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3I2M
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The Crystal Structure of PF-8, the DNA Polymerase Accessory Subunit from Kaposi s Sarcoma-Associated Herpesvirus
分子名称: ORF59
著者Baltz, J.L, Filman, D.J, Ciustea, M, Silverman, J.E.Y, Lautenschlager, C.L, Coen, D.M, Ricciardi, R.P, Hogle, J.M.
登録日2009-06-29
公開日2010-05-12
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The crystal structure of PF-8, the DNA polymerase accessory subunit from Kaposi's sarcoma-associated herpesvirus.
J.Virol., 83, 2009
3HLI
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BU of 3hli by Molmil
diisopropyl fluorophosphatase (DFPase), active site mutants
分子名称: CALCIUM ION, Diisopropyl-fluorophosphatase
著者Chen, J.C.-H, Blum, M.-M.
登録日2009-05-27
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reversed enantioselectivity of diisopropyl fluorophosphatase against organophosphorus nerve agents by rational design
J.Am.Chem.Soc., 131, 2009
3HLH
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Diisopropyl fluorophosphatase (DFPase), active site mutants
分子名称: CALCIUM ION, Diisopropyl-fluorophosphatase
著者Chen, J.C.-H, Blum, M.-M.
登録日2009-05-27
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Reversed enantioselectivity of diisopropyl fluorophosphatase against organophosphorus nerve agents by rational design
J.Am.Chem.Soc., 131, 2009
3HKW
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HCV NS5B genotype 1a in complex with 1,5 benzodiazepine inhibitor 6
分子名称: (11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, GLYCEROL, NS5B RNA-dependent RNA polymerase, ...
著者Nyanguile, O, De Bondt, H.L.
登録日2009-05-26
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献1a/1b subtype profiling of nonnucleoside polymerase inhibitors of hepatitis C virus
J.Virol., 84, 2010
2V8F
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Mouse Profilin IIa in complex with a double repeat from the FH1 domain of mDia1
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, PROFILIN-2, ...
著者Kursula, P, Kursula, I, Downer, J, Witke, W, Wilmanns, M.
登録日2007-08-07
公開日2007-12-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献High-Resolution Structural Analysis of Mammalian Profilin 2A Complex Formation with Two Physiological Ligands: The Formin Homology 1 Domain of Mdia1 and the Proline-Rich Domain of Vasp.
J.Mol.Biol., 375, 2008
2VG2
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Rv2361 with IPP
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, DIPHOSPHATE, ...
著者Naismith, J.H, Wang, W, Dong, C.
登録日2007-11-07
公開日2007-11-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The structural basis of chain length control in Rv1086.
J. Mol. Biol., 381, 2008
3JQ7
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BU of 3jq7 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6-phenylpteridine-2,4,7-triamine (DX2)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-phenylpteridine-2,4,7-triamine, ACETATE ION, ...
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 (1.8 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
3JQF
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Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 1,3,5-triazine-2,4,6-triamine (AX2)
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 1,3,5-triazine-2,4,6-triamine, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
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
3KO5
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D-Tyr-tRNA(Tyr) deacylase from Plasmodium falciparum in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-tyrosyl-tRNA(Tyr) deacylase
著者Manickam, Y, Bhatt, T.K, Sharma, A.
登録日2009-11-13
公開日2009-12-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.09 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
3KP3
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Staphylococcus epidermidis in complex with ampicillin
分子名称: (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, Transcriptional regulator TcaR
著者Chang, Y.M, Chen, C.K, Wang, A.H.
登録日2009-11-15
公開日2010-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural study of TcaR and its complexes with multiple antibiotics from Staphylococcus epidermidis.
Proc.Natl.Acad.Sci.USA, 107, 2010
3G2N
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Crystal structure of N-acylglucosylamine with glycogen phosphorylase
分子名称: Glycogen phosphorylase, muscle form, N-(phenylcarbonyl)-beta-D-glucopyranosylamine
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 (2.1 Å)
主引用文献Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
3KXM
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Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor K74
分子名称: Casein kinase II subunit alpha, N-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
著者Papinutto, E, Franchin, C, Battistutta, R.
登録日2009-12-03
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
2W5H
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Human Nek2 kinase Apo
分子名称: SERINE/THREONINE-PROTEIN KINASE NEK2
著者Bayliss, R.
登録日2008-12-10
公開日2008-12-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Insights Into the Conformational Variability and Regulation of Human Nek2 Kinase.
J.Mol.Biol., 386, 2009
3KXG
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Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64)
分子名称: 3,4,5,6,7-pentabromo-1H-indazole, Casein kinase II subunit alpha
著者Papinutto, E, Franchin, C, Battistutta, R.
