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4NLF
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BU of 4nlf by Molmil
2'-trifluoromethylthio-2'-deoxycytidine-modified SRL
分子名称: 23S ribosomal RNA Sarcin Ricin Loop, SULFATE ION
著者Ennifar, E, Micura, R, Kosutic, M.
登録日2013-11-14
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Surprising base pairing and structural properties of 2'-trifluoromethylthio-modified ribonucleic acids.
J.Am.Chem.Soc., 136, 2014
4NMG
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BU of 4nmg by Molmil
2'-Trifluoromethylthio-2'-deoxyuridine-modified SRL
分子名称: 23S ribosomal RNA Sarcin Ricin Loop
著者Ennifar, E, Micura, R, Kosutic, M.
登録日2013-11-15
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Surprising base pairing and structural properties of 2'-trifluoromethylthio-modified ribonucleic acids.
J.Am.Chem.Soc., 136, 2014
4NXH
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BU of 4nxh by Molmil
2'-Trifluoromethylthiouridine-modified E. coli 23S rRNA Sarcin Ricin Loop
分子名称: 23S ribosomal RNA Sarcin Ricin Loop, GLYCEROL, SULFATE ION
著者Ennifar, E, Micura, R, Kosutic, M.
登録日2013-12-09
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.158 Å)
主引用文献Surprising base pairing and structural properties of 2'-trifluoromethylthio-modified ribonucleic acids.
J.Am.Chem.Soc., 136, 2014
6GZM
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BU of 6gzm by Molmil
Crystal Structure of Human CKIdelta with A86
分子名称: CITRIC ACID, Casein kinase I isoform delta, GLYCEROL, ...
著者Ben-neriah, Y, Venkatachalam, A, Minzel, W, Fink, A, Snir-Alkalay, I, Vacca, J.
登録日2018-07-04
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Small Molecules Co-targeting CKI alpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models.
Cell, 175, 2018
6GZD
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Crystal structure of Human CSNK1A1 with A86
分子名称: 1,2-ETHANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, Casein kinase I isoform alpha, ...
著者Ben-Neriah, Y, Venkatachalam, A, Minzel, W, Fink, A, Snir-Alkalay, I, Vacca, J.
登録日2018-07-03
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Small Molecules Co-targeting CKI alpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models.
Cell, 175, 2018
6GZH
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BU of 6gzh by Molmil
Crystal Structure of Human CDK9/cyclinT1 with A86
分子名称: Cyclin-T1, Cyclin-dependent kinase 9, GLYCEROL, ...
著者Ben-neriah, Y, Venkatachalam, A, Minzel, W, Fink, A, Snir-Alkalay, I, Vacca, J.
登録日2018-07-04
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Small Molecules Co-targeting CKI alpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models.
Cell, 175, 2018
3QUX
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BU of 3qux by Molmil
Structure of the mouse CD1d-alpha-C-GalCer-iNKT TCR complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
著者Li, Y, Girardi, E, Yu, E.D, Zajonc, D.M.
登録日2011-02-24
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Galactose-modified iNKT cell agonists stabilized by an induced fit of CD1d prevent tumour metastasis.
Embo J., 30, 2011
3QUZ
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BU of 3quz by Molmil
Structure of the mouse CD1d-NU-alpha-GalCer-iNKT TCR complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
著者Li, Y, Girardi, E, Yu, E.D, Zajonc, D.M.
登録日2011-02-24
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Galactose-modified iNKT cell agonists stabilized by an induced fit of CD1d prevent tumour metastasis.
Embo J., 30, 2011
3QUY
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BU of 3quy by Molmil
Structure of the mouse CD1d-BnNH-GSL-1'-iNKT TCR complex
分子名称: (2S,3R,4S,5R,6S)-6-[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-N-(phenylmethyl)oxane-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, Y, Girardi, E, Yu, E.D, Zajonc, D.M.
登録日2011-02-24
公開日2011-06-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Galactose-modified iNKT cell agonists stabilized by an induced fit of CD1d prevent tumour metastasis.
Embo J., 30, 2011
5CPR
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BU of 5cpr by Molmil
The novel SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity
分子名称: 6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine, Histone-lysine N-methyltransferase SUV420H1, S-ADENOSYLMETHIONINE, ...
著者Jakob, C.G, Upadhyay, A.K, Sun, C.
登録日2015-07-21
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity.
