PDB: 245396 resultsInfo pagesStatus searchChemie searchBIRD

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2W6N	Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series Descriptor: 2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-18 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
6CFK	Crystal structure of the Thermus thermophilus 70S ribosome in complex with D-histidyl-CAM and bound to protein Y (YfiA) at 2.7A resolution Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... Authors: Tereshchenkov, A.G, Dobosz-Bartoszek, M, Osterman, I.A, Marks, J, Sergeeva, V.A, Kasatsky, P, Komarova, E.S, Stavrianidi, A.N, Rodin, I.A, Konevega, A.L, Sergiev, P.V, Sumbatyan, N.V, Mankin, A.S, Bogdanov, A.A, Polikanov, Y.S. Deposit date: 2018-02-15 Release date: 2018-03-07 Last modified: 2025-03-19 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Binding and Action of Amino Acid Analogs of Chloramphenicol upon the Bacterial Ribosome. J. Mol. Biol., 430, 2018
1EMY	CRYSTAL STRUCTURE OF ASIAN ELEPHANT (ELEPHAS MAXIMUS) CYANO-MET MYOGLOBIN AT 1.78 ANGSTROMS RESOLUTION. PHE 29 (B10) ACCOUNTS FOR ITS UNUSUAL LIGAND BINDING PROPERTIES Descriptor: CYANIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE Authors: Bisig, D.A, Piontek, K. Deposit date: 1995-02-22 Release date: 1995-04-20 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Crystal structure of Asian elephant (Elephas maximus) cyano-metmyoglobin at 1.78-A resolution. Phe29(B10) accounts for its unusual ligand binding properties. J.Biol.Chem., 270, 1995
5W1Y	SETD8 in complex with a covalent inhibitor Descriptor: 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION Authors: Tempel, W, Yu, W, Li, Y, Blum, G, Luo, M, Pittella-Silva, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) Deposit date: 2017-06-05 Release date: 2017-06-21 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: SETD8 in complex with a covalent inhibitor to be published
9MMR	Cryo-EM structure of CRAF/MEK1/14-3-3 complex (open monomer conformation, CRAF Y340D/Y341D mutant) Descriptor: 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ... Authors: Jang, D.M, Jeon, H, Eck, M.J. Deposit date: 2024-12-20 Release date: 2025-09-10 Last modified: 2025-10-08 Method: ELECTRON MICROSCOPY (3.9 Å) Cite: Cryo-EM structures of CRAF/MEK1/14-3-3 complexes in autoinhibited and open-monomer states reveal features of RAF regulation. Nat Commun, 16, 2025
1A29	CALMODULIN COMPLEXED WITH TRIFLUOPERAZINE (1:2 COMPLEX) Descriptor: 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE, CALCIUM ION, CALMODULIN Authors: Bocskei, Zs, Harmat, V, Vertessy, B.G, Ovadi, J, Naray-Szabo, G. Deposit date: 1998-01-19 Release date: 1998-09-16 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.74 Å) Cite: Simultaneous binding of drugs with different chemical structures to Ca2+-calmodulin: crystallographic and spectroscopic studies. Biochemistry, 37, 1998
3Q8G	Resurrection of a functional phosphatidylinositol transfer protein from a pseudo-Sec14 scaffold by directed evolution Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CRAL-TRIO domain-containing protein YKL091C, GLYCEROL Authors: Ortlund, E.A, Schaaf, G, Bankaitis, V.A. Deposit date: 2011-01-06 Release date: 2011-02-23 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Resurrection of a functional phosphatidylinositol transfer protein from a pseudo-Sec14 scaffold by directed evolution. Mol.Biol.Cell, 22, 2011
4C1A	Coiled coil domain of the ZfL2-1 ORF1 protein from the zebrafish ZfL2- 1 retrotransposon Descriptor: GLYCEROL, ORF1-ENCODED PROTEIN Authors: Schneider, A.M, Weichenrieder, O. Deposit date: 2013-08-11 Release date: 2013-09-11 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Structure and Properties of the Esterase from Non-Ltr Retrotransposons Suggest a Role for Lipids in Retrotransposition. Nucleic Acids Res., 41, 2013
