PDB: 46006 resultsInfo pagesStatus searchChemie searchBIRD

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8CNA	Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA Descriptor: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase Authors: Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. Deposit date: 2023-02-22 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (2.463 Å) Cite: Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA To Be Published
8CND	Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA Descriptor: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase Authors: Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. Deposit date: 2023-02-22 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (2.972 Å) Cite: Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA To Be Published
8CNB	Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A Descriptor: COENZYME A, ZINC ION, histone acetyltransferase Authors: Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. Deposit date: 2023-02-22 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (1.986 Å) Cite: Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A To Be Published
8PQQ	Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 E88Q Mutant bound to Clofarabine Descriptor: 2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE, MAGNESIUM ION, Nucleoside 2-deoxyribosyltransferase Authors: Tang, P, Harding, C.J, Czekster, M.C. Deposit date: 2023-07-11 Release date: 2024-02-21 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase. Acs Catalysis, 14, 2024
8CO5	The surface-engineered photosensory module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) in the Pr form with parallel dimer formation Descriptor: 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein, MAGNESIUM ION Authors: Schmidt, A, Sauthof, L, Krauss, N, Scheerer, P. Deposit date: 2023-02-27 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (2.42 Å) Cite: Crystal structures of a bacterial phytochrome exhibiting a group-subgroup relationship reveal pronounced flexibility of the photosensory core module in the Pr state To Be Published
8IJ0	Crystal structure of GAS41 YEATS domain in complex with H3K9ac peptide Descriptor: GLYCEROL, Histone H3.1, PENTAETHYLENE GLYCOL, ... Authors: Kikuchi, M, Umehara, T. Deposit date: 2023-02-24 Release date: 2023-11-01 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.52 Å) Cite: GAS41 promotes H2A.Z deposition through recognition of the N terminus of histone H3 by the YEATS domain. Proc.Natl.Acad.Sci.USA, 120, 2023
5F6V	Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol from fragment cocktail screen) Descriptor: 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9 Authors: Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. Deposit date: 2015-12-07 Release date: 2016-04-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.492 Å) Cite: Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
6YXO	Structure of the N-terminal module of the human SWI/SNF-subunit BAF155/SMARCC1 Descriptor: SWI/SNF complex subunit SMARCC1 Authors: Allen, M.D, Bycroft, M, Zinzalla, G. Deposit date: 2020-05-03 Release date: 2021-04-21 Last modified: 2021-11-03 Method: X-RAY DIFFRACTION (2 Å) Cite: SWI/SNF subunit BAF155 N-terminus structure informs the impact of cancer-associated mutations and reveals a potential drug binding site. Commun Biol, 4, 2021
6TL4	Photosensory module (PAS-GAF-PHY) of Glycine max phyB Descriptor: PHYCOCYANOBILIN, Phytochrome Authors: Nagano, S, Guan, K, Shenkutie, S.M, Hughes, J.E. Deposit date: 2019-12-01 Release date: 2020-05-06 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structural insights into photoactivation and signalling in plant phytochromes. Nat.Plants, 6, 2020
4X5S	The crystal structure of an alpha carbonic anhydrase from the extremophilic bacterium Sulfurihydrogenibium azorense. Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase (Carbonate dehydratase), ... Authors: De Simone, G, Alterio, V, Di Fiore, A. Deposit date: 2014-12-05 Release date: 2015-05-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Crystal structure of the most catalytically effective carbonic anhydrase enzyme known, SazCA from the thermophilic bacterium Sulfurihydrogenibium azorense. Bioorg.Med.Chem.Lett., 25, 2015
5F36	Crystal structure of the bromodomain of human ATAD2 in complex with Compound A12 Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, SULFATE ION, ... Authors: Dong, J, Caflisch, A. Deposit date: 2015-12-02 Release date: 2016-12-14 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020
6YXP	Higher resolution structure of the N-terminal module of the human SWI/SNF-subunit BAF155/SMARCC1 Descriptor: SWI/SNF complex subunit SMARCC1 Authors: Allen, M.D, Bycroft, M, Zinzalla, G. Deposit date: 2020-05-03 Release date: 2021-04-21 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.6 Å) Cite: SWI/SNF subunit BAF155 N-terminus structure informs the impact of cancer-associated mutations and reveals a potential drug binding site. Commun Biol, 4, 2021
