PDB: 68393 resultsInfo pagesStatus searchChemie searchBIRD

---

4TX2	Crystal structure of the X-domain from teicoplanin biosynthesis Descriptor: Non-ribosomal peptide synthetase Authors: Peschke, M, Haslinger, K, Cryle, M.J. Deposit date: 2014-07-02 Release date: 2015-02-04 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.9 Å) Cite: X-domain of peptide synthetases recruits oxygenases crucial for glycopeptide biosynthesis. Nature, 521, 2015
1GH9	SOLUTION STRUCTURE OF A 8.3 KDA PROTEIN (GENE MTH1184) FROM METHANOBACTERIUM THERMOAUTOTROPHICUM Descriptor: 8.3 KDA PROTEIN (GENE MTH1184) Authors: Kozlov, G, Ekiel, I, Gehring, K, Northeast Structural Genomics Consortium (NESG) Deposit date: 2000-11-30 Release date: 2000-12-11 Last modified: 2023-12-27 Method: SOLUTION NMR Cite: Structural proteomics of an archaeon. Nat.Struct.Biol., 7, 2000
9EXH	Cryo-EM structure of the Apo E. coli BrxX methyltransferase Descriptor: Adenine-specific methyltransferase BrxX Authors: Adams, M.C, Ghilarov, D. Deposit date: 2024-04-08 Release date: 2025-03-05 Method: ELECTRON MICROSCOPY (3.9 Å) Cite: Molecular basis of foreign DNA recognition by BREX anti-phage immunity system. Nat Commun, 16, 2025
9EWZ	Cryo-EM structure of the E. coli BrxX methyltransferase in complex with DNA Descriptor: Adenine-specific methyltransferase BrxX, DNA (26-MER) with BREX binding site GGTAAG, MAGNESIUM ION, ... Authors: Adams, M.C, Ghilarov, D. Deposit date: 2024-04-05 Release date: 2025-03-05 Method: ELECTRON MICROSCOPY (2.22 Å) Cite: Molecular basis of foreign DNA recognition by BREX anti-phage immunity system. Nat Commun, 16, 2025
9EX7	Cryo-EM structure of the E. coli BrxX methyltransferase in complex with Ocr Descriptor: Adenine-specific methyltransferase BrxX, MAGNESIUM ION, Protein Ocr, ... Authors: Adams, M.C, Ghilarov, D. Deposit date: 2024-04-05 Release date: 2025-03-05 Method: ELECTRON MICROSCOPY (2.91 Å) Cite: Molecular basis of foreign DNA recognition by BREX anti-phage immunity system. Nat Commun, 16, 2025
7JM5	Crystal structure of KDM4B in complex with QC6352 Descriptor: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ... Authors: White, S.W, Yun, M. Deposit date: 2020-07-31 Release date: 2022-02-02 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma. Sci Transl Med, 14, 2022
4E4L	JAK1 kinase (JH1 domain) in complex with compound 30 Descriptor: 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 Authors: Eigenbrot, C. Deposit date: 2012-03-13 Release date: 2012-05-30 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
4E4M	JAK2 kinase (JH1 domain) in complex with compound 30 Descriptor: 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2 Authors: Eigenbrot, C. Deposit date: 2012-03-13 Release date: 2012-05-30 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
9N3R	Crystal structure of PRMT5:MEP50 in complex with MTA and TNG462 Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... Authors: Whittington, D.A. Deposit date: 2025-01-31 Release date: 2025-03-12 Last modified: 2025-03-19 Method: X-RAY DIFFRACTION (2.47 Å) Cite: Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion. J.Med.Chem., 68, 2025
9N3N	Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 3 Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... Authors: Whittington, D.A. Deposit date: 2025-01-31 Release date: 2025-03-12 Last modified: 2025-03-19 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion. J.Med.Chem., 68, 2025
9N3O	Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 14 Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... Authors: Whittington, D.A. Deposit date: 2025-01-31 Release date: 2025-03-12 Last modified: 2025-03-19 Method: X-RAY DIFFRACTION (2.37 Å) Cite: Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion. J.Med.Chem., 68, 2025
9N3Q	Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 51 Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ... Authors: Whittington, D.A. Deposit date: 2025-01-31 Release date: 2025-03-12 Last modified: 2025-03-19 Method: X-RAY DIFFRACTION (2.54 Å) Cite: Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion. J.Med.Chem., 68, 2025
9MGM	Crystal structure of PRMT5:MEP50 in complex with MTA and compound 24 Descriptor: 2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-{6-[(1-methyl-1H-pyrazol-5-yl)methoxy]-3,4-dihydroisoquinolin-2(1H)-yl}propyl]pyridine-4-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ... Authors: Whittington, D.A. Deposit date: 2024-12-11 Release date: 2025-03-05 Method: X-RAY DIFFRACTION (2.25 Å) Cite: MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design. J.Med.Chem., 68, 2025
