Mine: 新規公開されたエントリー

5RL0
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PANDDA ANALYSIS GROUP DEPOSITION OF COMPUTATIONAL DESIGNS OF SARS-COV-2 MAIN PROTEASE COVALENT INHIBITORS -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH LON-WEI-ADC59DF6-2 (MPRO-X3110)
分子名称:3C-like proteinase, ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate, DIMETHYL SULFOXIDE
著者Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Zaidman, D., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Gorie-Stone, T.J., Skyner, R., London, N., Walsh, M.A., von Delft, F.
登録日2020-08-05
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
To Be Published
5RL1
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PANDDA ANALYSIS GROUP DEPOSITION OF COMPUTATIONAL DESIGNS OF SARS-COV-2 MAIN PROTEASE COVALENT INHIBITORS -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH LON-WEI-ADC59DF6-27 (MPRO-X3113)
分子名称:3C-like proteinase, N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide, DIMETHYL SULFOXIDE
著者Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Zaidman, D., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Gorie-Stone, T.J., Skyner, R., London, N., Walsh, M.A., von Delft, F.
登録日2020-08-05
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
To Be Published
5RL2
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PANDDA ANALYSIS GROUP DEPOSITION OF COMPUTATIONAL DESIGNS OF SARS-COV-2 MAIN PROTEASE COVALENT INHIBITORS -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH LON-WEI-ADC59DF6-26 (MPRO-X3115)
分子名称:3C-like proteinase, N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide, DIMETHYL SULFOXIDE
著者Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Zaidman, D., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Gorie-Stone, T.J., Skyner, R., London, N., Walsh, M.A., von Delft, F.
登録日2020-08-05
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
To Be Published
5RL3
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PANDDA ANALYSIS GROUP DEPOSITION OF COMPUTATIONAL DESIGNS OF SARS-COV-2 MAIN PROTEASE COVALENT INHIBITORS -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH LON-WEI-ADC59DF6-39 (MPRO-X3117)
分子名称:3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
著者Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Zaidman, D., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Gorie-Stone, T.J., Skyner, R., London, N., Walsh, M.A., von Delft, F.
登録日2020-08-05
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
To Be Published
5RL4
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PANDDA ANALYSIS GROUP DEPOSITION OF COMPUTATIONAL DESIGNS OF SARS-COV-2 MAIN PROTEASE COVALENT INHIBITORS -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH LON-WEI-ADC59DF6-3 (MPRO-X3124)
分子名称:3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
著者Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Zaidman, D., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Gorie-Stone, T.J., Skyner, R., London, N., Walsh, M.A., von Delft, F.
登録日2020-08-05
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
To Be Published
5RL5
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PANDDA ANALYSIS GROUP DEPOSITION OF COMPUTATIONAL DESIGNS OF SARS-COV-2 MAIN PROTEASE COVALENT INHIBITORS -- CRYSTAL STRUCTURE OF SARS-COV-2 MAIN PROTEASE IN COMPLEX WITH LON-WEI-ADC59DF6-30 (MPRO-X3359)
分子名称:3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-tert-butylphenyl)-N-[(1R)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
著者Fearon, D., Owen, C.D., Douangamath, A., Lukacik, P., Powell, A.J., Strain-Damerell, C.M., Zaidman, D., Krojer, T., Gehrtz, P., Wild, C., Aimon, A., Brandao-Neto, J., Carbery, A., Dunnett, L., Gorie-Stone, T.J., Skyner, R., London, N., Walsh, M.A., von Delft, F.
登録日2020-08-05
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
To Be Published
6L0A
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CRYSTAL STRUCTURE OF DIHYDROOROTASE IN COMPLEX WITH MALATE AT PH7 FROM SACCHAROMYCES CEREVISIAE
分子名称:Dihydroorotase, ZINC ION, (2S)-2-hydroxybutanedioic acid
著者Guan, H.H., Huang, Y.H., Huang, C.Y., Chen, C.J.
登録日2019-09-26
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structure of dihydroorotase from Saccharomyces cerevisiae
To Be Published
6L0B
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CRYSTAL STRUCTURE OF DIHYDROOROTASE IN COMPLEX WITH FLUOROURACIL FROM SACCHAROMYCES CEREVISIAE
分子名称:Dihydroorotase, ZINC ION, 5-FLUOROURACIL
著者Guan, H.H., Huang, Y.H., Huang, C.Y., Chen, C.J.
