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7S9O
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Binary complex of DNA Polymerase Beta with Ring open Intermediate Fapy-dG in the template position
分子名称: DNA (5'-D(*CP*CP*GP*AP*C*(IFP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A*(SO4))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Freudenthal, B.D, Ryan, B.J.
登録日2021-09-21
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
5HTN
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putative sugar kinases from Synechococcus elongatus PCC7942-apo form
分子名称: Probable sugar kinase
著者Xie, Y, Li, M, Chang, W.
登録日2016-01-27
公開日2016-06-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Crystal Structures of Putative Sugar Kinases from Synechococcus Elongatus PCC 7942 and Arabidopsis Thaliana
Plos One, 11, 2016
7SBG
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Murine Fab/IgE in complex with profilin from Hevea brasieliensis (Hev b 8)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fab/IgE Heavy chain, Fab/IgE Light chain, ...
著者Rodriguez-Romero, A, Garcia-Ramirez, B.
登録日2021-09-24
公開日2022-08-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献A native IgE in complex with profilin provides insights into allergen recognition and cross-reactivity.
Commun Biol, 5, 2022
5HT9
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Crystal structure of M-crystallin in the presence of nickel
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta/gama crystallin family protein, MAGNESIUM ION, ...
著者Jamkhindikar, A, Srivastava, S.S, Sankaranarayanan, R.
登録日2016-01-26
公開日2017-02-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.869 Å)
主引用文献Inconspicuous nickel-binding methanoarchaeal betagamma-crystallins
To Be Published
7SD2
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BU of 7sd2 by Molmil
Murine Fab that recognizes Hev b 8 (profilin for Hevea brasiliensis)
分子名称: Heavy Chain Antibody IgE/Fab anti-profilin Hev b 8, Light Chain Antibody IgE/Fab anti-profilin Hev b 8
著者Rodriguez-Romero, A, Garcia-Ramirez, B.
登録日2021-09-29
公開日2022-08-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献A native IgE in complex with profilin provides insights into allergen recognition and cross-reactivity.
Commun Biol, 5, 2022
7SDA
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BU of 7sda by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI49
分子名称: 3C-like proteinase, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Yang, K.S, Liu, W.R.
登録日2021-09-29
公開日2022-11-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
7SD9
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI48
分子名称: 3C-like proteinase, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
著者Yang, K.S, Liu, W.R.
登録日2021-09-29
公開日2022-11-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
5XC6
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Dengue Virus 4 NS3 Helicase in complex with SSRNA SLA12
分子名称: NS3 Helicase, PHOSPHATE ION, RNA (5'-R(*AP*GP*UP*UP*GP*UP*UP*AP*GP*UP*CP*U)-3')
著者Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G.
登録日2017-03-22
公開日2017-11-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication
Nucleic Acids Res., 45, 2017
7SDC
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MI-09
分子名称: (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Liu, W.R.
登録日2021-09-29
公開日2022-11-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
5HWP
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BU of 5hwp by Molmil
MvaS with acetylated Cys115 in complex with coenzyme A
分子名称: COENZYME A, GLYCEROL, Hydroxymethylglutaryl-CoA synthase, ...
著者Bock, T, Kasten, J, Blankenfeldt, W.
登録日2016-01-29
公開日2016-05-11
最終更新日2016-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the HMG-CoA Synthase MvaS from the Gram-Negative Bacterium Myxococcus xanthus.
Chembiochem, 17, 2016
5HV7
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BU of 5hv7 by Molmil
Putative sugar kinases from Synechococcus elongatus PCC7942 in complex with D-ribulose
分子名称: D-ribulose, Probable sugar kinase
著者Xie, Y, Li, M, Chang, W.
登録日2016-01-28
公開日2016-06-08
最終更新日2020-07-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal Structures of Putative Sugar Kinases from Synechococcus Elongatus PCC 7942 and Arabidopsis Thaliana
Plos One, 11, 2016
7DVK
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PyrI4 in complex with intermolecular Diels-Alder product
分子名称: GLYCEROL, Spiro-conjugate synthase, methyl 4-[[(1S,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate
著者Kashyap, R, Addlagatta, A.
登録日2021-01-13
公開日2021-08-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Exo-selective intermolecular Diels-Alder reaction by PyrI4 and AbnU on non-natural substrates.
Commun Chem, 2021
5XPX
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BU of 5xpx by Molmil
Structure elucidation of truncated AMS3 lipase from an Antarctic Pseudomonas
分子名称: CALCIUM ION, Lipase, ZINC ION
著者Rahman, R.N.Z.R.A, Latip, W.
登録日2017-06-05
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structure elucidation of truncated AMS3 lipase from an Antarctic Pseudomonas
To Be Published
7SH7
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BU of 7sh7 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI87
分子名称: 3C-like proteinase nsp5, benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name)
