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3IE3
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Structural basis for the binding of the anti-cancer compound 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) to human glutathione S-transferases
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol, GLUTATHIONE, ...
著者Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M.
登録日2009-07-22
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases
Cancer Res., 69, 2009
2WM4
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BU of 2wm4 by Molmil
X-ray structure of Mycobacterium tuberculosis cytochrome P450 CYP124 in complex with phytanic acid
分子名称: (3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Johnston, J.B, Kells, P.M, Podust, L.M, Ortiz de Montellano, P.R.
登録日2009-06-30
公開日2009-10-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Biochemical and structural characterization of CYP124: a methyl-branched lipid omega-hydroxylase from Mycobacterium tuberculosis.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009
2W6E
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BU of 2w6e by Molmil
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration:hydration state 1.
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ...
著者Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F.
登録日2008-12-18
公開日2009-10-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (6.5 Å)
主引用文献Improving Diffraction by Humidity Control: A Novel Device Compatible with X-Ray Beamlines.
Acta Crystallogr.,Sect.D, 65, 2009
2W44
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BU of 2w44 by Molmil
Structure DeltaA1-A4 insulin
分子名称: CHLORIDE ION, INSULIN, RESORCINOL, ...
著者Thorsoee, K.S, Schlein, M, Brandt, J, Schluckebier, G, Naver, H.
登録日2008-11-21
公開日2009-12-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetic Evidence for the Sequential Association of Insulin Binding Sites 1 and 2 to the Insulin Receptor and the Influence of Receptor Isoform.
Biochemistry, 49, 2010
2W6J
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BU of 2w6j by Molmil
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 5.
分子名称: ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ...
著者Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F.
登録日2008-12-18
公開日2009-10-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.84 Å)
主引用文献Improving diffraction by humidity control: a novel device compatible with X-ray beamlines.
Acta Crystallogr. D Biol. Crystallogr., 65, 2009
3KFO
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BU of 3kfo by Molmil
Crystal structure of the C-terminal domain from the nuclear pore complex component NUP133 from Saccharomyces cerevisiae
分子名称: GLYCEROL, Nucleoporin NUP133
著者Sampathkumar, P, Bonanno, J.B, Miller, S, Bain, K, Dickey, M, Gheyi, T, Almo, S.C, Rout, M, Sali, A, Phillips, J, Pieper, U, Fernandez-Martinez, J, Franke, J.D, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-10-27
公開日2010-01-26
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the C-terminal domain of Saccharomyces cerevisiae Nup133, a component of the nuclear pore complex.
Proteins, 79, 2011
3JZS
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BU of 3jzs by Molmil
Human MDM2 liganded with a 12mer peptide inhibitor (pDIQ)
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2, pDIQ peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-24
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
2WGT
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BU of 2wgt by Molmil
Structure of human adenovirus serotype 37 fibre head in complex with a sialic acid derivative, O-Methyl 5-N-propaonyl-3,5-dideoxy-D- glycero-a-D-galacto-2-nonulopyranosylonic acid
分子名称: 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, FIBER PROTEIN, ZINC ION
著者Johansson, S, Nilsson, E, Qian, W, Guilligay, D, Crepin, T, Cusack, S, Arnberg, N, Elofsson, M.
登録日2009-04-27
公開日2009-11-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, Synthesis, and Evaluation of N-Acyl Modified Sialic Acids as Inhibitors of Adenoviruses Causing Epidemic Keratoconjunctivitis.
J.Med.Chem., 52, 2009
3JCX
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BU of 3jcx by Molmil
Canine Parvovirus complexed with Fab E
分子名称: Capsid protein 2, Fab E heavy chain, Fab E light chain
著者Organtini, L.J, Iketani, S, Huang, K, Ashley, R.E, Makhov, A.M, Conway, J.F, Parrish, C.R, Hafenstein, S.
登録日2016-03-21
公開日2016-07-20
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Near-Atomic Resolution Structure of a Highly Neutralizing Fab Bound to Canine Parvovirus.
J.Virol., 90, 2016
3FCB
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BU of 3fcb by Molmil
Crystal structure of transthyretin in complex with iododiflunisal-betaAlaOH
分子名称: N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINE, transthyretin
著者Gales, L, Damas, A.M.
登録日2008-11-21
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Iodine atoms: a new molecular feature for the design of potent transthyretin fibrillogenesis inhibitors.
Plos One, 4, 2009
3FNE
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BU of 3fne by Molmil
Crystal structure of InhA bound to triclosan derivative 17
分子名称: 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Wang, F.
登録日2008-12-24
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Triclosan Derivatives: Towards Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis.
Chemmedchem, 4, 2009
3JQD
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BU of 3jqd by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (DX7)
分子名称: 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
2WBV
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BU of 2wbv by Molmil
Canine adenovirus 2 fibre head in complex with sialic acid
分子名称: FIBER PROTEIN, GLYCEROL, N-acetyl-alpha-neuraminic acid, ...
著者Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J.
