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4JPL
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Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Azaindole
分子名称: 1H-pyrrolo[3,2-b]pyridine, Cytochrome c peroxidase, PHOSPHATE ION, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-19
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JQK
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BU of 4jqk by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-(2-aminopyridin-1-ium-1-yl)ethanol
分子名称: 2-(2-aminopyridin-1-ium-1-yl)ethanol, Cytochrome c peroxidase, PHOSPHATE ION, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-20
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4J5W
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BU of 4j5w by Molmil
Crystal Structure of the apo-PXR/RXRalpha LBD Heterotetramer Complex
分子名称: MAGNESIUM ION, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1, ...
著者Wallace, B.D, Betts, L, Redinbo, M.R.
登録日2013-02-10
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and Functional Analysis of the Human Nuclear Xenobiotic Receptor PXR in Complex with RXRalpha.
J.Mol.Biol., 425, 2013
1QIE
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BU of 1qie by Molmil
SPECIFIC CHEMICAL AND STRUCTURAL DAMAGE AT NINE TIME POINTS (POINT B) CAUSED BY INTENSE SYNCHROTRON RADIATION TO TORPEDO CALIFORNICA ACETYLCHOLINESTERASE
分子名称: ACETYLCHOLINESTERASE
著者Kryger, G, Weik, M, Ravelli, R.B.G.
登録日1999-06-14
公開日2000-01-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Specific chemical and structural damage to proteins produced by synchrotron radiation.
Proc.Natl.Acad.Sci.USA, 97, 2000
4J9R
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BU of 4j9r by Molmil
Human DNA polymerase eta-DNA translocated binary complex with TG mispair
分子名称: DNA (5'-D(*T*AP*CP*TP*TP*AP*TP*GP*AP*CP*GP*T)-3'), DNA (5'-D(P*TP*AP*CP*GP*TP*CP*AP*TP*G)-3'), DNA polymerase eta, ...
著者Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W.
登録日2013-02-16
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JLA
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BU of 4jla by Molmil
Crystal Structure of Adenylate kinase with 2 ADP's in the active site
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JLT
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Crystal structure of P450 2B4(H226Y) in complex with paroxetine
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, GLYCEROL, ...
著者Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R.
登録日2013-03-13
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献A Structural Snapshot of CYP2B4 in Complex with Paroxetine Provides Insights into Ligand Binding and Clusters of Conformational States.
J.Pharmacol.Exp.Ther., 346, 2013
4JM6
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BU of 4jm6 by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,4-diaminopyrimidine
分子名称: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-13
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JO7
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Crystal structure of the human Nup49CCS2+3* Nup57CCS3* complex with 2:2 stoichiometry
分子名称: Nucleoporin p54, Nucleoporin p58/p45
著者Stuwe, T, Bley, C.J, Mayo, D.J, Hoelz, A.
登録日2013-03-17
公開日2014-09-17
最終更新日2016-02-03
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Architecture of the fungal nuclear pore inner ring complex.
Science, 350, 2015
4JV1
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BU of 4jv1 by Molmil
Ternary complex of gamma-OHPDG adduct modified dna with dna (-1 primer) polymerase iv and incoming dgtp
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ...
著者Banerjee, S, Shanmugam, G, Stone, M.P.
登録日2013-03-25
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4.
Chem.Res.Toxicol., 26, 2013
4JYA
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BU of 4jya by Molmil
Crystal structures of pseudouridinilated stop codons with ASLs
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V.
登録日2013-03-29
公開日2013-06-26
最終更新日2013-08-21
実験手法X-RAY DIFFRACTION (3.098 Å)
主引用文献Unusual base pairing during the decoding of a stop codon by the ribosome.
Nature, 500, 2013
4J9S
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BU of 4j9s by Molmil
Human DNA polymerase eta-DNA translocated binary complex: with TA base pair
分子名称: DNA (5'-D(*T*AP*TP*TP*TP*AP*TP*GP*AP*CP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*GP*TP*CP*AP*TP*A)-3'), DNA polymerase eta, ...
著者Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W.
登録日2013-02-16
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
3LNB
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BU of 3lnb by Molmil
Crystal Structure Analysis of Arylamine N-acetyltransferase C from Bacillus anthracis
分子名称: COENZYME A, FORMIC ACID, N-acetyltransferase family protein
著者Li de la Sierra-Gallay, I, Pluvinage, B, Rodrigues-Lima, F.