登録日2019-09-26
公開日2020-12-02
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of dihydroorotase from Saccharomyces cerevisiae
to be published
6L0F
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CRYSTAL STRUCTURE OF DIHYDROOROTASE IN COMPLEX WITH 5-AMINOURACIL FROM SACCHAROMYCES CEREVISIAE
分子名称:Dihydroorotase, 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, ZINC ION
著者Guan, H.H., Huang, Y.H., Huang, C.Y., Chen, C.J.
登録日2019-09-26
公開日2020-12-02
実験手法X-RAY DIFFRACTION (3.26 Å)
主引用文献Crystal structure of dihydroorotase in complex with 5-Aminouracil from Saccharomyces cerevisiae
To Be Published
6L0G
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CRYSTAL STRUCTURE OF DIHYDROOROTASE IN COMPLEX WITH MALATE AT PH6 FROM SACCHAROMYCES CEREVISIAE
分子名称:Dihydroorotase, ZINC ION, (2S)-2-hydroxybutanedioic acid
著者Guan, H.H., Huang, Y.H., Huang, C.Y., Chen, C.J.
登録日2019-09-26
公開日2020-12-02
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Crystal structure of dihydroorotase from Saccharomyces cerevisiae
To Be Published
6L0H
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CRYSTAL STRUCTURE OF DIHYDROOROTASE IN COMPLEX WITH MALATE AT PH7 FROM SACCHAROMYCES CEREVISIAE
分子名称:Dihydroorotase, ZINC ION, (2S)-2-hydroxybutanedioic acid
著者Guan, H.H., Huang, Y.H., Huang, C.Y., Chen, C.J.
登録日2019-09-26
公開日2020-12-02
実験手法X-RAY DIFFRACTION (2.054 Å)
主引用文献Crystal structure of dihydroorotase from Saccharomyces cerevisiae
To Be Published
6L0I
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CRYSTAL STRUCTURE OF DIHYDROOROTASE IN COMPLEX WITH MALATE AT PH6.5 FROM SACCHAROMYCES CEREVISIAE
分子名称:Dihydroorotase, ZINC ION, (2S)-2-hydroxybutanedioic acid
著者Guan, H.H., Huang, Y.H., Huang, C.Y., Chen, C.J.
登録日2019-09-26
公開日2020-12-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of dihydroorotase from Saccharomyces cerevisiae
To Be Published
6L0J
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CRYSTAL STRUCTURE OF DIHYDROOROTASE IN COMPLEX WITH MALATE AT PH7.5 FROM SACCHAROMYCES CEREVISIAE
分子名称:Dihydroorotase, ZINC ION, (2S)-2-hydroxybutanedioic acid
著者Guan, H.H., Huang, Y.H., Huang, C.Y., Chen, C.J.
登録日2019-09-26
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.933 Å)
主引用文献Crystal structure of dihydroorotase from Saccharomyces cerevisiae
To Be Published
6L0K
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CRYSTAL STRUCTURE OF DIHYDROOROTASE IN COMPLEX WITH MALATE AT PH9 FROM SACCHAROMYCES CEREVISIAE
分子名称:Dihydroorotase, ZINC ION, (2S)-2-hydroxybutanedioic acid
著者Guan, H.H., Huang, Y.H., Huang, C.Y., Chen, C.J.
登録日2019-09-26
公開日2020-12-02
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of dihydroorotase from Saccharomyces cerevisiae
To Be Published
6LCN
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CRYSTAL STRUCTURE OF SERINE ACETYLTRANSFERASE FROM PLANCTOMYCES LIMNOPHILUS AT 2.15A
分子名称:Serine O-acetyltransferase, GLYCEROL, CHLORIDE ION, ...
著者Kumar, N., Singh, R.P., Singh, A.K., Kumaran, S.
登録日2019-11-19
公開日2020-12-02
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Understanding Mechanics of competitive-allostery Using Engineered Cysteine Synthase Assembly
To Be Published
6LDR
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STRUCTURE OF A K245A MUTANT OF A GROUP II PLP DEPENDENT DECARBOXYLASE FROM METHANOCALDOCOCCUS JANNASCHII, IN COMPLEX WITH PLP
分子名称:L-tyrosine/L-aspartate decarboxylase, PYRIDOXAL-5'-PHOSPHATE, AMMONIUM ION, ...