登録日2009-03-05
公開日2009-03-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Cell Adhesion Molecule "Car" and Sialic Acid on Human Erythrocytes Influence Adenovirus in Vivo Biodistribution.
Plos Pathog., 5, 2009
3L4D
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BU of 3l4d by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51) from Leishmania infantum in complex with fluconazole
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Lepesheva, G.I, Hargrove, T.Y, Wawrzak, Z, Waterman, M.R.
登録日2009-12-19
公開日2009-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Substrate Preferences and Catalytic Parameters Determined by Structural Characteristics of Sterol 14{alpha}-Demethylase (CYP51) from Leishmania infantum.
J.Biol.Chem., 286, 2011
3KNP
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BU of 3knp by Molmil
Crystal structure of DTD from Plasmodium falciparum
分子名称: D-tyrosyl-tRNA(Tyr) deacylase
著者Manickam, Y, Bhatt, T.K, Sharma, A.
登録日2009-11-12
公開日2009-12-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
3FC8
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BU of 3fc8 by Molmil
Crystal structure of transthyretin in complex with iododiflunisal-betaAlaOMe
分子名称: METHYL N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINATE, transthyretin
著者Gales, L, Damas, A.M.
登録日2008-11-21
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Iodine atoms: a new molecular feature for the design of potent transthyretin fibrillogenesis inhibitors.
Plos One, 4, 2009
3KM6
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BU of 3km6 by Molmil
Crystal Structure of the Human GST Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate
分子名称: CALCIUM ION, ETHACRYNIC ACID, GLUTATHIONE, ...
著者Parker, L.J.
登録日2009-11-10
公開日2010-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Diuretic drug binding to human glutathione transferase P1-1: potential role of Cys-101 revealed in the double mutant C47S/Y108V.
J.Mol.Recognit., 24
2WUU
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BU of 2wuu by Molmil
Structure of N-myristoyltransferase from L. donovani
分子名称: 2-oxopentadecyl-CoA, N-MYRISTOYLTRANSFERASE
著者Brannigan, J.A, Smith, B.A, Yu, Z, Hodgkinson, M.R, Leatherbarrow, R.J, Tate, E.W, Brzozowski, A.M, Smith, D.F, Wilkinson, A.J.
登録日2009-10-09
公開日2009-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献N-Myristoyltransferase from Leishmania Donovani: Structural and Functional Characterisation of a Potential Drug Target for Visceral Leishmaniasis.
J.Mol.Biol., 396, 2010
2W6H
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BU of 2w6h by Molmil
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 4A.
分子名称: ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ...
著者Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F.
登録日2008-12-18
公開日2009-10-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (5 Å)
主引用文献Improving diffraction by humidity control: a novel device compatible with X-ray beamlines.
Acta Crystallogr. D Biol. Crystallogr., 65, 2009
3FVU
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BU of 3fvu by Molmil
Crystal Structure of Human Kynurenine Aminotransferase I in Complex with Indole-3-acetic Acid
分子名称: 1H-INDOL-3-YLACETIC ACID, GLYCEROL, Kynurenine--oxoglutarate transaminase 1, ...
著者Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J.
登録日2009-01-16
公開日2009-05-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural insight into the inhibition of human kynurenine aminotransferase I/glutamine transaminase K
J.Med.Chem., 52, 2009
3K7P
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BU of 3k7p by Molmil
Structure of mutant of ribose 5-phosphate isomerase type B from Trypanosoma cruzi.
分子名称: PHOSPHATE ION, Ribose 5-phosphate isomerase
著者Naworyta, A, Mowbray, S.L, Stern, A.L.
登録日2009-10-13
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structures of type B ribose 5-phosphate isomerase from Trypanosoma cruzi shed light on the determinants of sugar specificity in the structural family.
Febs J., 278, 2011
3G2L
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BU of 3g2l by Molmil
Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex with glycogen phosphorylase
分子名称: 1-beta-D-glucopyranosyl-4-naphthalen-1-yl-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form
著者Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
登録日2009-01-31
公開日2010-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
3JQA
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BU of 3jqa by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-1,9-dihydro-6H-purine-6-thione (DX4)
分子名称: 2-amino-1,9-dihydro-6H-purine-6-thione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
2W6F
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BU of 2w6f by Molmil
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 2.
分子名称: ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ...
著者Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F.
登録日2008-12-18
公開日2009-10-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Improving diffraction by humidity control: a novel device compatible with X-ray beamlines.
Acta Crystallogr. D Biol. Crystallogr., 65, 2009
2VRN
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BU of 2vrn by Molmil
The structure of the stress response protein DR1199 from Deinococcus radiodurans: a member of the DJ-1 superfamily
分子名称: MAGNESIUM ION, PROTEASE I
著者Fioravanti, E, Dura, M.A, Lascoux, D, Micossi, E, McSweeney, S.
登録日2008-04-09
公開日2008-10-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of the stress response protein DR1199 from Deinococcus radiodurans: a member of the DJ-1 superfamily.
Biochemistry, 47, 2008

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