2MCJ
| NMR structure of spermine modified DNA duplex | Descriptor: | DNA_(5'-D(*CP*AP*GP*(N4S)P*CP*GP*AP*C)-3'), DNA_(5'-D(*GP*TP*CP*GP*GP*CP*TP*G)-3') | Authors: | Brzezinska, J, Gdaniec, Z, Popenda, L, Markiewicz, W.T. | Deposit date: | 2013-08-20 | Release date: | 2014-01-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Polyaminooligonucleotide: NMR structure of duplex DNA containing a nucleoside with spermine residue, N-[4,9,13-triazatridecan-1-yl]-2'-deoxycytidine. Biochim.Biophys.Acta, 1840, 2014
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2MCI
| NMR structure of DNA duplex | Descriptor: | DNA_(5'-D(*CP*AP*GP*CP*CP*GP*AP*C)-3'), DNA_(5'-D(*GP*TP*CP*GP*GP*CP*TP*G)-3') | Authors: | Brzezinska, J, Gdaniec, Z, Popenda, L, Markiewicz, W.T. | Deposit date: | 2013-08-20 | Release date: | 2014-01-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Polyaminooligonucleotide: NMR structure of duplex DNA containing a nucleoside with spermine residue, N-[4,9,13-triazatridecan-1-yl]-2'-deoxycytidine. Biochim.Biophys.Acta, 1840, 2014
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6I1W
| Structure of the RNA duplex containing pseudouridine residue (5'-Gp(PSU)pC-3' sequence context) | Descriptor: | RNA (5'-R(*AP*CP*UP*GP*AP*CP*UP*GP*A)-3'), RNA (5'-R(*UP*CP*AP*GP*(PSU)P*CP*AP*GP*U)-3') | Authors: | Deb, I, Popenda, L, Sarzynska, J, Gdaniec, Z. | Deposit date: | 2018-10-30 | Release date: | 2019-11-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Computational and NMR studies of RNA duplexes with an internal pseudouridine-adenosine base pair. Sci Rep, 9, 2019
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6I1V
| Structure of the RNA duplex containing pseudouridine residue (5'-Cp(PSU)pG-3' sequence context) | Descriptor: | RNA (5'-R(*AP*CP*UP*CP*AP*GP*UP*GP*A)-3'), RNA (5'-R(*UP*CP*AP*CP*(PSU)P*GP*AP*GP*U)-3') | Authors: | Deb, I, Popenda, L, Sarzynska, J, Gdaniec, Z. | Deposit date: | 2018-10-30 | Release date: | 2019-11-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Computational and NMR studies of RNA duplexes with an internal pseudouridine-adenosine base pair. Sci Rep, 9, 2019
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4J52
| Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor | Descriptor: | 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Hosfield, D.J, Skene, R.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg.Med.Chem.Lett., 23, 2013
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4J53
| Crystal structure of PLK1 in complex with TAK-960 | Descriptor: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Hosfield, D.J, Skene, R.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg.Med.Chem.Lett., 23, 2013
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5ZUU
| Crystal structure of AtCPSF30 YTH domain in complex with 10mer m6A-modified RNA | Descriptor: | 30-kDa cleavage and polyadenylation specificity factor 30, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Wu, B, Nie, H, Li, S, Patel, D.J. | Deposit date: | 2018-05-08 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | CPSF30-L-mediated recognition of mRNA m6A modification controls alternative polyadenylation of nitrate signaling-related gene transcripts in Arabidopsis. Mol Plant, 2021
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6K13
| Crystal Structure Basis for BmLDH Complex | Descriptor: | L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID | Authors: | Long, Y, Shen, Z. | Deposit date: | 2019-05-09 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis. Faseb J., 33, 2019
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6K12
| Babesia microti lactate dehydrogenase apo form (BmLDH) | Descriptor: | L-lactate dehydrogenase | Authors: | Long, Y. | Deposit date: | 2019-05-09 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis. Faseb J., 33, 2019
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6J9D
| Babesia microti lactate dehydrogenase R99A (BmLDHR99A) | Descriptor: | L-lactate dehydrogenase | Authors: | Yu, L. | Deposit date: | 2019-01-22 | Release date: | 2019-10-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.904 Å) | Cite: | Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis. Faseb J., 33, 2019
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6AGH
| Crystal structure of EFHA1 in Apo-State | Descriptor: | Calcium uptake protein 2, mitochondrial | Authors: | Yangfei, X, Xue, Y, Yuequan, S. | Deposit date: | 2018-08-11 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.742 Å) | Cite: | Dimerization of MICU Proteins Controls Ca2+Influx through the Mitochondrial Ca2+Uniporter. Cell Rep, 26, 2019
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6AGJ
