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4WYL
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BU of 4wyl by Molmil
Mutant K18E of 3D polymerase from Foot-and-Moth Disease Virus
分子名称: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Ferrer-Orta, C, Verdaguer, N, de la Higuera, I, Domingo, E.
登録日2014-11-17
公開日2015-05-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
5T16
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BU of 5t16 by Molmil
Crystal structure of yeast RNase III (Rnt1p) complexed with a non-hydrolyzable RNA substrate analog
分子名称: 1,2-ETHANEDIOL, RNA substrate analog, Ribonuclease 3
著者Song, H, Ji, X.
登録日2016-08-18
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.783 Å)
主引用文献The Functional Cycle of Rnt1p: Five Consecutive Steps of Double-Stranded RNA Processing by a Eukaryotic RNase III.
Structure, 25, 2017
2PQF
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BU of 2pqf by Molmil
Human Poly(ADP-Ribose) Polymerase 12, Catalytic fragment in complex with an inhibitor 3-Aminobenzoic acid
分子名称: 3-AMINOBENZOIC ACID, CITRIC ACID, Poly [ADP-ribose] polymerase 12
著者Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hogbom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
登録日2007-05-02
公開日2007-05-15
最終更新日2015-04-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein.
J.Biol.Chem., 290, 2015
2PHZ
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BU of 2phz by Molmil
Crystal structure of Iron-uptake system-binding protein FeuA from Bacillus subtilis. Northeast Structural Genomics target SR580.
分子名称: Iron-uptake system-binding protein
著者Benach, J, Neely, H, Seetharaman, J, Chen, C.X, Cunningham, K, Ma, L.-C, Janjua, H, Xiao, R, Baran, M, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-04-12
公開日2007-04-24
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of Iron-uptake system-binding protein FeuA from Bacillus subtilis.
To be Published
5T9G
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BU of 5t9g by Molmil
Crystal structure of BuGH2Cwt in complex with Galactoisofagomine
分子名称: 1,2-ETHANEDIOL, D-galacto-isofagomine, Glycoside Hydrolase
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
2PR9
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BU of 2pr9 by Molmil
Mu2 adaptin subunit (AP50) of AP2 adaptor (second domain), complexed with GABAA receptor-gamma2 subunit-derived internalization peptide DEEYGYECL
分子名称: AP-2 complex subunit mu-1, GABA(A) receptor subunit gamma-2 peptide
著者Vahedi-Faridi, A, Haucke, V, Kittler, J.T, Kukhtina, V, Moss, S.J, Saenger, W, Chen, G.-J, Tretter, V, Smith, K, Yan, Z, McAinsh, K, Arancibia-Carcamo, L.
登録日2007-05-04
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Regulation of synaptic inhibition by phospho-dependent binding of the AP2 complex to a YECL motif in the GABAA receptor gamma2 subunit.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6C31
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BU of 6c31 by Molmil
Crystal structure of TetR family protein Rv0078 in complex with DNA
分子名称: DNA (5'-D(*GP*TP*TP*AP*CP*CP*GP*GP*CP*AP*GP*TP*CP*TP*GP*CP*TP*TP*GP*TP*AP*AP*A)-3'), DNA (5'-D(P*AP*CP*AP*AP*GP*CP*AP*GP*AP*CP*TP*GP*CP*CP*GP*GP*TP*AP*AP*C)-3'), TetR family transcriptional regulator
著者Hsu, H.C, Li, H.
登録日2018-01-09
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Cytokinin Signaling in Mycobacterium tuberculosis.
MBio, 9, 2018
2PHH
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BU of 2phh by Molmil
THE COENZYME ANALOGUE ADENOSINE 5-DIPHOSPHORIBOSE DISPLACES FAD IN THE ACTIVE SITE OF P-HYDROXYBENZOATE HYDROXYLASE. AN X-RAY CRYSTALLOGRAPHIC INVESTIGATION
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
著者Van Derlaan, J.M, Drenth, J, Hol, W.G.J.
登録日1989-06-19
公開日1990-10-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The coenzyme analogue adenosine 5-diphosphoribose displaces FAD in the active site of p-hydroxybenzoate hydroxylase. An x-ray crystallographic investigation.
Biochemistry, 28, 1989
5SY5
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BU of 5sy5 by Molmil
Crystal Structure of the Heterodimeric NPAS1-ARNT Complex
分子名称: Aryl hydrocarbon receptor nuclear translocator, Neuronal PAS domain-containing protein 1
著者Wu, D, Su, X, Potluri, N, Kim, Y, Rastinejad, F.
登録日2016-08-10
公開日2016-11-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.201 Å)
主引用文献NPAS1-ARNT and NPAS3-ARNT crystal structures implicate the bHLH-PAS family as multi-ligand binding transcription factors.
Elife, 5, 2016
6BYT
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BU of 6byt by Molmil
Complex structure of LOR107 mutant (R320) with tetrasaccharide substrate
分子名称: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose, CALCIUM ION, GLYCEROL, ...
著者Ulaganathan, T.S, Cygler, M.
登録日2017-12-21
公開日2018-02-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-function analyses of a PL24 family ulvan lyase reveal key features and suggest its catalytic mechanism.
J. Biol. Chem., 293, 2018
2ODN
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BU of 2odn by Molmil
MSRECA-dATP complex
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Protein recA
著者Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M.
