PDB: 46188 resultsInfo pagesStatus searchChemie searchBIRD

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4UND	HUMAN ARTD1 (PARP1) - CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR TALAZOPARIB Descriptor: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, POLY [ADP-RIBOSE] POLYMERASE 1, SODIUM ION Authors: Karlberg, T, Thorsell, A.G, Ekblad, T, Klepsch, M, Pinto, A.F, Tresaugues, L, Moche, M, Schuler, H. Deposit date: 2014-05-27 Release date: 2015-06-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. J. Med. Chem., 60, 2017
4UNR	Mtb TMK in complex with compound 23 Descriptor: 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase Authors: Read, J.A, Hussein, S, Gingell, H, Tucker, J. Deposit date: 2014-05-30 Release date: 2015-06-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
8SBU	Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii Descriptor: Maltose/maltodextrin-binding periplasmic protein,6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose Authors: Shaw, G.X, Needle, D, Stair, N.R, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. Deposit date: 2023-04-04 Release date: 2024-07-03 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii To be published
7KM6	APOBEC3B antibody 5G7 Fv-clasp Descriptor: 1,2-ETHANEDIOL, 5G7 human monoclonal FAB heavy chain, 5G7 human monoclonal FAB light chain, ... Authors: Tang, H, Shi, K, Aihara, H. Deposit date: 2020-11-02 Release date: 2021-05-12 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Structural Characterization of a Minimal Antibody against Human APOBEC3B. Viruses, 13, 2021
4UHK	Crystal structure of the receiver domain of CpxR from E. coli (phosphorylated) Descriptor: MAGNESIUM ION, TRANSCRIPTIONAL REGULATORY PROTEIN CPXR Authors: Mechaly, A.E, Alzari, P.M.A. Deposit date: 2015-03-24 Release date: 2016-04-13 Last modified: 2017-06-21 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural Coupling between Autokinase and Phosphotransferase Reactions in a Bacterial Histidine Kinase. Structure, 25, 2017
8RHS	Structure of the ZnF domain from human Roquin-1 Descriptor: Roquin-1 Authors: Schlundt, A, Tants, J.N. Deposit date: 2023-12-16 Release date: 2024-07-03 Last modified: 2024-09-18 Method: SOLUTION NMR Cite: Structure and RNA-binding of the helically extended Roquin CCCH-type zinc finger. Nucleic Acids Res., 52, 2024
3NOP	Light-induced intermediate structure L1 of Pseudomonas aeruginosa bacteriophytochrome Descriptor: BILIVERDINE IX ALPHA, Bacteriophytochrome Authors: Yang, X, Ren, Z, Moffat, K. Deposit date: 2010-06-25 Release date: 2012-11-07 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Temperature-scan cryocrystallography reveals reaction intermediates in bacteriophytochrome. Nature, 479, 2011
4UNN	Mtb TMK in complex with compound 8 Descriptor: 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE Authors: Read, J.A, Hussein, S, Gingell, H, Tucker, J. Deposit date: 2014-05-29 Release date: 2015-06-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
3NOU	Light-induced intermediate structure L3 of P. aeruginosa bacteriophytochrome Descriptor: BILIVERDINE IX ALPHA, Bacteriophytochrome Authors: Yang, X, Ren, Z, Moffat, K. Deposit date: 2010-06-25 Release date: 2012-11-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (3 Å) Cite: Temperature-scan cryocrystallography reveals reaction intermediates in bacteriophytochrome. Nature, 479, 2011
4M38	Crystal structure of Trypanosoma brucei protein arginine methyltransferase 7 complex with AdoHcy and histone H4 peptide Descriptor: Histone H4, Protein arginine N-methyltransferase 7, S-ADENOSYL-L-HOMOCYSTEINE Authors: Wang, C, Zhu, Y, Shi, Y. Deposit date: 2013-08-06 Release date: 2014-04-23 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural determinants for the strict monomethylation activity by trypanosoma brucei protein arginine methyltransferase 7. Structure, 22, 2014
3ITZ	Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridazine Inhibitor Descriptor: 4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide, Mitogen-activated protein kinase 14 Authors: Mohr, C, Jordan, S. Deposit date: 2009-08-28 Release date: 2010-03-02 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Part 2: Structure-activity relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase. Bioorg.Med.Chem.Lett., 20, 2010
3O0G	Crystal Structure of Cdk5:p25 in complex with an ATP analogue Descriptor: Cell division protein kinase 5, Cyclin-dependent kinase 5 activator 1, {4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone Authors: Mapelli, M. Deposit date: 2010-07-19 Release date: 2011-01-26 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Defining Cdk5 ligand chemical space with small molecule inhibitors of Tau phosphorylation Chem.Biol., 12, 2005
4UMV	CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN THE E2P STATE Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ZINC-TRANSPORTING ATPASE Authors: Wang, K.T, Sitsel, O, Meloni, G, Autzen, H.E, Andersson, M, Klymchuk, T, Nielsen, A.M, Rees, D.C, Nissen, P, Gourdon, P. Deposit date: 2014-05-21 Release date: 2014-08-13 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases. Nature, 514, 2014
