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3M4A
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Crystal structure of a bacterial topoisomerase IB in complex with DNA reveals a secondary DNA binding site
分子名称: ACETIC ACID, DNA (5'-D(*GP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*CP*CP*CP*TP*TP*AP*TP*TP*C)-3'), ...
著者Patel, A, Yakovleva, L, Shuman, S, Mondragon, A.
登録日2010-03-10
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of a bacterial topoisomerase IB in complex with DNA reveals a secondary DNA binding site.
Structure, 18, 2010
7PVB
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Structure of Viscotoxin A3 from Viscum Album in the complex with DPC micelles
分子名称: Viscotoxin-A3
著者Paramonov, A.S, Shenkarev, Z.O.
登録日2021-10-01
公開日2021-12-01
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Spatial structure and oligomerization of viscotoxin A3 in detergent micelles: Implication for mechanisms of ion channel formation and membrane lysis.
Biochem.Biophys.Res.Commun., 585, 2021
3M4O
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BU of 3m4o by Molmil
RNA polymerase II elongation complex B
分子名称: DNA (28-MER), DNA (5'-D(P*GP*TP*GP*GP*TP*TP*AP*TP*GP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, D, Zhu, G, Huang, X, Lippard, S.J.
登録日2010-03-11
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.57 Å)
主引用文献X-ray structure and mechanism of RNA polymerase II stalled at an antineoplastic monofunctional platinum-DNA adduct.
Proc.Natl.Acad.Sci.USA, 107, 2010
7PUE
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BU of 7pue by Molmil
Human serum and glucocorticoid-regulated kinase 1 in complex with pyrazolopyridine inhibitor 3a
分子名称: 6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide, GLYCEROL, Serine/threonine-protein kinase Sgk1
著者Dreyer, M.K, Halland, N, Nazare, M.
登録日2021-09-29
公開日2021-12-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献Rational Design of Highly Potent, Selective, and Bioavailable SGK1 Protein Kinase Inhibitors for the Treatment of Osteoarthritis.
J.Med.Chem., 65, 2022
5AVW
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BU of 5avw by Molmil
Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 16.5 min
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, CHOLESTEROL, ...
著者Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C.
登録日2015-07-01
公開日2015-09-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography.
Nat Commun, 6, 2015
3MRI
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BU of 3mri by Molmil
Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide G4M-V5W variant
分子名称: 9-meric peptide from Serine protease/NTPase/helicase NS3, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Reiser, J.-B, Le Gorrec, M, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D.
登録日2010-04-29
公開日2011-05-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide G4M-V5W variant
To be Published
3MRN
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BU of 3mrn by Molmil
Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS4b-1807-1816 decapeptide
分子名称: 10-meric peptide from Genome polyprotein, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Gras, S, Chouquet, A, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D.
登録日2010-04-29
公開日2011-05-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS4b-1807-1816 decapeptide
To be Published
5AW8
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BU of 5aw8 by Molmil
Kinetics by X-ray crystallography: E2.MgF42-.2RB+ crystal
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, CHOLESTEROL, ...
著者Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C.
登録日2015-07-01
公開日2015-09-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography.
Nat Commun, 6, 2015
7JQZ
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BU of 7jqz by Molmil
Crystal structure of Cfl2 wild-type from Burkholderia cenocepacia
分子名称: Alpha/beta hydrolase fold
著者Taher, N.M, Madden, D.R.
登録日2020-08-11
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biochemical and structural characterization of two cif-like epoxide hydrolases from Burkholderia cenocepacia .
Curr Res Struct Biol, 3, 2021
7JQY
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Crystal structure of Cfl1-D123S from Burkholderia cenocepacia
分子名称: Cif-like 1
著者Taher, N.M, Madden, D.R.
登録日2020-08-11
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Biochemical and structural characterization of two cif-like epoxide hydrolases from Burkholderia cenocepacia .
Curr Res Struct Biol, 3, 2021
4BC3
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BU of 4bc3 by Molmil
Crystal structure of human D-xylulokinase
分子名称: 1,2-ETHANEDIOL, XYLULOSE KINASE
著者Bunker, R.D, Loomes, K.M, Baker, E.N.
登録日2012-10-01
公開日2012-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structure and Function of Human Xylulokinase, an Enzyme with Important Roles in Carbohydrate Metabolism
J.Biol.Chem., 288, 2013
4AWP
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BU of 4awp by Molmil
Complex of HSP90 ATPase domain with tropane derived inhibitors
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide
著者Lougheed, J.C, Stout, T.J.
登録日2012-06-05
公開日2012-08-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
4ATV
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BU of 4atv by Molmil
STRUCTURE OF A TRIPLE MUTANT OF THE NHAA DIMER, CRYSTALLISED AT LOW PH
分子名称: DODECYL-ALPHA-D-MALTOSIDE, NA(+)/H(+) ANTIPORTER NHAA, SULFATE ION
著者Drew, D, Lee, C, Iwata, S, Cameron, A.D.