登録日2006-12-24
公開日2007-06-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
4WMH
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BU of 4wmh by Molmil
Structure of heme oxygenase-2 containing residues 1-288 lacking the membrane spanning region
分子名称: CHLORIDE ION, Heme oxygenase 2
著者Bianchetti, C.M, Li, Y, Ragsdale, S.W, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
登録日2014-10-09
公開日2014-11-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of heme oxygenase-2 containing residues 1-288 lacking the membrane spanning region
To Be Published
5SWL
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BU of 5swl by Molmil
Crystal Structure of ATPase delta1-79 Spa47 E188A
分子名称: Probable ATP synthase SpaL/MxiB, SULFATE ION
著者Morales, Y, Johnson, S.J, Burgess, J.L, Burgess, R.A, Dickenson, N.E.
登録日2016-08-08
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and Biochemical Characterization of Spa47 Provides Mechanistic Insight into Type III Secretion System ATPase Activation and Shigella Virulence Regulation.
J. Biol. Chem., 291, 2016
4YEE
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BU of 4yee by Molmil
beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclodextrin
分子名称: 5'-AMP-activated protein kinase subunit beta-2, Cyclic alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-[alpha-D-glucopyranose-(1-6)]alpha-D-glucopyranose, GLYCEROL
著者Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M.
登録日2015-02-24
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
6BU3
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BU of 6bu3 by Molmil
CTX-M-27 Beta-Lactamase in Complex with a Non-Covalent Tetrazole Inhibitor
分子名称: Beta-lactamase, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, SULFATE ION
著者Pemberton, O.A, Chen, Y.
登録日2017-12-08
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Antibacterial Spectrum of a Tetrazole-Based Reversible Inhibitor of Serine beta-Lactamases.
Antimicrob. Agents Chemother., 62, 2018
4YJ5
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BU of 4yj5 by Molmil
Crystal structure of PKM2 mutant
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, PYRUVIC ACID, ...
著者Liu, J.-S, Wu, C.-W, Wang, W.-C.
登録日2015-03-03
公開日2016-03-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Mutations in the PKM2 exon-10 region are associated with reduced allostery and increased nuclear translocation
Commun Biol, 2, 2019
2OHI
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BU of 2ohi by Molmil
Crystal Structure of coenzyme F420H2 oxidase (FprA), a diiron flavoprotein, reduced state
分子名称: CHLORIDE ION, FE (III) ION, FLAVIN MONONUCLEOTIDE, ...
著者Seedorf, H, Warkentin, E, Ermler, U.
登録日2007-01-10
公開日2007-05-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of coenzyme F420H2 oxidase (FprA), a di-iron flavoprotein from methanogenic Archaea catalyzing the reduction of O2 to H2O.
Febs J., 274, 2007
5T4E
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BU of 5t4e by Molmil
Human DPP4 in complex with ligand 19a
分子名称: 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3H)-one, 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Scapin, G.
登録日2016-08-29
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors.
Bioorg.Med.Chem., 24, 2016
5V3C
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BU of 5v3c by Molmil
Crystal structure of TGT in complex with 4-(aminomethane)cyclohexane-1-carboxylic acid
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Queuine tRNA-ribosyltransferase, ...
著者Hassaan, E, Heine, A, Klebe, G.
登録日2017-03-07
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.419 Å)
主引用文献Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
5UOA
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BU of 5uoa by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 3-[(2-Amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, CHLORIDE ION, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2017-01-31
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
2NSB
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BU of 2nsb by Molmil
Structures of and interactions between domains of trigger factor from Themotoga maritima
分子名称: Trigger factor
著者Martinez-Hackert, E, Hendrickson, W.A.
登録日2006-11-03
公開日2007-03-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of and interactions between domains of trigger factor from Thermotoga maritima.
Acta Crystallogr.,Sect.D, 63, 2007
4YMN
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BU of 4ymn by Molmil
Structure of human DNA polymerase beta complexed with N7BG in the template base paired with incoming non-hydrolyzable CTP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA 10-mer (up-primer), DNA 16-mer (template), ...
著者Lee, S, Koag, M.-C.
登録日2015-03-06
公開日2016-03-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.591 Å)
主引用文献Structural and kinetic studies of the effect of guanine-N7 alkylation and metal cofactors on DNA replication.
Biochemistry, 2018
6BX4
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BU of 6bx4 by Molmil
The crystal structure of fluoride channel Fluc Ec2 with Monobody S9
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, FLUORIDE ION, Fluoride ion transporter CrcB, ...
著者Turman, D.L, Miller, C.
登録日2017-12-16
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Molecular Interactions between a Fluoride Ion Channel and Synthetic Protein Blockers.
Biochemistry, 57, 2018
2OBI
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BU of 2obi by Molmil
Crystal structure of the Selenocysteine to Cysteine Mutant of human phospholipid hydroperoxide glutathione peroxidase (GPx4)
分子名称: Phospholipid hydroperoxide glutathione peroxidase (GPX4)
著者Scheerer, P, Krauss, N, Hoehne, W.
登録日2006-12-19
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis for catalytic activity and enzyme polymerization of phospholipid hydroperoxide glutathione peroxidase-4 (GPx4).
Biochemistry, 46, 2007
6BYP
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BU of 6byp by Molmil
Structure of PL24 family Polysaccharide lyase-LOR107
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Ulaganathan, T.S, Cygler, M.
登録日2017-12-21
公開日2018-02-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-function analyses of a PL24 family ulvan lyase reveal key features and suggest its catalytic mechanism.
J. Biol. Chem., 293, 2018

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