6OAC
 
 | | PQR530 [(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine] bound to the PI3Ka catalytic subunit p110alpha | | 分子名称: | 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Burke, J.E, McPhail, J.A. | | 登録日 | 2019-03-15 | | 公開日 | 2019-06-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | (S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine (PQR530), a Potent, Orally Bioavailable, and Brain-Penetrable Dual Inhibitor of Class I PI3K and mTOR Kinase.
J.Med.Chem., 62, 2019
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6OGO
 | | Crystal structure of NDM-9 metallo-beta-lactamase | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Raczynska, J.E, Imiolczyk, B, Jaskolski, M. | | 登録日 | 2019-04-03 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates.
Int.J.Biol.Macromol., 158, 2020
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3C8E
 | | Crystal Structure Analysis of yghU from E. Coli | | 分子名称: | GLUTATHIONE, yghU, glutathione S-transferase homologue | | 著者 | Harp, J, Ladner, J.E, Schaab, M.R, Stourman, N.V, Armstrong, R.N. | | 登録日 | 2008-02-11 | | 公開日 | 2009-02-24 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure and Function of YghU, a Nu-Class Glutathione Transferase Related to YfcG from Escherichia coli.
Biochemistry, 50, 2011
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3CG5
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3BZN
 | | Crystal Structure of Open form of Menaquinone-Specific Isochorismate Synthase, MenF | | 分子名称: | MAGNESIUM ION, Menaquinone-specific isochorismate synthase, SULFATE ION | | 著者 | Parsons, J.F, Shi, K.M, Ladner, J.E. | | 登録日 | 2008-01-18 | | 公開日 | 2008-05-20 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of isochorismate synthase in complex with magnesium.
Acta Crystallogr.,Sect.D, 64, 2008
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3C8P
 | | X-ray structure of Viscotoxin A1 from Viscum album L. | | 分子名称: | Viscotoxin A1 | | 著者 | Pal, A, Debreczeni, J.E, Sevvana, M, Gruene, T, Kahle, B, Zeeck, A, Sheldrick, G.M. | | 登録日 | 2008-02-13 | | 公開日 | 2008-06-17 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Structures of viscotoxins A1 and B2 from European mistletoe solved using native data alone
Acta Crystallogr.,Sect.D, 64, 2008
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3D7J
 | | SCO6650, a 6-pyruvoyltetrahydropterin synthase homolog from Streptomyces coelicolor | | 分子名称: | CHLORIDE ION, SODIUM ION, Uncharacterized protein SCO6650 | | 著者 | Spoonamore, J.E, Roberts, S.A, Heroux, A, Bandarian, V. | | 登録日 | 2008-05-21 | | 公開日 | 2008-10-21 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structure of a 6-pyruvoyltetrahydropterin synthase homolog from Streptomyces coelicolor.
Acta Crystallogr.,Sect.F, 64, 2008
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3CP6
 | | Crystal structure of human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor | | 分子名称: | (4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid), Farnesyl pyrophosphate synthetase, MAGNESIUM ION | | 著者 | Pilka, E.S, Dunford, J.E, Guo, K, Pike, A.C.W, von Delft, F, Barnett, B.L, Ebetino, F.H, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Russell, R.G.G, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2008-03-31 | | 公開日 | 2008-04-15 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor.
To be Published
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3DGG
 | | Crystal structure of FabOX108 | | 分子名称: | FabOX108 Heavy Chain Fragment, FabOX108 Light Chain Fragment, MAGNESIUM ION | | 著者 | Ren, J, Nettleship, J.E, Owens, R.J, Oxford Protein Production Facility (OPPF) | | 登録日 | 2008-06-13 | | 公開日 | 2008-08-12 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A pipeline for the production of antibody fragments for structural studies using transient expression in HEK 293T cells.
Protein Expr.Purif., 62, 2008
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3DIF
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3CSY
 | | Crystal structure of the trimeric prefusion Ebola virus glycoprotein in complex with a neutralizing antibody from a human survivor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein GP1, ... | | 著者 | Lee, J.E, Fusco, M.L, Hessell, A.J, Oswald, W.B, Burton, D.R, Saphire, E.O. | | 登録日 | 2008-04-10 | | 公開日 | 2008-07-08 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structure of the Ebola virus glycoprotein bound to an antibody from a human survivor.
Nature, 454, 2008
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3CLC
 | | Crystal Structure of the Restriction-Modification Controller Protein C.Esp1396I Tetramer in Complex with its Natural 35 Base-Pair Operator | | 分子名称: | 35-MER, MAGNESIUM ION, Regulatory protein | | 著者 | McGeehan, J.E, Streeter, S.D, Thresh, S.J, Ball, N, Ravelli, R.B, Kneale, G.G. | | 登録日 | 2008-03-18 | | 公開日 | 2008-07-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural analysis of the genetic switch that regulates the expression of restriction-modification genes.
