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PDB: 2911 件

6AU2
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Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
分子名称: 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ...
著者MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-08-30
公開日2017-10-11
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Identification and characterization of the first fragment hits for SETDB1 Tudor domain.
Bioorg.Med.Chem., 27, 2019
7KYE
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Structure of a GNAT superfamily PA3944 acetyltransferase in complex with CHES
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetyltransferase PA3944, ...
著者Czub, M.P, Porebski, P.J, Cymborowski, M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-12-07
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure of a GNAT superfamily PA3944 acetyltransferase in complex with CHES
To Be Published
1LL2
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Crystal Structure of Rabbit Muscle Glycogenin Complexed with UDP-glucose and Manganese
分子名称: GLYCOGENIN-1, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Gibbons, B.J, Roach, P.J, Hurley, T.D.
登録日2002-04-26
公開日2002-05-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the autocatalytic initiator of glycogen biosynthesis, glycogenin.
J.Mol.Biol., 319, 2002
3MLE
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Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori cocrystallized with ATP
分子名称: 8-aminooctanoic acid, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Nicholls, R, Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Murshudov, G, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2010-04-16
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
6CBX
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Crystal structure of human SET and MYND Domain Containing protein 2 with MTF1497
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, N-lysine methyltransferase SMYD2, ...
著者ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2018-02-05
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structure of human SET and MYND Domain Containing protein 2 with MTF1497
to be published
6CG3
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Macrocyclic peptide derived from Abeta(17-36) - (ORN)LV(PHI)FAED(ORN)AII(2-nitrobenzylglycine)L(ORN)V
分子名称: ORN-LEU-VAL-PHI-PHE-ALA-GLU-ASP-ORN-ALA-ILE-ILE-EZY-LEU-ORN-VAL
著者Salveson, P.J, Nowick, J.S.
登録日2018-02-19
公開日2018-05-16
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Controlling the Oligomerization State of A beta-Derived Peptides with Light.
J. Am. Chem. Soc., 140, 2018
6CG5
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Covalently crosslinked trimer of a macrocyclic peptide derived from Abeta (17-36) - (ORN)LCVFFCED(ORN)AII(2-nitrobenzylglycine)L(ORN)V
分子名称: ORN-CYS-VAL-PHE-PHE-CYS-GLU-ASP-ORN-ALA-ILE-ILE-EZY-LEU-ORN-VAL
著者Salveson, P.J, Nowick, J.S.
登録日2018-02-19
公開日2018-05-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Controlling the Oligomerization State of A beta-Derived Peptides with Light.
J. Am. Chem. Soc., 140, 2018
2HP4
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Computational design and crystal structure of an enhanced affinity mutant human CD8-alpha-alpha co-receptor
分子名称: GLYCEROL, SULFATE ION, T-cell surface glycoprotein CD8 alpha chain
著者Rizkallah, P.J, Cole, D.K, Jakobsen, B.K, Boulter, J.M, Glick, M, Gao, G.F.
登録日2006-07-17
公開日2007-02-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Computational design and crystal structure of an enhanced affinity mutant human CD8 alphaalpha coreceptor
Proteins, 67, 2007
3M5B
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BU of 3m5b by Molmil
Crystal structure of the BTB domain from FAZF/ZBTB32
分子名称: Zinc finger and BTB domain-containing protein 32
著者Stogios, P.J, Pomroy, N.C, Prive, G.G.
登録日2010-03-12
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into Strand Exchange in BTB Domain Dimers from the Crystal Structures of FAZF and Miz1.
J.Mol.Biol., 400, 2010
2HT8
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N8 neuraminidase in complex with oseltamivir
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase
著者Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J.
登録日2006-07-25
公開日2006-09-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
2HTV
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N4 neuraminidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase
著者Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J.
登録日2006-07-26
公開日2006-09-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
6CH8
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Crystal structure of a natively-glycosylated BG505 SOSIP.664 HIV-1 Envelope Trimer in complex with the broadly-neutralizing antibodies BG18 and 35O22
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Heavy Chain, 35O22 Light Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2018-02-22
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Structural characterization of a highly-potent V3-glycan broadly neutralizing antibody bound to natively-glycosylated HIV-1 envelope.