4UOF	Crystallographic structure of nucleoside diphosphate kinase from Litopenaeus vannamei complexed with dADP Descriptor: 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NUCLEOSIDE DIPHOSPHATE KINASE Authors: Lopez-Zavala, A.A, Stojanoff, V, Rudino-Pinera, E, Sotelo-Mundo, R.R. Deposit date: 2014-06-03 Release date: 2014-09-10 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.102 Å) Cite: Structure of Nucleoside Diphosphate Kinase from the Pacific Shrimp (Litopenaeus Vannamei) in Binary Complexes with Purine and Pyrimidine Nucleoside Diphosphates Acta Crystallogr.,Sect.F, 79, 2014
8S6H	Cryo-EM Structure of the R388 plasmid conjugative pilus reveals a helical polymer characterised by an unusual pilin/phospholipid binary complex Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, TrwL protein Authors: Vadakkepat, A.K, Waksman, G, Redzej, A. Deposit date: 2024-02-27 Release date: 2024-07-24 Last modified: 2024-09-18 Method: ELECTRON MICROSCOPY (3.39 Å) Cite: Cryo-EM structure of the R388 plasmid conjugative pilus reveals a helical polymer characterized by an unusual pilin/phospholipid binary complex. Structure, 32, 2024
3NOQ	Crystal Structure of C101S Isocyanide Hydratase from Pseudomonas fluorescens Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ThiJ/PfpI family protein Authors: Lakshminarasimhan, M, Madzelan, P, Nan, R, Milkovic, N.M, Wilson, M.A. Deposit date: 2010-06-25 Release date: 2010-07-07 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1 Å) Cite: Evolution of New Enzymatic Function by Structural Modulation of Cysteine Reactivity in Pseudomonas fluorescens Isocyanide Hydratase. J.Biol.Chem., 285, 2010
4UOG	Crystallographic structure of nucleoside diphosphate kinase from Litopenaeus vannamei complexed with dCDP Descriptor: DEOXYCYTIDINE DIPHOSPHATE, MAGNESIUM ION, NUCLEOSIDE DIPHOSPHATE KINASE Authors: Lopez-Zavala, A.A, Stojanoff, V, Rudino-Pinera, E, Sotelo-Mundo, R.R. Deposit date: 2014-06-03 Release date: 2014-09-10 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure of Nucleoside Diphosphate Kinase from Pacific Shrimp (Litopenaeus Vannamei) in Binary Complexes with Purine and Pyrimidine Nucleoside Diphosphates Acta Crystallogr.,Sect.F, 79, 2014
8S30	Crystal structure of human PLK1 Polo-Box Domain in complex with Mis18 Descriptor: Protein Mis18-alpha, Serine/threonine-protein kinase PLK1 Authors: Jeyaprakash, A.A, Medina-Pritchard, B. Deposit date: 2024-02-19 Release date: 2024-08-21 Last modified: 2024-09-18 Method: X-RAY DIFFRACTION (1.94 Å) Cite: PLK1-mediated phosphorylation cascade activates Mis18 complex to ensure centromere inheritance. Science, 385, 2024
3NOR	Crystal Structure of T102S Isocyanide Hydratase from Pseudomonas fluorescens Descriptor: CITRIC ACID, ThiJ/PfpI family protein Authors: Lakshminarasimhan, M, Madzelan, P, Nan, R, Milkovic, N.M, Wilson, M.A. Deposit date: 2010-06-25 Release date: 2010-07-07 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Evolution of New Enzymatic Function by Structural Modulation of Cysteine Reactivity in Pseudomonas fluorescens Isocyanide Hydratase. J.Biol.Chem., 285, 2010
3NUF	Crystal structure of a PRD-containing transcription regulator (LSEI_2718) from Lactobacillus casei ATCC 334 at 1.38 A resolution Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PRD-containing transcription regulator, ... Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2010-07-06 Release date: 2010-09-08 Last modified: 2019-07-17 Method: X-RAY DIFFRACTION (1.38 Å) Cite: Crystal structure of a PRD-containing transcription regulator (LSEI_2718) from Lactobacillus casei ATCC 334 at 1.38 A resolution To be published
8S31	Crystal structure of human PLK1 Polo-Box Domain in complex with Mis18BP1 Descriptor: Mis18-binding protein 1, Serine/threonine-protein kinase PLK1 Authors: Jeyaprakash, A.A, Medina-Pritchard, B. Deposit date: 2024-02-19 Release date: 2024-08-21 Last modified: 2024-09-18 Method: X-RAY DIFFRACTION (2.134 Å) Cite: PLK1-mediated phosphorylation cascade activates Mis18 complex to ensure centromere inheritance. Science, 385, 2024
3IW8	Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea Descriptor: 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside Authors: Gruetter, C, Simard, J.R, Rauh, D. Deposit date: 2009-09-02 Release date: 2009-11-17 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
3NOT	Light-induced intermediate structure L2 of P. aeruginosa bacteriophytochrome Descriptor: BILIVERDINE IX ALPHA, Bacteriophytochrome Authors: Yang, X, Ren, Z, Moffat, K. Deposit date: 2010-06-25 Release date: 2012-11-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Temperature-scan cryocrystallography reveals reaction intermediates in bacteriophytochrome. Nature, 479, 2011
3FKN	P38 kinase crystal structure in complex with RO7125 Descriptor: 3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidine, Mitogen-activated protein kinase 14 Authors: Kuglstatter, A, Ghate, M. Deposit date: 2008-12-17 Release date: 2009-12-22 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
8RR5	MenT1 toxin (rv0078a) from Mycobacterium tuberculosis H37Rv, phosphorylated at T39 Descriptor: Nucleotidyl transferase AbiEii/AbiGii toxin family protein Authors: Arrowsmith, T.J, Blower, T.R. Deposit date: 2024-01-22 Release date: 2024-09-11 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Inducible auto-phosphorylation regulates a widespread family of nucleotidyltransferase toxins. Nat Commun, 15, 2024

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