Nat. Chem. Biol., 13, 2017
4G56
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Crystal Structure of full length PRMT5/MEP50 complexes from Xenopus laevis
分子名称: Hsl7 protein, MGC81050 protein, S-ADENOSYL-L-HOMOCYSTEINE
著者Ho, M, Wilczek, C, Bonanno, J, Shechter, D, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-07-17
公開日2012-10-03
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure of the arginine methyltransferase PRMT5-MEP50 reveals a mechanism for substrate specificity
Plos One, 8, 2013
3BZ3
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BU of 3bz3 by Molmil
Crystal Structure Analysis of Focal Adhesion Kinase with a Methanesulfonamide Diaminopyrimidine Inhibitor
分子名称: Focal adhesion kinase 1, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide
著者Vajdos, F, Marr, E.
登録日2008-01-17
公開日2008-04-01
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Antitumor activity and pharmacology of a selective focal adhesion kinase inhibitor, PF-562,271.
Cancer Res., 68, 2008
5MBM
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BU of 5mbm by Molmil
Cathepsin B in complex with DARPin 8h6
分子名称: Cathepsin B, DARPin 8h6
著者Turk, D, Kramer, L, Renko, M, Turk, B.
登録日2016-11-08
公開日2017-12-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Cathepsin B in complex with DARPin 8h6
To Be Published
5MBL
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Cathepsin B in complex with DARPin 81
分子名称: Cathepsin B, DARPin 81, SULFATE ION
著者Turk, D, Kramer, L, Renko, M, Turk, B.
登録日2016-11-08
公開日2017-12-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Cathepsin B in complex with DARPin 81
To Be Published
7ZAO
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BU of 7zao by Molmil
Structure of BPP43_05035 of Brachyspira pilosicoli
分子名称: MAGNESIUM ION, Sialidase (Neuraminidase) family protein-like protein
著者Rajan, A, Gallego, P, Pelaseyed, T.
登録日2022-03-22
公開日2023-10-11
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献BPP43_05035 is a Brachyspira pilosicoli cell surface adhesin that weakens the integrity of the epithelial barrier during infection
Biorxiv, 2024
3MXA
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BU of 3mxa by Molmil
Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus
分子名称: DNA (5'-D(*TP*CP*TP*GP*GP*CP*TP*GP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(P*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ...
著者Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Montoya, G.
登録日2010-05-07
公開日2010-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus.
Nucleic Acids Res., 39, 2011
3MX9
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Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus
分子名称: CALCIUM ION, DNA (5'-D(*TP*CP*TP*GP*GP*CP*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*GP*AP*GP*AP*AP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*CP*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ...
著者Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Montoya, G.
登録日2010-05-07
公開日2010-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus.
Nucleic Acids Res., 39, 2011
3MXB
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BU of 3mxb by Molmil
Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus
分子名称: CALCIUM ION, DNA (5'-D(*TP*CP*TP*GP*GP*CP*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*GP*AP*GP*AP*AP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*CP*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ...
著者Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Montoya, G.
登録日2010-05-07
公開日2010-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus.
Nucleic Acids Res., 39, 2011
3I0S
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BU of 3i0s by Molmil
crystal structure of HIV reverse transcriptase in complex with inhibitor 7
分子名称: Reverse transcriptase/ribonuclease H, S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate, p51 RT
著者Yan, Y, Prasad, S.
登録日2009-06-25
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Substituted tetrahydroquinolines as potent allosteric inhibitors of reverse transcriptase and its key mutants.
Bioorg.Med.Chem.Lett., 19, 2009
6BL0
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BU of 6bl0 by Molmil
Novel Modes of Inhibition of Wild-Type IDH1:Direct Covalent Modification of His315 with Cmpd11
分子名称: (5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Jakob, C.G, Qiu, W.
登録日2017-11-09
公開日2018-07-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
6BL2
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BU of 6bl2 by Molmil
Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd15
分子名称: 3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid, CALCIUM ION, ISOCITRIC ACID, ...
著者Jakob, C.G, Qiu, W.
登録日2017-11-09
公開日2018-07-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
4D5Q
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BU of 4d5q by Molmil
Hypocrea jecorina Cel7A (wild type) soaked with xylopentaose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Stahlberg, J, Hansson, H.
登録日2014-11-07
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
4D5I
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Hypocrea jecorina cellobiohydrolase Cel7A E212Q soaked with xylotriose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H.
登録日2014-11-05
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
4D5O
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BU of 4d5o by Molmil
Hypocrea jecorina cellobiohydrolase Cel7A E212Q soaked with xylopentaose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H.
登録日2014-11-07
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
4D5V
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BU of 4d5v by Molmil
Hypocrea jecorina cellobiohydrolase Cel7A E217Q soaked with xylotetraose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Stahlberg, J, Hansson, H.
登録日2014-11-07
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015

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