6IG9
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4WQ6
| The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21) | Descriptor: | 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Li, D, Wang, W. | Deposit date: | 2014-10-21 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility. Bioorg.Med.Chem.Lett., 25, 2015
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5MW6
| Crystal structure of the BCL6 BTB-domain with compound 1 | Descriptor: | 5-chloranyl-~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine, B-cell lymphoma 6 protein | Authors: | Davies, D.R, Kessler, D. | Deposit date: | 2017-01-18 | Release date: | 2017-10-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6. Cell Rep, 20, 2017
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5MWD
| Crystal structure of the BCL6 BTB-domain with compound 2 | Descriptor: | 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein | Authors: | Bader, G, Flotzinger, G, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2017-01-18 | Release date: | 2017-10-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6. Cell Rep, 20, 2017
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4LGJ
| Crystal structure and mechanism of a type III secretion protease | Descriptor: | Uncharacterized protein, ZINC ION | Authors: | Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W. | Deposit date: | 2013-06-28 | Release date: | 2014-01-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure and mechanism of a type III secretion protease, NleC Acta Crystallogr.,Sect.D, 70, 2014
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2X8D
| Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | Descriptor: | 5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | Deposit date: | 2010-03-08 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration. Bioorg.Med.Chem., 20, 2010
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2X8E
| Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | Descriptor: | 5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | Deposit date: | 2010-03-09 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration. Bioorg.Med.Chem., 20, 2010
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2X8I
| Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | Descriptor: | 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Otterbein, L, Vallentine, A, White, A. | Deposit date: | 2010-03-09 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration. Bioorg.Med.Chem., 20, 2010
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4X9J
| EGR-1 with Doubly Methylated DNA | Descriptor: | DNA (5'-D(*AP*GP*(5CM)P*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*(5CM)P*GP*C)-3'), Early growth response protein 1, ... | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | Deposit date: | 2014-12-11 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.412 Å) | Cite: | Structural impact of complete CpG methylation within target DNA on specific complex formation of the inducible transcription factor Egr-1. Febs Lett., 589, 2015
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4XIC
| ANTPHD WITH 15BP di-thioate modified DNA DUPLEX | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C2S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | Deposit date: | 2015-01-06 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate. Biophys.J., 109, 2015
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4USG
| Crystal structure of PC4 W89Y mutant complex with DNA | Descriptor: | 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP *TP*TP*TP*TP*TP*G)-3', ACTIVATED RNA POLYMERASE II TRANSCRIPTIONAL COACTIVATOR P15 | Authors: | Zhao, Y, Liu, J. | Deposit date: | 2014-07-08 | Release date: | 2015-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.973 Å) | Cite: | Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4. Sci.Rep., 5, 2015
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4XKL
| Crystal structure of NDP52 ZF2 in complex with mono-ubiquitin | Descriptor: | ACETATE ION, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ... | Authors: | Xie, X, Li, F, Wang, Y, Lin, Z, Chen, X, Liu, J, Pan, L. | Deposit date: | 2015-01-12 | Release date: | 2015-11-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2 Autophagy, 11, 2015
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2FKC
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2FLC
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2FKH
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4W5S
| Tankyrase in complex with compound | Descriptor: | 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ... | Authors: | Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T. | Deposit date: | 2014-08-18 | Release date: | 2015-05-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology. Acs Med.Chem.Lett., 6, 2015
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1MVX
| structure of the SET domain histone lysine methyltransferase Clr4 | Descriptor: | CRYPTIC LOCI REGULATOR 4, NICKEL (II) ION, SULFATE ION, ... | Authors: | Min, J.R, Zhang, X, Cheng, X.D, Grewal, S.I.S, Xu, R.-M. | Deposit date: | 2002-09-26 | Release date: | 2002-10-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the SET domain histone lysine methyltransferase Clr4. Nat.Struct.Biol., 9, 2002
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1MVH
| structure of the SET domain histone lysine methyltransferase Clr4 | Descriptor: | Cryptic loci regulator 4, NICKEL (II) ION, SULFATE ION, ... | Authors: | Min, J.R, Zhang, X, Cheng, X.D, Grewal, S.I.S, Xu, R.-M. | Deposit date: | 2002-09-25 | Release date: | 2002-10-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the SET domain histone lysine methyltransferase Clr4. Nat.Struct.Biol., 9, 2002
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6P3P
| Crystal structure of Mcl-1 in complex with compound 65 | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate | Authors: | Toms, A.V, Follows, B. | Deposit date: | 2019-05-24 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
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2KW0
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4OC8
| DNA modification-dependent restriction endonuclease AspBHI | Descriptor: | PHOSPHATE ION, restriction endonuclease AspBHI | Authors: | Horton, J.R. | Deposit date: | 2014-01-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.884 Å) | Cite: | Structure and mutagenesis of the DNA modification-dependent restriction endonuclease AspBHI. Sci Rep, 4, 2014
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6FBL
| NMR Solution Structure of MINA-1(254-334) | Descriptor: | MINA-1 | Authors: | Michel, E, Allain, F. | Deposit date: | 2017-12-19 | Release date: | 2019-01-30 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | MINA-1 and WAGO-4 are part of regulatory network coordinating germ cell death and RNAi in C. elegans. Cell Death Differ., 26, 2019
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2FL3
| Binary Complex of Restriction Endonuclease HinP1I with Cognate DNA | Descriptor: | 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3', R.HinP1I Restriction Endonuclease | Authors: | Horton, J.R. | Deposit date: | 2006-01-05 | Release date: | 2006-02-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | DNA nicking by HinP1I endonuclease: bending, base flipping and minor groove expansion. Nucleic Acids Res., 34, 2006
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6WOK
| Crystal structure of estrogen receptor alpha in complex with receptor degrader 6 | Descriptor: | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Labadie, S. | Deposit date: | 2020-04-24 | Release date: | 2020-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer. Acs Med.Chem.Lett., 11, 2020
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1EH4
| BINARY COMPLEX OF CASEIN KINASE-1 FROM S. POMBE WITH AN ATP COMPETITIVE INHIBITOR, IC261 | Descriptor: | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE, CASEIN KINASE-1, SULFATE ION | Authors: | Mashhoon, N, Demaggio, A.J, Tereshko, V, Bergmeier, S.C, Egli, M, Hoekstra, M.F, Kuret, J. | Deposit date: | 2000-02-18 | Release date: | 2001-09-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of a Conformation-Selective Casein Kinase-1 Inhibitor J.Biol.Chem., 275, 2000
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