登録日2009-12-03
公開日2010-11-17
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3HSL
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BU of 3hsl by Molmil
The Crystal Structure of PF-8, the DNA Polymerase Accessory Subunit from Kaposi's Sarcoma-Associated Herpesvirus
分子名称: ORF59
著者Baltz, J.L, Filman, D.J, Ciustea, M, Silverman, J.E.Y, Lautenschlager, C.L, Coen, D.M, Ricciardi, R.P, Hogle, J.M.
登録日2009-06-10
公開日2009-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of PF-8, the DNA polymerase accessory subunit from Kaposi's sarcoma-associated herpesvirus.
J.Virol., 83, 2009
2XYG
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Caspase-3:CAS329306
分子名称: CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide
著者Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R.
登録日2010-11-17
公開日2011-08-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety.
Acta Crystallogr.,Sect.F, 67, 2011
2XDC
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Structure of linear gramicidin D obtained using Type I crystals grown in a lipid cubic phase.
分子名称: GRAMICIDIN A, POLYETHYLENE GLYCOL (N=34), SODIUM ION
著者Hoefer, N, Aragao, D, Caffrey, M.
登録日2010-04-30
公開日2010-08-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallizing Transmembrane Peptides in Lipidic Mesophases
Biophys.J., 99, 2010
2Y5M
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STRUCTURE OF LINEAR GRAMICIDIN D OBTAINED USING TYPE I CRYSTALS GROWN IN A 7.7 MONOACYLGLYCEROL LIPID CUBIC PHASE.
分子名称: POLYETHYLENE GLYCOL (N=34), VAL-GRAMICIDIN A
著者Hoefer, N, Aragao, D, Caffrey, M.
登録日2011-01-14
公開日2011-05-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Membrane Protein Crystallization in Lipidic Mesophases. Hosting Lipid Effects on the Crystallization and Structure of a Transmembrane Peptide
Cryst.Growth Des., 11, 2011
3HRB
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BU of 3hrb by Molmil
p38 kinase Crystal structure in complex with small molecule inhibitor
分子名称: Mitogen-activated protein kinase 14, [3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone
著者Segarra, V, Lumeras, W, Vidal, B, Leonard, P, Fisher, M, Lamers, M.
登録日2009-06-09
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis, and structure-activity relationships of aminopyridine N-oxides, a novel scaffold for the potent and selective inhibition of p38 mitogen activated protein kinase
J.Med.Chem., 52, 2009
2X6V
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Crystal structure of human TBX5 in the DNA-bound and DNA-free form
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5'-D(*TP*AP*AP*GP*GP*TP*GP*TP*GP*AP*GP)-3', 5'-D(*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP)-3', ...
著者Ptchelkine, D, Stirnimann, C.U, Grimm, C, Mueller, C.W.
登録日2010-02-22
公開日2010-04-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Tbx5-DNA Recognition: The T-Box Domain in its DNA-Bound and -Unbound Form.
J.Mol.Biol., 400, 2010
3LO2
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Crystal structure of human alpha-defensin 1 (Y21A mutant)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 1, SULFATE ION, ...
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 (1.56 Å)
主引用文献Trp-26 imparts functional versatility to human alpha-defensin HNP1.
J.Biol.Chem., 285, 2010
2X3J
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CO-COMPLEX STRUCTURE OF ACHROMOBACTIN SYNTHETASE PROTEIN D (ACSD) WITH ATP AND N-CITRYL-ETHYLENEDIAMINE FROM PECTOBACTERIUM CHRYSANTHEMI
分子名称: (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID, ACSD, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Schmelz, S, Challis, G.L, Naismith, J.H.
登録日2010-01-25
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Acyl Acceptor Specificity in the Achromobactin Biosynthetic Enzyme Acsd.
J.Mol.Biol., 412, 2011
2X50
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Crystal structure of Trypanothione reductase from Leishmania infantum in complex with NADPH and silver
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SILVER ION, ...
著者Baiocco, P, Ilari, A, Colotti, G.
登録日2010-02-03
公開日2011-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Inhibitory Effect of Silver Nanoparticles on Trypanothione Reductase Activity and Leishmania Infantum Proliferation
Acs Med.Chem.Lett., 2, 2011
2X0F
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Structure of WsaF in complex with dTDP-beta-L-Rha
分子名称: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, GLYCEROL, WSAF
著者Steiner, K, Hagelueken, G, Naismith, J.H.
登録日2009-12-08
公開日2010-02-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Basis of Substrate Binding in Wsaf, a Rhamnosyltransferase from Geobacillus Stearothermophilus.
J.Mol.Biol., 397, 2010
2X2K
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Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor
分子名称: (3Z)-5-amino-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
著者Knowles, P.P, Murray-Rust, J, Kjaer, S, McDonald, N.Q.
登録日2010-01-13
公開日2010-02-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors.
Bioorg. Med. Chem., 18, 2010

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