| Crystal Structure of EFHA2 in Apo State | Descriptor: | Calcium uptake protein 3, mitochondrial | Authors: | Yangfei, X, Xue, Y, Yuequan, S. | Deposit date: | 2018-08-11 | Release date: | 2019-01-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.999 Å) | Cite: | Dimerization of MICU Proteins Controls Ca2+Influx through the Mitochondrial Ca2+Uniporter. Cell Rep, 26, 2019
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6W4K
| Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011 | Descriptor: | 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | Authors: | Hosfield, D.J. | Deposit date: | 2020-03-11 | Release date: | 2020-10-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1). J.Med.Chem., 63, 2020
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8TUC
| Unphosphorylated CaMKK2 in complex with CC-8977 | Descriptor: | (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid, 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 2, ... | Authors: | Bernard, S.M, Shanmugasundaram, V, D'Agostino, L. | Deposit date: | 2023-08-16 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2). J.Med.Chem., 66, 2023
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6AGI
| Crystal Structure of EFHA2 in Ca-binding State | Descriptor: | CALCIUM ION, Calcium uptake protein 3, mitochondrial, ... | Authors: | Yangfei, X, Xue, Y, Yuequan, S. | Deposit date: | 2018-08-11 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Dimerization of MICU Proteins Controls Ca2+Influx through the Mitochondrial Ca2+Uniporter. Cell Rep, 26, 2019
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5TR6
| Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK) | Descriptor: | 1,2-ETHANEDIOL, 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one, Tyrosine-protein kinase SYK | Authors: | Yano, J, Jennings, A, Lam, B, Hoffman, I.D. | Deposit date: | 2016-10-25 | Release date: | 2016-11-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK). Bioorg. Med. Chem. Lett., 26, 2016
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5TT7
| Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK) | Descriptor: | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one, Tyrosine-protein kinase SYK | Authors: | Yano, J, Jennings, A, Lam, B, Hoffman, I.D. | Deposit date: | 2016-11-01 | Release date: | 2016-11-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK). Bioorg. Med. Chem. Lett., 26, 2016
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3M3Z
| Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor | Descriptor: | 5'-O-(2-amino-2-oxoethyl)-8-(methylamino)adenosine, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein | Authors: | Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S. | Deposit date: | 2010-03-10 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity. J.Med.Chem., 54, 2011
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3FZM
| Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors | Descriptor: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri le, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein | Authors: | Dokurno, P, Williamson, D.S, Murray, J.B, Surgenor, A.E. | Deposit date: | 2009-01-26 | Release date: | 2009-03-17 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design J.Med.Chem., 52, 2009
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3FZH
| Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors | Descriptor: | (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein | Authors: | Dokurno, P, Williamson, D.S, Murray, J.B, Surgenor, A.E. | Deposit date: | 2009-01-26 | Release date: | 2009-03-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design J.Med.Chem., 52, 2009
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3FZK
| Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors | Descriptor: | (2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG family molecular chaperone regulator 1, ... | Authors: | Dokurno, P, Williamson, D.S, Murray, J.B, Surgenor, A.E. | Deposit date: | 2009-01-26 | Release date: | 2009-03-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design J.Med.Chem., 52, 2009
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3FZF
| Crystal Structure of Hsc70/Bag1 in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein | Authors: | Dokurno, P, Williamson, D.S, Murray, J.B, Surgenor, A.E. | Deposit date: | 2009-01-26 | Release date: | 2009-03-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design J.Med.Chem., 52, 2009
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3FZL
| Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, BAG family molecular chaperone regulator 1, ... | Authors: | Dokurno, P, Williamson, D.S, Murray, J.B, Surgenor, A.E. | Deposit date: | 2009-01-26 | Release date: | 2009-03-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design J.Med.Chem., 52, 2009
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6F3P
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6F3Q
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