登録日2012-05-10
公開日2013-07-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of the sodium-proton antiporter NhaA dimer and new mechanistic insights.
J. Gen. Physiol., 144, 2014
7JQX
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BU of 7jqx by Molmil
Crystal structure of Cfl1 wild-type from Burkholderia cenocepacia
分子名称: Cif-like 1 wild-type
著者Taher, N.M, Madden, D.R.
登録日2020-08-11
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biochemical and structural characterization of two cif-like epoxide hydrolases from Burkholderia cenocepacia .
Curr Res Struct Biol, 3, 2021
3M0J
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BU of 3m0j by Molmil
Structure of oxaloacetate acetylhydrolase in complex with the inhibitor 3,3-difluorooxalacetate
分子名称: 2,2-difluoro-3,3-dihydroxybutanedioic acid, CALCIUM ION, MANGANESE (II) ION, ...
著者Herzberg, O, Chen, C.
登録日2010-03-03
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus.
J.Biol.Chem., 285, 2010
3M8Y
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BU of 3m8y by Molmil
Phosphopentomutase from Bacillus cereus after glucose-1,6-bisphosphate activation
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
著者Panosian, T.D, Nannemann, D.P, Watkins, G, Wadzinski, B, Bachmann, B.O, Iverson, T.M.
登録日2010-03-19
公開日2010-12-29
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bacillus cereus Phosphopentomutase Is an Alkaline Phosphatase Family Member That Exhibits an Altered Entry Point into the Catalytic Cycle.
J.Biol.Chem., 286, 2011
3MHS
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BU of 3mhs by Molmil
Structure of the SAGA Ubp8/Sgf11/Sus1/Sgf73 DUB module bound to ubiquitin aldehyde
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein SUS1, ...
著者Samara, N.L, Datta, A.B, Berndsen, C.E, Zhang, X, Yao, T, Cohen, R.E, Wolberger, C.
登録日2010-04-08
公開日2010-04-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural insights into the assembly and function of the SAGA deubiquitinating module.
Science, 328, 2010
7MYF
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BU of 7myf by Molmil
Ubiquitin variant UbV.k.1 in complex with Ube2k
分子名称: Ubiquitin, Ubiquitin variant UbV.k.1, Ubiquitin-conjugating enzyme E2 K
著者Middleton, A.J, Day, C.L, Teyra, J, Sidhu, S.S.
登録日2021-05-21
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of Ubiquitin Variants That Inhibit the E2 Ubiquitin Conjugating Enzyme, Ube2k.
Acs Chem.Biol., 16, 2021
7PS3
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BU of 7ps3 by Molmil
Crystal structure of antibody Beta-32 Fab
分子名称: Beta-32 heavy chain, Beta-32 light chain, CHLORIDE ION, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-09-22
公開日2021-12-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
3MCJ
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Crystal structure of molybdenum cofactor biosynthesis (AQ_061) other form from aquifex aeolicus VF5
分子名称: 1,2-ETHANEDIOL, Molybdenum cofactor biosynthesis MOG
著者Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-03-29
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic organisms
Acta Crystallogr.,Sect.F, 67, 2011
5TLQ
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BU of 5tlq by Molmil
Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine complex
分子名称: 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, Thiol:disulfide interchange protein DsbA
著者Mohanty, B, Rimmer, K.A, McMahon, R.M, Headey, S.J, Vazirani, M, Shouldice, S.R, Coincon, M, Tay, S, Morton, C.J, Simpson, J.S, Martin, J.L, Scanlon, M.S.
登録日2016-10-11
公開日2017-04-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
3ML0
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BU of 3ml0 by Molmil
Thermostable Penicillin G acylase from Alcaligenes faecalis in tetragonal form
分子名称: CALCIUM ION, Penicillin G acylase, alpha subunit, ...
著者Varshney, N.K, Kumar, R.S, Ignatova, Z, Dodson, E, Suresh, C.G.
登録日2010-04-16
公開日2010-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystallization and X-ray structure analysis of a thermostable penicillin G acylase from Alcaligenes faecalis.
Acta Crystallogr.,Sect.F, 68, 2012
7PS0
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Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with beta-24 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-24 heavy chain, Beta-24 light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-09-22
公開日2021-12-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
7MYH
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Ubiquitin variant UbV.k.2 in complex with Ube2k
分子名称: GLYCEROL, Ubiquitin variant UbV.k.2, Ubiquitin-conjugating enzyme E2 K
著者Middleton, A.J, Day, C.L, Teyra, J, Sidhu, S.S.
登録日2021-05-21
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Identification of Ubiquitin Variants That Inhibit the E2 Ubiquitin Conjugating Enzyme, Ube2k.
Acs Chem.Biol., 16, 2021
7PRY
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BU of 7pry by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with COVOX-45 and beta-6 Fabs
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, Beta-6 Fab heavy chain, Beta-6 Fab light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-09-22
公開日2021-12-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022

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