PDB: 45744 resultsInfo pagesStatus searchChemie searchBIRD

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8U42	OvsA from Halomonas utahensis, a selenoxide synthase involved in ovoselenol biosynthesis Descriptor: 1,2-ETHANEDIOL, FE (III) ION, FORMIC ACID, ... Authors: Ireland, K.A, Davis, K.M. Deposit date: 2023-09-08 Release date: 2024-07-17 Last modified: 2024-08-28 Method: X-RAY DIFFRACTION (2 Å) Cite: Discovery of the selenium-containing antioxidant ovoselenol derived from convergent evolution. Nat.Chem., 2024
7RJI	BthTX-II variant b, from Bothrops jararacussu venom, complexed with stearic acid Descriptor: BthTX-IIb, SODIUM ION, STEARIC ACID, ... Authors: Borges, R.J, Fontes, M.R.M. Deposit date: 2021-07-21 Release date: 2022-01-05 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.71 Å) Cite: BthTX-II from Bothrops jararacussu venom has variants with different oligomeric assemblies: An example of snake venom phospholipases A 2 versatility. Int.J.Biol.Macromol., 191, 2021
8TRV	Structure of the EphA2 LBDCRD bound to FabS1C_C1 Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Ephrin type-A receptor 2, ... Authors: Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. Deposit date: 2023-08-10 Release date: 2024-07-17 Method: X-RAY DIFFRACTION (3.25 Å) Cite: Synthetic Antibodies targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation To be Published
7ROJ	Amyloid-related segment of alphaB-crystallin residues 90-100 with G95W mutation Descriptor: Alpha-crystallin B chain peptide, GLYCEROL, SODIUM ION, ... Authors: Sawaya, M.R, Do, T.D, Eisenberg, D.S. Deposit date: 2021-07-30 Release date: 2022-01-12 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Atomic view of an amyloid dodecamer exhibiting selective cellular toxic vulnerability in acute brain slices. Protein Sci., 31, 2022
8QU7	Crystal structure of the Plasmodium falciparum Apical membrane antigen (AMA1) in complex with single domain i-body WD34 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Apical membrane antigen 1, ... Authors: Maddumage, J.C, Kvansakul, M. Deposit date: 2023-10-14 Release date: 2024-07-03 Last modified: 2024-09-04 Method: X-RAY DIFFRACTION (2.6 Å) Cite: A broadly cross-reactive i-body to AMA1 potently inhibits blood and liver stages of Plasmodium parasites. Nat Commun, 15, 2024
8BPY	X-RAY STRUCTURE OF PDE9A IN COMPLEX WITH Inhibitor 13A Descriptor: (8~{S})-6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)-2-oxidanylidene-8-propyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... Authors: Steuber, H. Deposit date: 2022-11-18 Release date: 2022-12-28 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (3.3 Å) Cite: BAY-7081: A Potent, Selective, and Orally Bioavailable Cyanopyridone-Based PDE9A Inhibitor. J.Med.Chem., 65, 2022
8TV2	Structure of apo FabS1C_L1 Descriptor: CHLORIDE ION, S1C variant of Fab_L1 heavy chain, S1C variant of Fab_L1 light chain, ... Authors: Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. Deposit date: 2023-08-17 Release date: 2024-07-31 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Synthetic Antibodies targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation To be published
8B3L	Hen Egg White Lysozyme 2s in situ crystallization Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... Authors: Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D. Deposit date: 2022-09-16 Release date: 2022-12-21 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.71 Å) Cite: JINXED: just in time crystallization for easy structure determination of biological macromolecules. Iucrj, 10, 2023
8OIO	Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 12, ... Authors: Dalietou, E.V, Chen, Z, Ramdass, A.E, Manning, C, Richardson, W, Aitmakhanova, K, Platt, M, Pike, A.C.W, Fedorov, O, Brennan, P, Bullock, A.N. Deposit date: 2023-03-23 Release date: 2024-04-03 Last modified: 2024-04-24 Method: X-RAY DIFFRACTION (1.954 Å) Cite: Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide To Be Published
7RG8	Crystal Structure of a Stable Heparanase Mutant Descriptor: ACETATE ION, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit, ... Authors: Whitefield, C, Hong, N.S, Jackson, C.J. Deposit date: 2021-07-14 Release date: 2022-03-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Computational design and experimental characterisation of a stable human heparanase variant. Rsc Chem Biol, 3, 2022
8P58	Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer R. Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... Authors: Costanzi, E, Demitri, N, Storici, P. Deposit date: 2023-05-23 Release date: 2024-05-01 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
