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3NKU
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Crystal structure of the N-terminal domain of DrrA/SidM from Legionella pneumophila
分子名称: DI(HYDROXYETHYL)ETHER, DrrA, TRIETHYLENE GLYCOL
著者Mueller, M.P, Peters, H, Blankenfeldt, W, Goody, R.S, Itzen, A.
登録日2010-06-21
公開日2010-08-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Legionella effector protein DrrA AMPylates the membrane traffic regulator Rab1b.
Science, 329, 2010
3N6O
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Crystal structure of the GEF and P4M domain of DrrA/SidM from Legionella pneumophila
分子名称: SULFATE ION, guanine nucleotide exchange factor
著者Schoebel, S, Blankenfeldt, W, Goody, R.S, Itzen, A.
登録日2010-05-26
公開日2010-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献High-affinity binding of phosphatidylinositol 4-phosphate by Legionella pneumophila DrrA.
Embo Rep., 11, 2010
3MYM
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Mutation of Methionine-86 in Dehaloperoxidase-hemoglobin: Effects of the Asp-His-Fe Triad in a 3/3 Globin
分子名称: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者de Serrano, V.S, D'Antonio, E.L, Franzen, S, Bowden, E.F.
登録日2010-05-10
公開日2011-04-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Functional consequences of the creation of an Asp-His-Fe triad in a 3/3 globin.
Biochemistry, 50, 2011
7OFU
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Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester
分子名称: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
著者Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
登録日2021-05-05
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7OFS
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Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol
分子名称: 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ...
著者Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
登録日2021-05-05
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7OFT
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Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde
分子名称: CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ...
著者Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
登録日2021-05-05
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
3NFF
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Crystal structure of extended Dimerization module of RNA polymerase I subcomplex A49/A34.5
分子名称: RNA polymerase I subunit A34.5, RNA polymerase I subunit A49
著者Geiger, S.R, Lorenzen, K, Schreieck, A, Hanecker, P, Kostrewa, D, Heck, A.J.R, Cramer, P.
登録日2010-06-10
公開日2010-09-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献RNA Polymerase I Contains a TFIIF-Related DNA-Binding Subcomplex.
Mol.Cell, 39, 2010
3NKV
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Crystal structure of Rab1b covalently modified with AMP at Y77
分子名称: ADENOSINE MONOPHOSPHATE, BARIUM ION, MAGNESIUM ION, ...
著者Mueller, M.P, Peters, H, Blankenfeldt, W, Goody, R.S, Itzen, A.
登録日2010-06-21
公開日2010-08-04
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Legionella effector protein DrrA AMPylates the membrane traffic regulator Rab1b.
Science, 329, 2010
4IZ0
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BU of 4iz0 by Molmil
Crystal structure of HCV NS5B polymerase in complex with 2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
分子名称: 2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide, RNA-directed RNA polymerase
著者Coulombe, R.
登録日2013-01-29
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
3L08
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Structure of Pi3K gamma with a potent inhibitor: GSK2126458
分子名称: 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Elkins, P.A, Marrero, E.M.
登録日2009-12-09
公開日2010-06-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin.
ACS Med Chem Lett, 1, 2010
3NFH
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Crystal structure of tandem winged helix domain of RNA polymerase I subunit A49 (P4)
分子名称: DNA-directed RNA polymerase I subunit RPA49
著者Geiger, S.R, Lorenzen, K, Schreieck, A, Hanecker, P, Kostrewa, D, Heck, A.J.R, Cramer, P.
登録日2010-06-10
公開日2010-09-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献RNA Polymerase I Contains a TFIIF-Related DNA-Binding Subcomplex.
Mol.Cell, 39, 2010
3NFI
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Crystal structure of tandem winged helix domain of RNA polymerase I subunit A49
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DNA-directed RNA polymerase I subunit RPA49
著者Geiger, S.R, Lorenzen, K, Schreieck, A, Hanecker, P, Kostrewa, D, Heck, A.J.R, Cramer, P.
登録日2010-06-10
公開日2010-09-08
最終更新日2015-03-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献RNA Polymerase I Contains a TFIIF-Related DNA-Binding Subcomplex.
Mol.Cell, 39, 2010
6SDS
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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFONAMIDE INHIBITOR
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
著者Alterio, V, De Simone, G, Esposito, D.
登録日2019-07-29
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 63, 2020
1QYA
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CRYSTAL STRUCTURE OF E. COLI PROTEIN YDDE
分子名称: HYPOTHETICAL PROTEIN yddE
著者Grassick, A, Sulzenbacher, G, Roig-Zamboni, V, Campanacci, V, Cambillau, C, Bourne, Y.