5IL0	Crystal structural of the METTL3-METTL14 complex for N6-adenosine methylation Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, METTL14, ... Authors: Wang, X, Guan, Z, Zou, T, Yin, P. Deposit date: 2016-03-04 Release date: 2016-05-25 Last modified: 2016-06-29 Method: X-RAY DIFFRACTION (1.882 Å) Cite: Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex Nature, 534, 2016
5ILF	The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and compound 4, a platin(II) compound containing a O, S bidentate ligand Descriptor: ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Merlino, A, Ferraro, G. Deposit date: 2016-03-04 Release date: 2016-12-07 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance. Dalton Trans, 45, 2016
5WFO	Ligand-bound Ras:SOS:Ras complex Descriptor: 6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ... Authors: Sun, Q, Phan, J, Burns, M.C, Fesik, S.W. Deposit date: 2017-07-12 Release date: 2018-05-23 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.99 Å) Cite: High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling. Anal. Biochem., 548, 2018
7LVS	The CBP TAZ1 Domain in Complex with a CITED2-HIF-1-Alpha Fusion Peptide Descriptor: Cbp/p300-interacting transactivator 2,Hypoxia-inducible factor 1-alpha, Histone lysine acetyltransferase CREBBP, ZINC ION Authors: Appling, F.D, Berlow, R.B, Stanfield, R.L, Dyson, H.J, Wright, P.E. Deposit date: 2021-02-26 Release date: 2021-07-28 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.02 Å) Cite: The molecular basis of allostery in a facilitated dissociation process. Structure, 29, 2021
5IRF	Reverse transcriptase domain of group II intron maturase from Roseburia intestinalis in P1 space group Descriptor: POTASSIUM ION, Retron-type reverse transcriptase Authors: Zhao, C, Pyle, A.M. Deposit date: 2016-03-13 Release date: 2016-05-04 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structures of a group II intron maturase reveal a missing link in spliceosome evolution. Nat.Struct.Mol.Biol., 23, 2016
5F6X	Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole from cocktail screen) Descriptor: 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9 Authors: Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. Deposit date: 2015-12-07 Release date: 2016-04-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.56 Å) Cite: Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
5IL1	Crystal structure of SAM-bound METTL3-METTL14 complex Descriptor: 1,2-ETHANEDIOL, METTL14, METTL3, ... Authors: Wang, X, Guan, Z, Zou, T, Yin, P. Deposit date: 2016-03-04 Release date: 2016-05-25 Last modified: 2016-06-29 Method: X-RAY DIFFRACTION (1.71 Å) Cite: Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex Nature, 534, 2016
3TN9	X-ray structure of the HRV2 empty capsid (B-particle) Descriptor: Protein VP1, Protein VP2, Protein VP3 Authors: Garriga, D, Pickl-Herk, A, Luque, D, Wruss, J, Caston, J.R, Blaas, D, Verdaguer, N. Deposit date: 2011-09-01 Release date: 2012-03-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (3 Å) Cite: Insights into minor group rhinovirus uncoating: the X-ray structure of the HRV2 empty capsid. Plos Pathog., 8, 2012
5F6E	Crystal Structure of human Ubc9 (K48A/K49A/E54A) Descriptor: 1,2-ETHANEDIOL, SUMO-conjugating enzyme UBC9 Authors: Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. Deposit date: 2015-12-05 Release date: 2016-04-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.12 Å) Cite: Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
5F6U	Crystal Structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 8 (JSS190B146) Descriptor: SUMO-conjugating enzyme UBC9, ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate Authors: Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. Deposit date: 2015-12-07 Release date: 2016-04-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.552 Å) Cite: Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
6U2G	BRAF-MEK complex with AMP-PCP bound to BRAF Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... Authors: Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J. Deposit date: 2019-08-19 Release date: 2019-08-28 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.886 Å) Cite: Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization. Nat.Struct.Mol.Biol., 27, 2020
3F0T	Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with N-methyl-DHBT Descriptor: N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine, SULFATE ION, Thymidine kinase Authors: Pernot, L, Perozzo, R, Westermaier, Y, Martic, M, Ametamey, S, Scapozza, L. Deposit date: 2008-10-26 Release date: 2009-11-03 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo. Nucleosides Nucleotides Nucleic Acids, 30, 2011
5IL2	Crystal structure of SAH-bound METTL3-METTL14 complex Descriptor: 1,2-ETHANEDIOL, METTL14, METTL3, ... Authors: Wang, X, Guan, Z, Zou, T, Yin, P. Deposit date: 2016-03-04 Release date: 2016-05-25 Last modified: 2016-06-29 Method: X-RAY DIFFRACTION (1.606 Å) Cite: Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex Nature, 534, 2016

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