7C4O
| Solution structure of the Orange domain from human protein HES1 | Descriptor: | Transcription factor HES-1 | Authors: | Fan, J.S, Nayak, A, Swaminathan, K. | Deposit date: | 2020-05-18 | Release date: | 2021-05-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Induction of Transcriptional Inhibitor Hairy and Enhancer of Split Homolog-1 and the Related Repression of Tumor-Suppressor Thioredoxin-Interacting Protein Are Important Components of Cell-Transformation Program Imposed by Oncogenic Kinase Nucleophosmin-Anaplastic Lymphoma Kinase. Am J Pathol, 2022
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8S9H
| Crystal structure of monkey TLR7 ectodomain with compound 14 | Descriptor: | (3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Critton, D.A. | Deposit date: | 2023-03-28 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.437 Å) | Cite: | Identification and Optimization of Small Molecule Pyrazolopyrimidine TLR7 Agonists for Applications in Immuno-oncology. Acs Med.Chem.Lett., 15, 2024
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6DJC
| Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS645 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} | Authors: | Ren, C, Zhou, M.M. | Deposit date: | 2018-05-25 | Release date: | 2018-07-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5I9D
| Crystal structure of designed pentatricopeptide repeat protein dPPR-U8A2 in complex with its target RNA U8A2 | Descriptor: | RNA (5'-R(*GP*GP*GP*G*UP*UP*UP*UP*AP*AP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8A2 | Authors: | Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P. | Deposit date: | 2016-02-20 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.596 Å) | Cite: | Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins. Nat Commun, 7, 2016
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4NNG
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4NNH
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5HE5
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4N0O
| Complex structure of Arterivirus nonstructural protein 10 (helicase) with DNA | Descriptor: | CALCIUM ION, DNA, Replicase polyprotein 1ab, ... | Authors: | Deng, Z, Chen, Z. | Deposit date: | 2013-10-02 | Release date: | 2014-01-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for the regulatory function of a complex zinc-binding domain in a replicative arterivirus helicase resembling a nonsense-mediated mRNA decay helicase. Nucleic Acids Res., 42, 2014
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4RZG
| Crystal Structure Analysis of the DNPA-bounded NUR77 Ligand binding Domain | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate | Authors: | Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T. | Deposit date: | 2014-12-21 | Release date: | 2015-03-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation. Nat.Chem.Biol., 11, 2015
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4WD9
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2EA2
| h-MetAP2 complexed with A773812 | Descriptor: | 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | Authors: | Park, C.H. | Deposit date: | 2007-01-30 | Release date: | 2008-02-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Lead optimization of methionine aminopeptidase-2 (MetAP2) inhibitors containing sulfonamides of 5,6-disubstituted anthranilic acids Bioorg.Med.Chem.Lett., 17, 2007
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2EA4
| h-MetAP2 complexed with A797859 | Descriptor: | 2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | Authors: | Park, C.H. | Deposit date: | 2007-01-30 | Release date: | 2008-02-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Lead optimization of methionine aminopeptidase-2 (MetAP2) inhibitors containing sulfonamides of 5,6-disubstituted anthranilic acids Bioorg.Med.Chem.Lett., 17, 2007
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6KZ5
| Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain | Descriptor: | Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | Authors: | Hong, W, Chen, H, Wu, Q, Lin, T. | Deposit date: | 2019-09-23 | Release date: | 2020-10-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (4.45 Å) | Cite: | Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression. Proc.Natl.Acad.Sci.USA, 117, 2020
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4ZHW
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4ZHY
| Crystal structure of a bacterial signalling complex | Descriptor: | FORMIC ACID, SULFATE ION, YfiB, ... | Authors: | Li, S, Li, T, Wang, Y, Bartlam, M. | Deposit date: | 2015-04-27 | Release date: | 2016-04-27 | Method: | X-RAY DIFFRACTION (1.969 Å) | Cite: | Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1 Sci Rep, 5, 2015
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4ZHV
| Crystal structure of a bacterial signalling protein | Descriptor: | SULFATE ION, YfiB | Authors: | Li, S, Li, T, Wang, Y, Bartlam, M. | Deposit date: | 2015-04-27 | Release date: | 2016-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.585 Å) | Cite: | Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1 Sci Rep, 5, 2015
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6DUV
| Crystal structure of the second bromodomain of human BRD4 in complex with MS417 inhibitor | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | Authors: | Babault, N, Zhou, M.M. | Deposit date: | 2018-06-22 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of Bound Water Molecules in Differential Recognition of Di-Acetylated Histone Peptides by the BRD4 Bromodomains To be published
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4RQE
| human Seryl-tRNA synthetase dimer complexed with two molecules of tRNAsec | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SERINE, Serine--tRNA ligase, ... | Authors: | Xie, W, Wang, C, Guo, Y, Tian, Q, Jia, Q. | Deposit date: | 2014-11-03 | Release date: | 2015-11-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | SerRS-tRNASec complex structures reveal mechanism of the first step in selenocysteine biosynthesis. Nucleic Acids Res., 43, 2015
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4EVU
| Crystal structure of C-terminal domain of putative periplasmic protein ydgH from S. enterica | Descriptor: | CHLORIDE ION, Putative periplasmic protein ydgH, SULFATE ION | Authors: | Michalska, K, Cui, H, Xu, X, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Savchenko, A, Adkins, J.N, Joachimiak, A, Program for the Characterization of Secreted Effector Proteins (PCSEP), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-04-26 | Release date: | 2012-05-30 | Last modified: | 2014-07-30 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO. Plos One, 9, 2014
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4E43
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2QMG
| Structure of BACE Bound to SCH745966 | Descriptor: | Beta-secretase 1, D(-)-TARTARIC ACID, N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE | Authors: | Strickland, C.O, Iserloh, U. | Deposit date: | 2007-07-16 | Release date: | 2008-03-18 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor. Bioorg.Med.Chem.Lett., 18, 2008
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4NRM
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4O3P
| Crystal structure of human polymerase eta inserting dctp opposite an 8-oxog containing dna template | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(8OG)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ... | Authors: | Patra, A, Egli, M. | Deposit date: | 2013-12-18 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Kinetics, Structure, and Mechanism of 8-Oxo-7,8-dihydro-2'-deoxyguanosine Bypass by Human DNA Polymerase eta J.Biol.Chem., 289, 2014
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4NRO
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4NRQ
| Crystal structure of human ALKBH5 in complex with pyridine-2,4-dicarboxylate | Descriptor: | MANGANESE (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, RNA demethylase ALKBH5 | Authors: | Feng, C, Chen, Z, Liu, Y. | Deposit date: | 2013-11-27 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition J.Biol.Chem., 289, 2014
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