著者Blankenship, L.R, Yang, K.S, Liu, W.R.
登録日2021-10-08
公開日2023-04-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An Azapeptide Platform in Conjunction with Covalent Warheads to Uncover High-Potency Inhibitors for SARS-CoV-2 Main Protease.
Biorxiv, 2023
7SH9
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BU of 7sh9 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI86
分子名称: 3C-like proteinase nsp5, benzyl [(2S,3R)-1-({(2S)-1-[2-acetyl-2-(3-amino-3-oxopropyl)hydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)
著者Yang, K.S, Liu, W.R.
登録日2021-10-08
公開日2023-04-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of the SARS-CoV-2 main protease in complex with inhibitors
To Be Published
7SH8
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BU of 7sh8 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI88
分子名称: 3C-like proteinase nsp5, benzyl [(2S,3R)-1-{[(2S)-1-(2-acetyl-2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}hydrazinyl)-3-cyclohexyl-1-oxopropan-2-yl]amino}-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)
著者Yang, K.S, Liu, W.R.
登録日2021-10-08
公開日2023-04-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the SARS-CoV-2 main protease in complex with inhibitors
To Be Published
5XLE
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BU of 5xle by Molmil
Crystal structure of anaerobically purified and anaerobically crystallized D. vulgaris Miyazaki F [NiFe]-hydrogenase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE3-S4 CLUSTER, ...
著者Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y.
登録日2017-05-10
公開日2018-06-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2.
J. Inorg. Biochem., 177, 2017
5HY6
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BU of 5hy6 by Molmil
Spodoptera frugiperda eukaryotic translation initiation factor EIF5A
分子名称: Eukaryotic translation initiation factor 5A
著者Li, A.W.H, Oliver, A.W, Pearl, L.H.
登録日2016-02-01
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.186 Å)
主引用文献Structure of Spodoptera frugiperda eukaryotic translation initiation factor EIF5A
To Be Published
7SLI
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BU of 7sli by Molmil
Engineered sperm whale myoglobin-based carbene transferase MbBTIC-C2
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Jenkins, J.L, Vargas, D, Ren, X, Fasan, R.
登録日2021-10-24
公開日2023-05-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biocatalytic strategy for the construction of sp 3 -rich polycyclic compounds from directed evolution and computational modelling.
Nat.Chem., 16, 2024
5HYQ
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BU of 5hyq by Molmil
Cetuximab Fab in complex with amidated meditope
分子名称: Amidated meditope, Cetuximab heavy chain, Cetuximab light chain, ...
著者Bzymek, K.P, Williams, J.C.
登録日2016-02-01
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.477 Å)
主引用文献Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5XMZ
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BU of 5xmz by Molmil
Verticillium effector PevD1
分子名称: CALCIUM ION, CHLORIDE ION, Effector protein PevD1
著者Liu, X, Zhou, R.
登録日2017-05-17
公開日2017-07-05
最終更新日2017-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The asparagine-rich protein NRP interacts with the Verticillium effector PevD1 and regulates the subcellular localization of cryptochrome 2
J. Exp. Bot., 68, 2017
5XLH
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BU of 5xlh by Molmil
Crystal structure of aerobically purified and aerobically crystallized for 12weeks D. vulgaris Miyazaki F [NiFe]-hydrogenase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ...
著者Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y.
登録日2017-05-10
公開日2018-06-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2.
J. Inorg. Biochem., 177, 2017
7JQU
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Abeta 16-36 beta-hairpin mimic with E22G Arctic mutation
分子名称: Abeta 16-36 beta-hairpin mimic VAL-ORN-LYS-LEU-VAL-MEA-PHE-ALA-GLN-ORN-ALA-ILE-ILE-GLY-LEU-MET
著者Kreutzer, A.G, McKnelly, K.J, Nowick, J.S.
登録日2020-08-11
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.611 Å)
主引用文献Effects of Familial Alzheimer's Disease Mutations on the Assembly of a beta-Hairpin Peptide Derived from A beta 16-36 .
Biochemistry, 61, 2022
7SHB
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BU of 7shb by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI79
分子名称: 3C-like proteinase nsp5, benzyl [(2S)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-4-methyl-1-oxopentan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]carbamate (non-preferred name)
著者Yang, K.S, Liu, W.R.
登録日2021-10-08
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of the SARS-CoV-2 main protease in complex with inhibitors
To Be Published
7JQS
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Abeta 16-36 beta-hairpin mimic with E22delta Osaka mutation
分子名称: Abeta 16-36 beta-hairpin mimic VAL-ORN-LYS-LEU-VAL-MEA-PHE-ALA-ASP-ORN-ALA-ILE-ILE-GLY-LEU-MET
著者Kreutzer, A.G, McKnelly, K.J, Nowick, J.S.
登録日2020-08-11
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.127 Å)
主引用文献Effects of Familial Alzheimer's Disease Mutations on the Assembly of a beta-Hairpin Peptide Derived from A beta 16-36 .
Biochemistry, 61, 2022

224004

件を2024-08-21に公開中

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