Nucleic Acids Res., 36, 2008
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3EZR
 | | CDK-2 with indazole inhibitor 17 bound at its active site | | 分子名称: | 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2 | | 著者 | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | | 登録日 | 2008-10-23 | | 公開日 | 2009-02-03 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
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3CR1
 | | crystal structure of a minimal, mutant, all-RNA hairpin ribozyme (A38C, A-1OMA) grown from MgCl2 | | 分子名称: | MAGNESIUM ION, RNA (5'-R(*UP*CP*CP*CP*(A2M)P*GP*UP*CP*CP*AP*CP*CP*G)-3'), RNA (5'-R(*UP*CP*GP*UP*GP*GP*UP*CP*CP*AP*UP*UP*AP*CP*CP*UP*GP*CP*C)-3'), ... | | 著者 | Salter, J.D, Wedekind, J.E. | | 登録日 | 2008-04-04 | | 公開日 | 2008-08-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural effects of nucleobase variations at key active site residue Ade38 in the hairpin ribozyme.
Rna, 14, 2008
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3DOP
 | | Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 5beta-dihydrotestosterone, Resolution 2.00A | | 分子名称: | 3-oxo-5-beta-steroid 4-dehydrogenase, 5-beta-DIHYDROTESTOSTERONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Di Costanzo, L, Drury, J.E, Penning, T.M, Christianson, D.W. | | 登録日 | 2008-07-05 | | 公開日 | 2008-10-28 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure and catalytic mechanism of human steroid 5beta-reductase (AKR1D1)
Mol.Cell.Endocrinol., 301, 2009
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3CS1
 | | Flagellar Calcium-binding Protein (FCaBP) from T. cruzi | | 分子名称: | Flagellar calcium-binding protein | | 著者 | Ames, J.B, Ladner, J.E, Wingard, J.N, Robinson, H, Fisher, A. | | 登録日 | 2008-04-08 | | 公開日 | 2008-06-24 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Insights into Membrane Targeting by the Flagellar Calcium-binding Protein (FCaBP), a Myristoylated and Palmitoylated Calcium Sensor in Trypanosoma cruzi.
J.Biol.Chem., 283, 2008
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3CQS
 | | A 3'-OH, 2',5'-phosphodiester substitution in the hairpin ribozyme active site reveals similarities with protein ribonucleases | | 分子名称: | 13-mer substrate strand with 3'-OH, 2',5'-phosphodiester covalently linking 5th and 6th nucleotides, 19-mer ribozyme strand, ... | | 著者 | Torelli, A.T, Spitale, R.C, Krucinska, J, Wedekind, J.E. | | 登録日 | 2008-04-03 | | 公開日 | 2008-05-20 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Shared traits on the reaction coordinates of ribonuclease and an RNA enzyme
Biochem.Biophys.Res.Commun., 371, 2008
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3F5X
 | | CDK-2-Cyclin complex with indazole inhibitor 9 bound at its active site | | 分子名称: | 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2, Cyclin-A2, ... | | 著者 | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | | 登録日 | 2008-11-04 | | 公開日 | 2009-02-03 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor.
Bioorg.Med.Chem.Lett., 19, 2009
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3FI2
 | | Crystal structure of JNK3 with amino-pyrazole inhibitor, SR-3451 | | 分子名称: | 1,2-ETHANEDIOL, 3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10 | | 著者 | Habel, J.E. | | 登録日 | 2008-12-10 | | 公開日 | 2009-03-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38.
J.Biol.Chem., 284, 2009
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3FI3
 | | Crystal structure of JNK3 with indazole inhibitor, SR-3737 | | 分子名称: | 1,2-ETHANEDIOL, 3-{5-[(2-fluorophenyl)amino]-1H-indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10 | | 著者 | Habel, J.E, Duckett, D, LoGrasso, P. | | 登録日 | 2008-12-10 | | 公開日 | 2009-03-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38.
J.Biol.Chem., 284, 2009
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3EZV
 | | CDK-2 with indazole inhibitor 9 bound at its active site | | 分子名称: | 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2 | | 著者 | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | | 登録日 | 2008-10-23 | | 公開日 | 2009-02-03 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
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3DS9
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3DDX
 | | HK97 bacteriophage capsid Expansion Intermediate-II model | | 分子名称: | Major capsid protein | | 著者 | Lee, K.K, Gan, L, Conway, J.F, Hendrix, R.W, Steven, A.C, Johnson, J.E. | | 登録日 | 2008-06-06 | | 公開日 | 2008-11-04 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY | | 主引用文献 | Virus capsid expansion driven by the capture of mobile surface loops.
Structure, 16, 2008
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3DWZ
 | | Meropenem Covalent Adduct with TB Beta-lactamase | | 分子名称: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | Tremblay, L.W, Hugonnet, J.E, Blanchard, J.S. | | 登録日 | 2008-07-23 | | 公開日 | 2009-03-10 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Meropenem-clavulanate is effective against extensively drug-resistant Mycobacterium tuberculosis
Science, 323, 2009
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3F52
 | | Crystal structure of the clp gene regulator ClgR from C. glutamicum | | 分子名称: | GLYCEROL, clp gene regulator (ClgR) | | 著者 | Russo, S, Schweitzer, J.E, Polen, T, Bott, M, Pohl, E. | | 登録日 | 2008-11-03 | | 公開日 | 2008-11-18 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structure of the caseinolytic protease gene regulator, a transcriptional activator in actinomycetes
J.Biol.Chem., 284, 2009
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