4YVH	Crystal Structure of H. influenzae TrmD in complex with sinefungin Descriptor: SINEFUNGIN, tRNA (guanine-N(1)-)-methyltransferase Authors: Yoshida, K, Ito, T, Yokoyama, S. Deposit date: 2015-03-20 Release date: 2015-07-15 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structural basis for methyl-donor-dependent and sequence-specific binding to tRNA substrates by knotted methyltransferase TrmD. Proc.Natl.Acad.Sci.USA, 112, 2015
2VO5	Structural and biochemical evidence for a boat-like transition state in beta-mannosidases Descriptor: (1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... Authors: Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. Deposit date: 2008-02-08 Release date: 2008-04-01 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases. Nat.Chem.Biol., 4, 2008
6KEO	Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in 17beta-estradiol-bound form Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ESTRADIOL, Glutathione S-transferase E14 Authors: Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T. Deposit date: 2019-07-04 Release date: 2019-10-02 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.7 Å) Cite: An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo. J.Biol.Chem., 295, 2020
4YVU	Crystal structure of CotA native enzyme in the acid condition, PH5.6 Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ... Authors: Liu, Z.C, Xie, T, Wang, G.G. Deposit date: 2015-03-20 Release date: 2016-03-30 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structure of CotA laccase complexed with 2,2-azinobis-(3-ethylbenzothiazoline-6-sulfonate) at a novel binding site Acta Crystallogr.,Sect.F, 72, 2016
3ZCI	Crystal structure of Helicobacter pylori T4SS protein CagL in a cubic crystal form with a distorted helical conformation of the RGD-motif Descriptor: 1,4-DIETHYLENE DIOXIDE, CAG PATHOGENICITY ISLAND PROTEIN (CAG18), CHLORIDE ION, ... Authors: Barden, S, Niemann, H.H. Deposit date: 2012-11-20 Release date: 2013-10-09 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.201 Å) Cite: A Helical Rgd Motif Promoting Cell Adhesion: Crystal Structures of the Helicobacter Pylori Type Iv Secretion System Pilus Protein Cagl Structure, 21, 2013
9MDQ	Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) Complex with Azapeptide Inhibitor 20a Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-{2-(dichloroacetyl)-2-[(2-oxo-1,2-dihydropyridin-3-yl)methyl]hydrazin-1-yl}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide Authors: Vishwakarma, J, Taylor, A.B, Harris, R.S. Deposit date: 2024-12-05 Release date: 2025-09-24 Last modified: 2025-10-08 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Azapeptide-Based SARS-CoV-2 Main Protease Inhibitors: Design, Synthesis, Enzyme Inhibition, Structural Determination, and Antiviral Activity. J.Med.Chem., 68, 2025
4Y6G	Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and beta-site. Descriptor: 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... Authors: Hilario, E, Caulkins, B.G, Young, R.P, Dunn, M.F, Mueller, L.J, Fan, L. Deposit date: 2015-02-13 Release date: 2016-02-10 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water. Biochim.Biophys.Acta, 1864, 2016
3WY3	Crystal structure of alpha-glucosidase mutant D202N in complex with glucose and glycerol Descriptor: Alpha-glucosidase, GLYCEROL, MAGNESIUM ION, ... Authors: Shen, X, Gai, Z, Kato, K, Yao, M. Deposit date: 2014-08-18 Release date: 2015-06-10 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural analysis of the alpha-glucosidase HaG provides new insights into substrate specificity and catalytic mechanism Acta Crystallogr. D Biol. Crystallogr., 71, 2015