9N3P	Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 30 Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... Authors: Whittington, D.A. Deposit date: 2025-01-31 Release date: 2025-03-12 Last modified: 2025-03-19 Method: X-RAY DIFFRACTION (2.51 Å) Cite: Discovery of TNG462: A Highly Potent and Selective MTA-Cooperative PRMT5 Inhibitor to Target Cancers with MTAP Deletion. J.Med.Chem., 68, 2025
9MGQ	Crystal structure of PRMT5:MEP50 in complex with sinefungin and compound 47 Descriptor: 1,2-ETHANEDIOL, 2-(cyclobutylamino)-N-{(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl}pyridine-4-carboxamide, DI(HYDROXYETHYL)ETHER, ... Authors: Whittington, D.A. Deposit date: 2024-12-11 Release date: 2025-03-05 Method: X-RAY DIFFRACTION (1.85 Å) Cite: MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design. J.Med.Chem., 68, 2025
9MGL	Crystal structure of PRMT5:MEP50 in complex with MTA and GSK3326595 Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, ... Authors: Whittington, D.A. Deposit date: 2024-12-11 Release date: 2025-03-05 Method: X-RAY DIFFRACTION (2.25 Å) Cite: MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design. J.Med.Chem., 68, 2025
9MGP	Crystal structure of PRMT5:MEP50 in complex with MTA and compound 46a Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... Authors: Whittington, D.A. Deposit date: 2024-12-11 Release date: 2025-03-05 Method: X-RAY DIFFRACTION (2.67 Å) Cite: MTA-Cooperative PRMT5 Inhibitors: Mechanism Switching Through Structure-Based Design. J.Med.Chem., 68, 2025
6CT6	Crystal structure of lactate dehydrogenase from Eimeria maxima with NADH and oxamate Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Lactate dehydrogenase, OXAMIC ACID, ... Authors: Wirth, J.D, Xu, C, Theobald, D.L. Deposit date: 2018-03-22 Release date: 2019-03-27 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.705 Å) Cite: The Mechanistic, Structural, and Evolutionary Origin of Lactate Dehydrogenase Substrate Specificity in Apicomplexa To Be Published
4E4N	JAK1 kinase (JH1 domain) in complex with compound 49 Descriptor: Tyrosine-protein kinase JAK1, tert-butyl [(1R,3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclopentyl]carbamate Authors: Eigenbrot, C. Deposit date: 2012-03-13 Release date: 2012-05-30 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
4EI4	JAK1 kinase (JH1 domain) in complex with compound 20 Descriptor: (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1 Authors: Eigenbrot, C, Steffek, M. Deposit date: 2012-04-04 Release date: 2012-07-04 Last modified: 2024-11-27 Method: X-RAY DIFFRACTION (2.22 Å) Cite: Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2. J.Med.Chem., 55, 2012
7TO9	BRD3-BD1 in complex with RaPID linear peptide 2xAcK.4xE (diAcK.4xE) Descriptor: 2xAcK.4xE (diAcK.4xE), Bromodomain-containing protein 3, GLYCEROL Authors: Mackay, J.P, Low, J.K.K, Patel, K. Deposit date: 2022-01-23 Release date: 2023-01-25 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome. J.Biol.Chem., 299, 2023
7TOA	BRD3-BD1 in complex with RaPID linear peptide 3xAcK.1 (triAcK.1) Descriptor: 3xAcK.1 (triAcK.1), Bromodomain-containing protein 3, GLYCEROL Authors: Patel, K, Low, J.K.K, Mackay, J.P. Deposit date: 2022-01-23 Release date: 2023-01-25 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.41 Å) Cite: mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome. J.Biol.Chem., 299, 2023
7TO8	BRD3-BD1 in complex with RaPID linear peptide 2xAcK.1 (diAcK.1) Descriptor: 2xAcK.1 (diAcK.1), Bromodomain-containing protein 3, GLYCEROL Authors: Patel, K, Low, J.K.K, Mackay, J.P. Deposit date: 2022-01-23 Release date: 2023-01-25 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome. J.Biol.Chem., 299, 2023
7TO7	BRD3-BD1 in complex with RaPID linear peptide 1xAcK.4XE (monoAcK.4xE) Descriptor: 1xAcK.4xE (monoAcK.4xE), Bromodomain-containing protein 3, GLYCEROL Authors: Mackay, J.P, Low, J.K.K, Patel, K. Deposit date: 2022-01-23 Release date: 2023-01-25 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.93 Å) Cite: mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome. J.Biol.Chem., 299, 2023
2CTI	DETERMINATION OF THE COMPLETE THREE-DIMENSIONAL STRUCTURE OF THE TRYPSIN INHIBITOR FROM SQUASH SEEDS IN AQUEOUS SOLUTION BY NUCLEAR MAGNETIC RESONANCE AND A COMBINATION OF DISTANCE GEOMETRY AND DYNAMICAL SIMULATED ANNEALING Descriptor: TRYPSIN INHIBITOR Authors: Holak, T.A, Gondol, D, Otlewski, J, Wilusz, T. Deposit date: 1990-08-28 Release date: 1992-01-15 Last modified: 2024-10-30 Method: SOLUTION NMR Cite: Determination of the complete three-dimensional structure of the trypsin inhibitor from squash seeds in aqueous solution by nuclear magnetic resonance and a combination of distance geometry and dynamical simulated annealing. J.Mol.Biol., 210, 1989

<10111213141516171819202122232425>