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6IH3
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Crystal structure of Phosphite Dehydrogenase from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine Dinucleotide
分子名称: Phosphite dehydrogenase, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Song, X, Feng, Y, Zhao, Z, Liu, Y.
登録日2018-09-28
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.942 Å)
主引用文献Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
6IH6
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Phosphite Dehydrogenase mutant I151R/P176R/M207A from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine dinucleotide
分子名称: Phosphite dehydrogenase, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Song, X, Feng, Y, Liu, Y, Zhao, Z.
登録日2018-09-28
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
7KLZ
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Structure of SPOP MATH domain in complex with a Geminin peptide
分子名称: Geminin peptide, PHOSPHATE ION, Speckle-type POZ protein
著者Cui, G, Botuyan, M.V, Mer, G.
登録日2020-11-01
公開日2021-08-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献SPOP mutation induces replication over-firing by impairing Geminin ubiquitination and triggers replication catastrophe upon ATR inhibition.
Nat Commun, 12, 2021
7TDZ
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BU of 7tdz by Molmil
Cryo-EM model of protomer of the cytoplasmic ring of the nuclear pore complex from Xenopus laevis
分子名称: Nuclear pore complex protein, Nuclear pore complex protein Nup85, Nuclear pore complex protein Nup96, ...
著者Fontana, P, Wu, H.
登録日2022-01-03
公開日2022-06-22
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Structure of cytoplasmic ring of nuclear pore complex by integrative cryo-EM and AlphaFold.
Science, 376, 2022
3TCT
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BU of 3tct by Molmil
Structure of wild-type TTR in complex with tafamidis
分子名称: 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin
著者Connelly, S, Kelly, J.W, Wilson, I.A.
登録日2011-08-09
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Tafamidis, a potent and selective transthyretin kinetic stabilizer that inhibits the amyloid cascade.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TYQ
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SAR development and discovery of potent indole-based inhibitors of the hepatitis c virus NS5B polymerase
分子名称: 5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase
著者Lesburg, C.A, Chen, K.X.
登録日2011-09-26
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Novel Class of Highly Potent Irreversible Hepatitis C Virus NS5B Polymerase Inhibitors.
J.Med.Chem., 55, 2012
6K7T
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BU of 6k7t by Molmil
Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Hendra virus-derived peptide HeV1--human beta-2 microglobulin
分子名称: Beta-2-microglobulin, HeV1, MHC class I antigen
著者Lu, D, Liu, K.F, Zhang, D, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, F.G, Liu, W.J.
登録日2019-06-08
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
7TBF
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BU of 7tbf by Molmil
Locally refined region of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 antibody A19-61.1, Heavy chain of SARS-CoV-2 antibody B1-182.1, ...
著者Zhou, T, Tsybovsky, T, Kwong, P.D.
登録日2021-12-21
公開日2022-03-30
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
6K7U
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BU of 6k7u by Molmil
Crystal structure of beta-2 microglobulin (beta2m) of Bat (Pteropus Alecto)
分子名称: Bat beta-2-microglobulin
著者Lu, D, Liu, K.F, Zhang, D, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, F.G, Liu, W.J.
登録日2019-06-08
公開日2019-09-18
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
4FAK
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BU of 4fak by Molmil
Crystal Structure of OrfX in Complex with S-Adenosylmethionine
分子名称: PHOSPHATE ION, Ribosomal RNA large subunit methyltransferase H, S-ADENOSYLMETHIONINE, ...
著者Safo, M.K, Musayev, F.N, Boundy, S, Archer, G.L, Rife, J.P, O'Farrell, H.C.
登録日2012-05-22
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Characterization of the Staphylococcus aureus rRNA Methyltransferase Encoded by orfX, the Gene Containing the Staphylococcal Chromosome Cassette mec (SCCmec) Insertion Site.
J.Biol.Chem., 288, 2013
7U0D
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BU of 7u0d by Molmil
Local refinement of cryo-EM structure of the interface of the Omicron RBD in complex with antibodies B-182.1 and A19-46.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 antibody A19-46.1, Heavy chain of SARS-CoV-2 antibody B1-182.1, ...
著者Zhou, T, kwong, P.D.