5R51	PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N14003a Descriptor: 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate, DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22 Authors: Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M. Deposit date: 2020-02-28 Release date: 2020-07-01 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.65 Å) Cite: PanDDA analysis group deposition To Be Published
3K9O	The crystal structure of E2-25K and UBB+1 complex Descriptor: Ubiquitin, Ubiquitin-conjugating enzyme E2 K Authors: Kang, G.B, Ko, S, Song, S.M, Lee, W, Eom, S.H. Deposit date: 2009-10-16 Release date: 2010-09-08 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural Basis of E2-25K/UBB+1 Interaction for Neurotoxicity of Alzheimer Disease by Proteasome Inhibition To be Published
5VPA	Transcription factor FosB/JunD bZIP domain Descriptor: CHLORIDE ION, Protein fosB, SODIUM ION, ... Authors: Yin, Z, Machius, M, Rudenko, G. Deposit date: 2017-05-04 Release date: 2017-09-06 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.83 Å) Cite: Activator Protein-1: redox switch controlling structure and DNA-binding. Nucleic Acids Res., 45, 2017
3GEP	Human hypoxanthine guanine phosphoribosyltranserfase in complex with (S)-9-(3-hydroxy-2-phosphonylmethoxypropyl)guanine Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, {[(1S)-2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid Authors: Guddat, L.W, Keough, D.T, Jersey, J. Deposit date: 2009-02-25 Release date: 2009-08-18 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Inhibition of hypoxanthine-guanine phosphoribosyltransferase by acyclic nucleoside phosphonates: a new class of antimalarial therapeutics. J.Med.Chem., 52, 2009
3QGM	p-nitrophenyl phosphatase from Archaeoglobus fulgidus Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, p-nitrophenyl phosphatase (Pho2) Authors: Osipiuk, J, Zheng, H, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2011-01-24 Release date: 2011-02-09 Last modified: 2024-11-27 Method: X-RAY DIFFRACTION (2 Å) Cite: p-nitrophenyl phosphatase from Archaeoglobus fulgidus. To be Published
1IOM	CRYSTAL STRUCTURE OF CITRATE SYNTHASE FROM THERMUS THERMOPHILUS HB8 Descriptor: CARBONATE ION, CITRATE SYNTHASE, GLYCEROL, ... Authors: Kanamori, E, Kouyama, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2001-03-19 Release date: 2003-07-29 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structural comparison between the open and closed forms of citrate synthase from Thermus thermophilus HB8. Biophys Physicobio., 12, 2015
2XRU	AURORA-A T288E COMPLEXED WITH PHA-828300 Descriptor: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 Authors: Bindi, S, Fancelli, D, Alli, C, Berta, D, Bertrand, J.A, Cameron, A.D, Cappella, P, Carpinelli, P, Cervi, G, Croci, W, D'Anello, M, Forte, B, LauraGiorgini, M, Marsiglio, A, Moll, J, Pesenti, E, Pittala, V, Pulici, M, Riccardi-Sirtori, F, Roletto, F, Soncini, C, Storici, P, Varasi, M, Volpi, D, Zugnoni, P, Vianello, P. Deposit date: 2010-09-22 Release date: 2010-09-29 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Thieno[3,2-C]Pyrazoles: A Novel Class of Aurora Inhibitors with Favorable Antitumor Activity. Bioorg.Med.Chem., 18, 2010
7FTF	Crystal Structure of apo human cyclic GMP-AMP synthase Descriptor: 1,2-ETHANEDIOL, Cyclic GMP-AMP synthase, ZINC ION Authors: Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G. Deposit date: 2023-02-08 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (1.508 Å) Cite: Crystal Structure of a human cyclic GMP-AMP synthase complex To be published
5VUA	Pim1 Kinase in complex with a benzofuranone inhibitor Descriptor: (2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1-benzofuran-3-one, GLYCEROL, PHOSPHATE ION, ... Authors: Parker, L.J. Deposit date: 2017-05-18 Release date: 2017-12-13 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach J Chem Inf Model, 57, 2017

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