Struct Biol Commun, 74, 2018
8HDO
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BU of 8hdo by Molmil
Structure of A2BR bound to synthetic agonists BAY 60-6583
分子名称: 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide, Adenosine A2b receptor, CHOLESTEROL, ...
著者Cai, H, Xu, Y, Xu, H.E, Jiang, Y.
登録日2022-11-05
公開日2023-01-18
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists.
Cell Discov, 8, 2022
8HDP
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BU of 8hdp by Molmil
Structure of A2BR bound to endogenous agonists adenosine
分子名称: ADENOSINE, Adenosine A2b receptor, CHOLESTEROL, ...
著者Cai, H, Xu, Y, Xu, H.E, Jiang, Y.
登録日2022-11-05
公開日2023-01-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists.
Cell Discov, 8, 2022
3LL8
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BU of 3ll8 by Molmil
Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
分子名称: AKAP79 peptide, CALCIUM ION, Calcineurin subunit B type 1, ...
著者Li, H, Hogan, P.G.
登録日2010-01-28
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Balanced interactions of calcineurin with AKAP79 regulate Ca(2+)-calcineurin-NFAT signaling.
Nat.Struct.Mol.Biol., 19, 2012
8HK5
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BU of 8hk5 by Molmil
C5aR1-Gi-C5a protein complex
分子名称: C5a anaphylatoxin chemotactic receptor 1, Complement C5, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
登録日2022-11-24
公開日2023-05-10
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8HK3
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BU of 8hk3 by Molmil
C3aR-Gi-apo protein complex
分子名称: C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
登録日2022-11-24
公開日2023-05-10
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8HK2
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C3aR-Gi-C3a protein complex
分子名称: C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, CHOLESTEROL, ...
著者Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
登録日2022-11-24
公開日2023-05-10
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
7D32
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The TBA-Pb2+ complex in P41212 space group
分子名称: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), LEAD (II) ION
著者Liu, H.H, Gao, Y.Q, Sheng, J, Gan, J.H.
登録日2020-09-18
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.707 Å)
主引用文献Structure-guided development of Pb 2+ -binding DNA aptamers.
Sci Rep, 12, 2022
7D33
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The Pb2+ complexed structure of TBA G8C mutant
分子名称: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*CP*TP*GP*GP*TP*TP*GP*G)-3'), LEAD (II) ION
著者Liu, H.H, Gao, Y.Q, Sheng, J, Gan, J.H.
登録日2020-09-18
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.117 Å)
主引用文献Structure-guided development of Pb 2+ -binding DNA aptamers.
Sci Rep, 12, 2022
7D31
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The TBA-Pb2+ complex in P41212 space group
分子名称: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), LEAD (II) ION
著者Liu, H.H, Gao, Y.Q, Sheng, J, Gan, J.H.
登録日2020-09-18
公開日2021-09-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.396 Å)
主引用文献Structure-guided development of Pb 2+ -binding DNA aptamers.
Sci Rep, 12, 2022
7E0X
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BU of 7e0x by Molmil
Crystal structure of Arabidopsis thaliana HPPD complexed with 4-hydroxyphenylacetic acid
分子名称: 4-HYDROXYPHENYLACETATE, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Lin, H.Y, Yang, G.F.
登録日2021-01-28
公開日2021-12-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.887 Å)
主引用文献Rational Redesign of Enzyme via the Combination of Quantum Mechanics/Molecular Mechanics, Molecular Dynamics, and Structural Biology Study.
J.Am.Chem.Soc., 143, 2021
7EOG
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Crystal structure of the Pepper aptamer in complex with HBC, iridium hexammine soak
分子名称: 4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, IRIDIUM HEXAMMINE ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7EOK
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Crystal structure of the Pepper aptamer in complex with HBC485
分子名称: 4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7EOM
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Crystal structure of the Pepper aptamer in complex with HBC508
分子名称: 4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7EOO
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Crystal structure of the Pepper aptamer in complex with HBC525
分子名称: (~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7EOH
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Crystal structure of the Pepper aptamer in complex with HBC
分子名称: 4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile, MAGNESIUM ION, Pepper (49-MER)
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.637 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021

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