登録日2022-02-17
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
3KA0
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MK2 complex with inhibitor 6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide
分子名称: 6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-N-methylidene-1-benzothiophene-2-carboxamide, MAP kinase-activated protein kinase 2
著者Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
登録日2009-10-16
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
6J2J
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BU of 6j2j by Molmil
Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with MERS-CoV-derived peptide MERS-CoV-S3
分子名称: Beta-2-microglobulin, MERS-CoV-S3, Ptal-N*01:01
著者Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J.
登録日2019-01-01
公開日2019-09-18
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
3HL5
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BU of 3hl5 by Molmil
Crystal structure of XIAP BIR3 with CS3
分子名称: (3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide, Baculoviral IAP repeat-containing protein 4, ZINC ION
著者Hymowitz, S.G.
登録日2009-05-26
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Antagonism of c-IAP and XIAP proteins is required for efficient induction of cell death by small-molecule IAP antagonists.
Acs Chem.Biol., 4, 2009
3KC3
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BU of 3kc3 by Molmil
MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
分子名称: MAP kinase-activated protein kinase 2, N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
著者Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
登録日2009-10-20
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
5C0S
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BU of 5c0s by Molmil
Crystal structure of a generation 4 influenza hemagglutinin stabilized stem in complex with the broadly neutralizing antibody CR6261
分子名称: CR6261 antibody heavy chain, CR6261 antibody light chain, Hemagglutinin, ...
著者Boyington, J.C, Kwong, P.D, Nabel, G.J, Mascola, J.R.
登録日2015-06-12
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Hemagglutinin-stem nanoparticles generate heterosubtypic influenza protection.
Nat. Med., 21, 2015
2PFC
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BU of 2pfc by Molmil
Structure of Mycobacterium tuberculosis Rv0098
分子名称: Hypothetical protein Rv0098/MT0107, PALMITIC ACID
著者Wang, F, Sacchettini, J.C.
登録日2007-04-04
公開日2008-04-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of a type III thioesterase reveals the function of an operon crucial for Mtb virulence.
Chem.Biol., 14, 2007
7YGF
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BU of 7ygf by Molmil
Crystal structure of YggS from Fusobacterium nucleatum
分子名称: Pyridoxal phosphate homeostasis protein, SULFATE ION
著者He, S.R, Chan, Y.Y, Wang, L.L, Bai, X, Bu, T.T, Zhang, J, Xu, Y.B.
登録日2022-07-11
公開日2022-10-12
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural and Functional Analysis of the Pyridoxal Phosphate Homeostasis Protein YggS from Fusobacterium nucleatum.
Molecules, 27, 2022
6AGL
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Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli
分子名称: Phospho-2-dehydro-3-deoxyheptonate aldolase, Tyr-sensitive
著者Cui, D, Qi, J, Wen, T.
登録日2018-08-13
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli.
J.Struct.Biol., 206, 2019
6A82
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Crystal structure of the C-terminal periplasmic domain of EcEptC from Escherichia coli
分子名称: Phosphoethanolamine transferase EptC, SODIUM ION
著者Zhao, Y.Q, Gu, Y.J, Cheng, W.
登録日2018-07-06
公開日2018-12-26
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and mechanistic insights into polymyxin resistance mediated by EptC originating from Escherichia coli.
FEBS J., 286, 2019
6AGM
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BU of 6agm by Molmil
Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli
分子名称: Phospho-2-dehydro-3-deoxyheptonate aldolase, Tyr-sensitive, TYROSINE
著者Cui, D, Qi, J, Wen, T.
登録日2018-08-13
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli.
J.Struct.Biol., 206, 2019
7VWZ
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BU of 7vwz by Molmil
Cryo-EM structure of Rob-dependent transcription activation complex in a unique conformation
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Lin, W, Feng, Y, Shi, J.
登録日2021-11-12
公開日2022-06-08
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis of transcription activation by Rob, a pleiotropic AraC/XylS family regulator.
Nucleic Acids Res., 50, 2022
7VWY
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Cryo-EM structure of Rob-dependent transcription activation complex in a unique conformation
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Lin, W, Feng, Y.
登録日2021-11-12
公開日2022-06-08
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4.57 Å)
主引用文献Structural basis of transcription activation by Rob, a pleiotropic AraC/XylS family regulator.
Nucleic Acids Res., 50, 2022
8GSP
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Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W2
分子名称: A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ...
著者He, Y, Li, K.
登録日2022-09-06
公開日2023-10-11
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies.
Plos Pathog., 19, 2023
7VUN
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Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction
分子名称: (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1
著者Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B.
登録日2021-11-03
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022

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