7RHS	Cryo-EM structure of apo-state of human CNGA3/CNGB3 channel Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cyclic nucleotide-gated cation channel alpha-3, Cyclic nucleotide-gated cation channel beta-3, ... Authors: Zheng, X, Yang, J. Deposit date: 2021-07-18 Release date: 2022-03-02 Method: ELECTRON MICROSCOPY (2.93 Å) Cite: Structure of the human cone photoreceptor cyclic nucleotide-gated channel. Nat.Struct.Mol.Biol., 29, 2022
7RBE	Human DNA polymerase beta crosslinked binary complex - A Descriptor: 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, CITRIC ACID, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... Authors: Reed, A.J, Kumar, A. Deposit date: 2021-07-06 Release date: 2022-03-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA, 119, 2022
7RBF	Human DNA polymerase beta crosslinked binary complex - B Descriptor: 1,2-ETHANEDIOL, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DI(HYDROXYETHYL)ETHER, ... Authors: Reed, A.J, Kumar, A. Deposit date: 2021-07-06 Release date: 2022-03-09 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA, 119, 2022
1KNR	L-aspartate oxidase: R386L mutant Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, L-aspartate oxidase, ... Authors: Bossi, R.T, Mattevi, A. Deposit date: 2001-12-19 Release date: 2002-04-17 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structure of FAD-bound L-aspartate oxidase: insight into substrate specificity and catalysis. Biochemistry, 41, 2002
8P57	Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar X77. Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... Authors: Costanzi, E, Demitri, N, Storici, P. Deposit date: 2023-05-23 Release date: 2024-05-01 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
8P55	Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 75 micromolar MG-132. Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... Authors: Costanzi, E, Demitri, N, Storici, P. Deposit date: 2023-05-23 Release date: 2024-05-01 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
8TON	Crystal Structure of Engineered Mouse Protocadherin-15 EC3-EC7 Connection Descriptor: CALCIUM ION, POTASSIUM ION, Protocadherin-15 EC3-EC7, ... Authors: De-la-Torre, P, Brower, J, Indzhykulian, A. Deposit date: 2023-08-03 Release date: 2024-08-14 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Crystal Structure of Engineered Mouse Protocadherin-15 EC3-EC7 Connection To Be Published
8P5A	Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer R. Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... Authors: Costanzi, E, Demitri, N, Storici, P. Deposit date: 2023-05-23 Release date: 2024-05-01 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
8P87	Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM X77, from an "old" crystal. Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... Authors: Costanzi, E, Demitri, N, Storici, P. Deposit date: 2023-05-31 Release date: 2024-05-01 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
7RBG	Human DNA polymerase beta crosslinked ternary complex 1 Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, CALCIUM ION, ... Authors: Reed, A.J, Kumar, A. Deposit date: 2021-07-06 Release date: 2022-03-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA, 119, 2022
8P5C	Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer S. Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... Authors: Costanzi, E, Demitri, N, Storici, P. Deposit date: 2023-05-23 Release date: 2024-05-01 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
8P56	Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar X77. Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... Authors: Costanzi, E, Demitri, N, Storici, P. Deposit date: 2023-05-23 Release date: 2024-05-01 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
8BP2	2.8A STRUCTURE OF ZOLIFLODACIN WITH S.AUREUS DNA GYRASE AND DNA Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (20-MER), DNA gyrase subunit A, ... Authors: Bax, B.D, Morgan, H, Warren, A.J. Deposit date: 2022-11-15 Release date: 2023-02-08 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.8 Å) Cite: A 2.8 angstrom Structure of Zoliflodacin in a DNA Cleavage Complex with Staphylococcus aureus DNA Gyrase. Int J Mol Sci, 24, 2023
8BSG	COMPLEX OF LEPORINE SERUM ALBUMIN WITH DICLOFENAC Descriptor: (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, ... Authors: Bujacz, A, Talaj, J, Zielinski, K. Deposit date: 2022-11-25 Release date: 2023-02-08 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins. Int J Mol Sci, 24, 2023

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