著者Manoj, N., Gayathri, S.C.
登録日2019-11-23
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural insights into the mechanism of decarboxylation in a Group II decarboxylase
To Be Published
6LDS
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STRUCTURE OF A K245A MUTANT OF L-TYROSINE DECARBOXYLASE FROM METHANOCALDOCOCCUS JANNASCHII COMPLEXED WITH L-TYR: EXTERNAL ALDIMINE FORM
分子名称:L-tyrosine/L-aspartate decarboxylase, SULFATE ION, GLYCEROL, ...
著者Manoj, N., Gayathri, S.C.
登録日2019-11-23
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into the mechanism of decarboxylation in a Group II decarboxylase
To Be Published
6LDT
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K245A MUTANT OF L-TYROSINE DECARBOXYLASE FROM METHANOCALDOCOCCUS JANNASCHII COMPLEXED WITH A POST-DECARBOXYLATION QUINONOID-LIKE INTERMEDIATE FORMED WITH L-TYROSINE
分子名称:L-tyrosine/L-aspartate decarboxylase, GLYCEROL, SULFATE ION, ...
著者Manoj, N., Chellam Gayathri, S.
登録日2019-11-23
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural insights into the mechanism of decarboxylation in a Group II decarboxylase
To Be Published
6LE1
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STRUCTURE OF RRM2 DOMAIN OF DND1 PROTEIN
分子名称:Dead end protein homolog 1, GLYCEROL, SULFATE ION
著者Kumari, P., Bhavesh, N.S.
登録日2019-11-23
公開日2020-12-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of RRM2 domain of DND1 protein
To Be Published
6LEU
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QUADRUPLE MUTANT (N51I+C59R+S108N+I164L) PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PFDHFR-TS) COMPLEXED WITH COMPOUND 42 AND NADPH
分子名称:Bifunctional dihydrofolate reductase-thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Vanichtanankul, J., Vitsupakorn, D.
登録日2019-11-27
公開日2020-12-02
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
6LEV
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QUADRUPLE MUTANT (N51I+C59R+S108N+I164L) PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PFDHFR-TS) COMPLEXED WITH COMPOUND 46 AND NADPH
分子名称:Bifunctional dihydrofolate reductase-thymidylate synthase, 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Vanichtanankul, J., Vitsupakorn, D.
登録日2019-11-27
公開日2020-12-02
実験手法X-RAY DIFFRACTION (2.644 Å)
主引用文献Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
6LEW
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RVD HA SPECIFICALLY CONTACTS 5MC THROUGH VAN DER WAALS INTERACTIONS
分子名称:TAL effector, DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), DNA (5'-D(P*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3')
著者Liu, L., Yi, C.
登録日2019-11-27
公開日2020-12-02
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献RVD HA specifically contacts 5mC through van der Waals interactions
To Be Published
6LEZ
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QUADRUPLE MUTANT (N51I+C59R+S108N+I164L) PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PFDHFR-TS) COMPLEXED WITH COMPOUND 46 AND NADPH
分子名称:Bifunctional dihydrofolate reductase-thymidylate synthase, 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Vanichtanankul, J., Vitsupakorn, D.
登録日2019-11-27
公開日2020-12-02
実験手法X-RAY DIFFRACTION (2.644 Å)
主引用文献Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
6LF1
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SEVIL, A GM1B/ASIALO-GM1 BINDING LECTIN
分子名称:SeviL, CHLORIDE ION
著者Kamata, K., Ozeki, Y., Park, S.-Y., Tame, J.R.H.
登録日2019-11-28
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structure of SeviL, a GM1b/asialo-GM1 binding R-type lectin from the mussel Mytilisepta virgata
To Be Published
6LF2
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SEVIL BOUND TO ASIALO-GM1 SACCHARIDE
分子名称:SeviL, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Kamata, K., Ozeki, Y., Park, S.-Y., Tame, J.R.H.
登録日2019-11-28
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structure of SeviL, a GM1b/asialo-GM1 binding R-type lectin from the mussel Mytilisepta virgata
To Be Published
171916
件を2020-12-02に公開中