登録日2003-09-10
公開日2004-06-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of E. coli yddE protein reveals a striking homology with diaminopimelate epimerase
Proteins, 55, 2004
1QXB
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NMR structure determination of the self complementary DNA Dodecamer CGCGAATT*CGCG in which a ribose is inserted between the 3'-OH of T8 and the 5'-phosphate group of C9
分子名称: 5'-d(CpGpCpGpApApTpTpCpGpCpG)-3', beta-D-ribofuranose
著者Nauwelaerts, K, Vastmans, K, Froeyen, M, Kempeneers, V, Rozenski, J, Rosemeyer, H, Van Aerschot, A, Busson, R, Efimtseva, E, Mikhailov, S, Lescrinier, E, Herdewijn, P.
登録日2003-09-05
公開日2004-02-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Cleavage of DNA without loss of genetic information by incorporation of a disaccharide nucleoside.
Nucleic Acids Res., 31, 2003
1QY9
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Crystal structure of E. coli Se-MET protein YDDE
分子名称: GLYCEROL, HYDROXIDE ION, HYPOTHETICAL PROTEIN yddE
著者Grassick, A, Sulzenbacher, G, Roig-Zamboni, V, Campanacci, V, Cambillau, C, Bourne, Y.
登録日2003-09-10
公開日2004-06-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of E. coli yddE protein reveals a striking homology with diaminopimelate epimerase
Proteins, 55, 2004
6STG
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BU of 6stg by Molmil
Human Rab8a phosphorylated at Ser111 in complex with GPPNP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Vieweg, S, Mulholland, K, Braeuning, B, Kachariya, N, Lai, Y, Toth, R, Sattler, M, Groll, M, Itzen, A, Muqit, M.M.K.
登録日2019-09-10
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献PINK1-dependent phosphorylation of Serine111 within the SF3 motif of Rab GTPases impairs effector interactions and LRRK2-mediated phosphorylation at Threonine72.
Biochem.J., 477, 2020
1SRJ
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STRUCTURE-BASED DESIGN OF SYNTHETIC AZOBENZENE LIGANDS FOR STREPTAVIDIN
分子名称: 2-((4'-HYDROXYNAPHTHYL)-AZO)BENZOIC ACID, STREPTAVIDIN
著者Weber, P.C, Salemme, F.R.
登録日1994-02-17
公開日1994-11-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Design of Synthetic Azobenzene Ligands for Streptavidin
J.Am.Chem.Soc., 116, 1994
1SJQ
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NMR Structure of RRM1 from Human Polypyrimidine Tract Binding Protein Isoform 1 (PTB1)
分子名称: Polypyrimidine tract-binding protein 1
著者Simpson, P.J, Monie, T.P, Szendroi, A, Davydova, N, Tyzack, J.K, Conte, M.R, Read, C.M, Cary, P.D, Svergun, D.I, Konarev, P.V, Petoukhov, M.V, Curry, S, Matthews, S.J.
登録日2004-03-04
公開日2004-09-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and RNA Interactions of the N-Terminal RRM Domains of PTB
Structure, 12, 2004
7PXZ
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Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation
分子名称: 3C-like proteinase nsp5, CHLORIDE ION
著者Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J.
登録日2021-10-08
公開日2023-01-18
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
7PZQ
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Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J.
登録日2021-10-13
公開日2023-01-25
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
1J7N
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Anthrax Toxin Lethal factor
分子名称: Lethal Factor precursor, SULFATE ION, ZINC ION
著者Pannifer, A.D, Wong, T.Y, Schwarzenbacher, R, Renatus, M, Petosa, C, Collier, R.J, Bienkowska, J, Lacy, D.B, Park, S, Leppla, S.H, Hanna, P, Liddington, R.C.
登録日2001-05-17
公開日2001-11-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the anthrax lethal factor.
Nature, 414, 2001
1ILC
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DNA Bending by an Adenine-Thymine Tract and Its Role in Gene Regulation.
分子名称: 5'-D(*AP*CP*CP*GP*AP*AP*TP*TP*CP*GP*GP*T)-3'
著者Hizver, J, Rozenberg, H, Frolow, F, Rabinovich, D, Shakked, Z.
登録日2001-05-08
公開日2002-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献DNA bending by an adenine--thymine tract and its role in gene regulation.
Proc.Natl.Acad.Sci.USA, 98, 2001
1SRH
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STRUCTURE-BASED DESIGN OF SYNTHETIC AZOBENZENE LIGANDS FOR STREPTAVIDIN
分子名称: 2-((3',5'-DIMETHOXY-4'-HYDROXYPHENYL)AZO)BENZOIC ACID, STREPTAVIDIN
著者Weber, P.C, Salemme, F.R.
登録日1994-02-17
公開日1994-11-01
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Design of Synthetic Azobenzene Ligands for Streptavidin
J.Am.Chem.Soc., 116, 1994
5H5E
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The crystal structure of the yeast arginine methyltransferase SFM1 complexed with SAH
分子名称: Protein arginine N-methyltransferase SFM1, S-ADENOSYL-L-HOMOCYSTEINE
著者Xie, W, Wang, C, Zeng, J.
登録日2016-11-05
公開日2017-01-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A flexible cofactor-binding loop in the novel arginine methyltransferase Sfm1.
FEBS Lett., 591, 2017

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