Nat Commun, 9, 2018
3PEE
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Structure of the C. difficile TcdB cysteine protease domain
分子名称: CALCIUM ION, INOSITOL HEXAKISPHOSPHATE, Toxin B
著者Lupardus, P.J, Garcia, K.C.
登録日2010-10-26
公開日2011-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Defining an allosteric circuit in the cysteine protease domain of Clostridium difficile toxins.
Nat.Struct.Mol.Biol., 18, 2011
2HTQ
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BU of 2htq by Molmil
N8 neuraminidase in complex with zanamivir
分子名称: Neuraminidase, ZANAMIVIR
著者Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J.
登録日2006-07-26
公開日2006-09-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
7M6F
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Structure of the SARS-CoV-2 S 6P trimer in complex with the human neutralizing antibody Fab fragment, BG1-22
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, BG1-22 Fab Heavy Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-03-25
公開日2021-05-05
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6G
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Structure of the SARS-CoV-2 S 6P trimer in complex with the human neutralizing antibody Fab fragment, BG7-15
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, BG7-15 Fab Heavy Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-03-25
公開日2021-05-05
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6I
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Structure of the SARS-CoV-2 S 2P trimer in complex with the human neutralizing antibody Fab fragment, BG1-24
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, BG1-24 Fab Heavy Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-03-25
公開日2021-05-05
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
2IBI
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Covalent Ubiquitin-USP2 Complex
分子名称: ETHANAMINE, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 2, ...
著者Walker, J.R, Avvakumov, G.V, Bernstein, G, Xue, S, Finerty Jr, P.J, MacKenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2006-09-11
公開日2006-10-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Covalent Ubiquitin-USP2 Complex
To be Published
7M6E
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Structure of the SARS-CoV-2 S 6P trimer in complex with the human neutralizing antibody Fab fragment, BG10-19
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BG10-19 Fab Heavy Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-03-25
公開日2021-05-05
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6H
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Structure of the SARS-CoV-2 S 2P trimer in complex with the human neutralizing antibody Fab fragment, BG7-20
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BG7-20 Fab Heavy Chain, BG7-20 Fab Light Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-03-25
公開日2021-05-05
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6D
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Structure of the SARS-CoV-2 RBD in complex with neutralizing antibodies BG4-25 and CR3022
分子名称: BG4-25 Fab Heavy Chain, BG4-25 Fab Light Chain, CR3022 Fab Heavy Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-03-25
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M40
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Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4)
分子名称: Histone-binding protein RBBP4, N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine
著者Perveen, S, Dong, A, Tempel, W, Zepeda-Velazquez, C, Abbey, M, McLeod, D, Marcellus, R, Mohammed, M, Ensan, D, Panagopoulos, D, Trush, V, Gibson, E, Brown, P.J, Arrowsmith, C.H, Schapira, M, Al-awar, R, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2021-03-19
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4)
To Be Published
3PFC
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Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant in complex with ferulic acid
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CHLORIDE ION, ...
著者Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A.
登録日2010-10-28
公開日2011-08-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An Inserted alpha/beta Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase
Plos One, 6, 2011
3N4P
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Human cytomegalovirus terminase nuclease domain
分子名称: MAGNESIUM ION, Terminase subunit UL89 protein
著者Nadal, M, Mas, P.J, Blanco, A.G, Arnan, C, Sola, M, Hart, D.J, Coll, M.
登録日2010-05-22
公開日2010-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure and inhibition of herpesvirus DNA packaging terminase nuclease domain.
Proc.Natl.Acad.Sci.USA, 107, 2010
6CT9
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Structure of the human cGAS-DNA complex
分子名称: Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*A)-3'), DNA (5'-D(P*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*T)-3'), ...
著者Zhou, W, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Mekalanos, J.J, Kranzusch, P.J.
登録日2018-03-22
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure of the Human cGAS-DNA Complex Reveals Enhanced Control of Immune Surveillance.
Cell, 174, 2018

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