登録日2010-02-02
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The Bacillus anthracis arylamine N-acetyltransferase ((BACAN)NAT1) that inactivates sulfamethoxazole, reveals unusual structural features compared with the other NAT isoenzymes.
Febs Lett., 585, 2011
3LO6
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Crystal structure of human alpha-defensin 1 (W26Aba mutant)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Neutrophil defensin 1
著者Pazgier, M, Lu, W.
登録日2010-02-03
公開日2010-03-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Trp-26 imparts functional versatility to human alpha-defensin HNP1.
J.Biol.Chem., 285, 2010
3LO4
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Crystal structure of human alpha-defensin 1 (R24A mutant)
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Neutrophil defensin 1
著者Pazgier, M, Lu, W.
登録日2010-02-03
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Trp-26 imparts functional versatility to human alpha-defensin HNP1.
J.Biol.Chem., 285, 2010
6XV9
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BU of 6xv9 by Molmil
Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor
分子名称: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
著者Ogg, D.J, Howard, T, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
登録日2020-01-21
公開日2020-05-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
3LQ2
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BU of 3lq2 by Molmil
E. coli pyruvate dehydrogenase complex E1 E235A mutant with low TDP concentration
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
著者Furey, W.
登録日2010-02-08
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms.
J.Biol.Chem., 285, 2010
6O9S
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Crystal structure of Staphylococcus aureus MecR1 antibiotic-sensor domain in complex with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Methicillin resistance mecR1 protein, SULFATE ION
著者Alexander, J.A.N, Strynadka, N.C.J.
登録日2019-03-14
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural analysis of avibactam-mediated activation of the bla and mec divergons in methicillin-resistant Staphylococcus aureus .
J.Biol.Chem., 295, 2020
6XVA
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BU of 6xva by Molmil
Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor bearing an acrylamide
分子名称: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide
著者Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
登録日2020-01-21
公開日2020-05-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
3D9G
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BU of 3d9g by Molmil
Nitroalkane oxidase: wild type crystallized in a trapped state forming a cyanoadduct with FAD
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Nitroalkane oxidase, ...
著者Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M.
登録日2008-05-27
公開日2009-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of intermediates in the nitroalkane oxidase reaction.
Biochemistry, 48, 2009
7OSO
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The crystal structure of Erwinia tasmaniensis levansucrase in complex with (S)-1,2,4-butanentriol
分子名称: (2~{S})-butane-1,2,4-triol, Levansucrase (Beta-D-fructofuranosyl transferase), ZINC ION
著者Polsinelli, I, Salomone-Stagni, M, Benini, S.
登録日2021-06-09
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Erwinia tasmaniensis levansucrase shows enantiomer selection for (S)-1,2,4-butanetriol.
Acta Crystallogr.,Sect.F, 78, 2022
3L7C
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BU of 3l7c by Molmil
Crystal Structure of Glycogen Phosphorylase DK4 complex
分子名称: 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
著者Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D.
登録日2009-12-28
公開日2010-10-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies.
Bioorg.Med.Chem., 18, 2010
3LAC
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Crystal structure of Bacillus anthracis pyrrolidone-carboxylate peptidase, pcP
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Pyrrolidone-carboxylate peptidase
著者Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Hasseman, J, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-01-06
公開日2010-01-19
最終更新日2011-12-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Bacillus anthracis pyrrolidone-carboxylate peptidase, pcP
To be Published
7OUE
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Crystal structure of a trapped Pab-AGOG/single-standed DNA covalent intermediate
分子名称: DNA (5'-D(*TP*TP*TP*(PED)P*TP*TP*TP*CP*T)-3'), N-glycosylase/DNA lyase, PHOSPHATE ION, ...
著者Coste, F, Goffinont, S, Flament, D, Castaing, B.
登録日2021-06-11
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing.
Nucleic Acids Res., 50, 2022
6OH7
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Crystal structure of (E)-biformene synthase LrdC from Streptomyces sp. strain K155 in complex with Mg
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Labdane-related diterpene synthase, ...
著者Centeno-Leija, S, Serrano-Posada, H.
登録日2019-04-04
公開日2019-04-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The structure of (E)-biformene synthase provides insights into the biosynthesis of bacterial bicyclic labdane-related diterpenoids.
J.Struct.Biol., 207, 2019

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