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PDB: 89346 件
8E9Q
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BU of 8e9q by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant HEX bound to maleic acid at 278 K
分子名称: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9O
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BU of 8e9o by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFIY bound to maleic acid at 278 K
分子名称: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9S
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BU of 8e9s by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFCS bound to maleic acid at 278 K
分子名称: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
6ZU8
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BU of 6zu8 by Molmil
Crystal structure of human Brachyury G177D variant in complex with Afatinib
分子名称: Brachyury protein, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide, ZINC ION
著者Newman, J.A, Gavard, A.E, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-07-21
公開日2020-08-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of human Brachyury G177D variant in complex with Afatinib
To Be Published
7OUO
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Crystal structure of RNA duplex [UCGUGCGA]2 in complex with Ba2+ cation
分子名称: BARIUM ION, RNA (5'-R(*UP*CP*GP*UP*GP*CP*GP*A)-3')
著者Ruszkowski, M, Mao, S, Zheng, Y.Y, Ruszkowska, A, Sheng, J.
登録日2021-06-12
公開日2022-03-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.212 Å)
主引用文献Structural Insights Into the 5'UG/3'GU Wobble Tandem in Complex With Ba 2+ Cation.
Front Mol Biosci, 8, 2021
8ECY
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BU of 8ecy by Molmil
cryoEM structure of bovine bestrophin-2 and glutamine synthetase complex
分子名称: Bestrophin, CALCIUM ION, CHLORIDE ION, ...
著者Owji, A.P, Kittredge, A.K, Yang, T.
登録日2022-09-02
公開日2022-11-02
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献Bestrophin-2 and glutamine synthetase form a complex for glutamate release.
Nature, 611, 2022
7A78
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BU of 7a78 by Molmil
Crystal structure of RXR beta LBD in complexes with palmitic acid and GRIP-1 peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Nuclear receptor coactivator 2, ...
著者Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-08-27
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms.
Int J Mol Sci, 21, 2020
7A9B
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Crystal structure of Shank1 PDZ domain with ARAP3-derived peptide
分子名称: 1,2-ETHANEDIOL, SH3 and multiple ankyrin repeat domains protein 1,Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3
著者Mariam McAuley, M, Ali, M, Ivarsson, Y, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2020-09-01
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Shank1 PDZ domain with ARAP3-derived peptide
to be published
6ZNR
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MaeB PTA domain R535A mutant
分子名称: Malate dehydrogenase
著者Lovering, A.L, Harding, C.J.
登録日2020-07-06
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.217 Å)
主引用文献A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
8V4U
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Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
分子名称: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
著者Greasley, S.E, Ferre, R.A, Liu, W.
登録日2023-11-29
公開日2024-05-15
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.819 Å)
主引用文献A Second-Generation Oral SARS-CoV-2 Main Protease Inhibitor Clinical Candidate for the Treatment of COVID-19.
J.Med.Chem., 67, 2024
6UWT
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Clostridium difficile binary toxin translocase CDTb tetradecamer in symmetric conformation
分子名称: ADP-ribosyltransferase binding component, CALCIUM ION
著者Xu, X, Pozharski, E, des Georges, A.
登録日2019-11-05
公開日2020-01-22
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
8UT9
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CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-28 days post immunization
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8E9D
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BU of 8e9d by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant AIFS bound to maleic acid at 100 K
分子名称: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8UT3
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BU of 8ut3 by Molmil
CryoEM structure of A/Perth/16/2009 H3 in complex with flu HA central stem VH1-18 antibody UCA6
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, Hemagglutinin, ...
著者Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
6ZN7
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BU of 6zn7 by Molmil
MaeB malic enzyme domain apoprotein
分子名称: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malate dehydrogenase,Malate dehydrogenase
著者Lovering, A.L, Harding, C.J.
登録日2020-07-06
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
6P5T
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BU of 6p5t by Molmil
Surface-layer (S-layer) RsaA protein from Caulobacter crescentus bound to strontium and iodide
分子名称: IODIDE ION, S-layer protein, STRONTIUM ION
著者Chan, A.C, Herrmann, J, Smit, J, Wakatsuki, S, Murphy, M.E.
登録日2019-05-30
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A bacterial surface layer protein exploits multistep crystallization for rapid self-assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
8UT8
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CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-15 days post-immunization
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8DU6
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Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-((1-ethylazetidin-3-yl)oxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
分子名称: Estrogen receptor, [(1'R)-1'-{4-[(1-ethylazetidin-3-yl)oxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
著者Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W.
登録日2022-07-27
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
NPJ Breast Cancer, 8, 2022
8UT6
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BU of 8ut6 by Molmil
CryoEM structure of A/Perth/16/2009 H3 in complex with polyclonal Fab from mice immunized with H3 stem nanoparticles-15 days post immunization
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, H3D15 pFab HC Fv_polyA, ...
著者Huang, J, Han, J, Ward, A.B.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8DU8
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Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6-hydroxy-1-(4-((1-propylazetidin-3-yl)oxy)phenyl)-3,4-dihydroisoquinolin-2(1H)-yl)(phenyl)methanone
分子名称: Estrogen receptor, [(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)oxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
著者Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W.
登録日2022-07-27
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
NPJ Breast Cancer, 8, 2022
8DV5
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Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-((1-pentylpyrrolidin-3-yl)methoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
分子名称: Estrogen receptor, [(1'R)-6'-hydroxy-1'-(4-{[(3S)-1-pentylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
著者Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W.
登録日2022-07-28
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
NPJ Breast Cancer, 8, 2022
8E9U
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BU of 8e9u by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant HEX in the ligand-free form at 303 K
分子名称: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
6ZNG
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MaeB full-length acetyl-CoA bound state
分子名称: ACETYL COENZYME *A, NADP-dependent malate dehydrogenase,Malate dehydrogenase
著者Lovering, A.L, Harding, C.J.
登録日2020-07-06
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
8DV8
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BU of 8dv8 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-((2-(1-propylpyrrolidin-3-yl)ethyl)thio)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
分子名称: Estrogen receptor, {(1'R)-6'-hydroxy-1'-[4-({[(3S)-1-propylpyrrolidin-3-yl]methyl}sulfanyl)phenyl]-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl}(phenyl)methanone
著者Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W.
登録日2022-07-28
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
NPJ Breast Cancer, 8, 2022
8DU9
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BU of 8du9 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3,4-dihydroisoquinolin-2(1H)-yl)(phenyl)methanone
分子名称: Estrogen receptor, [(1'R)-6'-hydroxy-1'-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
著者Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W.
登録日2022-07-27
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
NPJ Breast Cancer, 8, 2022

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件を2024-10-09に公開中

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