PDB: 31311 resultsInfo pagesStatus searchChemie searchBIRD

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8OZ9	Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-383 Descriptor: 7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine, Chemotaxis protein CheA Authors: Adhav, A, Marina, A. Deposit date: 2023-05-08 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-383 To Be Published
7Z0I	human PEX13 SH3 domain Descriptor: 1,2-ETHANEDIOL, Peroxisomal membrane protein PEX13, ZINC ION Authors: Gaussmann, S, Zak, K, Sattler, M. Deposit date: 2022-02-23 Release date: 2023-03-08 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Intramolecular autoinhibition of human PEX13 modulates peroxisomal import Biorxiv, 2022
8P2N	Polymeric form of the BTB domain of ZBTB8A from Xenopus laevis Descriptor: Zinc finger and BTB domain-containing protein 8A.1-A Authors: Coste, F, Mance, L, Suskiewicz, M.J. Deposit date: 2023-05-16 Release date: 2024-06-05 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Polymeric form of the BTB domain of ZBTB8A from Xenopus laevis To Be Published
5DVA	Fragments bound to the OXA-48 beta-lactamase: Compound 1 Descriptor: 3-(pyridin-4-yl)benzoic acid, Beta-lactamase, CHLORIDE ION Authors: Lund, B.A, Christopeit, T, Leiros, H.-K.S. Deposit date: 2015-09-21 Release date: 2016-06-01 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.50003886 Å) Cite: Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening. J.Med.Chem., 59, 2016
8SSC	Full-Length Methionine synthase from Thermus thermophilus HB8 Descriptor: Methionine synthase, POTASSIUM ION, SULFATE ION Authors: Yamada, K, Mendoza, J, Koutmos, M. Deposit date: 2023-05-08 Release date: 2023-10-18 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Structure of full-length cobalamin-dependent methionine synthase and cofactor loading captured in crystallo. Nat Commun, 14, 2023
7W8B	Crystal Structure of human Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase Descriptor: Isoform 5 of Focal adhesion kinase 1 Authors: Momin, A.A, Sandholu, A.S, Arold, S.T. Deposit date: 2021-12-07 Release date: 2023-07-05 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.093 Å) Cite: Crystal Structure of human Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase To Be Published
7ZCD	Mutant L39Y-L58F of recombinant bovine beta-lactoglobulin in complex with pramocaine Descriptor: Beta-lactoglobulin, Pramocaine, SULFATE ION Authors: Loch, J.I, Kurpiewska, K, Bonarek, P. Deposit date: 2022-03-27 Release date: 2023-04-05 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.1 Å) Cite: beta-Lactoglobulin variants as potential carriers of pramoxine: Comprehensive structural and biophysical studies. J.Mol.Recognit., 36, 2023
8VFU	The Fab Crystal Structure of the PAN IL-1 Family Inhibitor Antibody 3G5 Descriptor: 3G5 Heavy Chain, 3G5 Light Chain Authors: Fields, J.K, Sundberg, E.J. Deposit date: 2023-12-22 Release date: 2024-02-21 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Antibodies targeting the shared cytokine receptor IL-1 receptor accessory protein invoke distinct mechanisms to block all cytokine signaling. Cell Rep, 43, 2024
6MV7	Crystal structure of RNAse 6 Descriptor: ADENOSINE MONOPHOSPHATE, Ribonuclease K6 Authors: Couture, J.-F, Doucet, N. Deposit date: 2018-10-24 Release date: 2019-11-13 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.59 Å) Cite: Insights into Structural and Dynamical Changes Experienced by Human RNase 6 upon Ligand Binding. Biochemistry, 59, 2020
7MWU	Structure of the E. coli PutA proline dehydrogenase domain (residues 86-630) complexed with cyclobutanecarboxylic acid Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ... Authors: Tanner, J.J, Bogner, A.N. Deposit date: 2021-05-17 Release date: 2022-01-19 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Structure-affinity relationships of reversible proline analog inhibitors targeting proline dehydrogenase. Org.Biomol.Chem., 20, 2022
5V2I	Crystal structure of a mutant glycosylasparaginase (G172D) that causes the genetic disease Aspartylglucosaminuria Descriptor: Glycosylasparaginase Authors: Pande, S, Guo, H. Deposit date: 2017-03-04 Release date: 2017-05-17 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Crystal structure of a mutant glycosylasparaginase shedding light on aspartylglycosaminuria-causing mechanism as well as on hydrolysis of non-chitobiose substrate. Mol. Genet. Metab., 121, 2017
7NDX	Crystal structure of the human HSP40 DNAJB1-CTDs in complex with a peptide of NudC Descriptor: 1,2-ETHANEDIOL, DnaJ homolog subfamily B member 1, Nuclear migration protein nudC Authors: Delhommel, F, Zak, K.M, Popowicz, G.M, Sattler, M. Deposit date: 2021-02-02 Release date: 2022-01-19 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.541 Å) Cite: NudC guides client transfer between the Hsp40/70 and Hsp90 chaperone systems. Mol.Cell, 82, 2022
7ZE9	Structure of an AA16 LPMO-like protein Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COPPER (II) ION, ... Authors: Huang, Z, Banerjee, S, Muderspach, S.J, Sun, P, van Berkel, W.J.H, Kabel, M.A, Lo Leggio, L. Deposit date: 2022-03-30 Release date: 2023-03-15 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.646 Å) Cite: AA16 Oxidoreductases Boost Cellulose-Active AA9 Lytic Polysaccharide Monooxygenases from Myceliophthora thermophila. Acs Catalysis, 13, 2023
8SSG	Minimal protein-only/RNA-free Ribonuclease P from Hydrogenobacter thermophilus Descriptor: RNA-free ribonuclease P Authors: Mendoza, J, Wilhelm, C.A, Mallik, L, Koutmos, M. Deposit date: 2023-05-08 Release date: 2023-10-18 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Bacterial RNA-free RNase P: Structural and functional characterization of multiple oligomeric forms of a minimal protein-only ribonuclease P. J.Biol.Chem., 299, 2023
5V2Z	Ethylene forming enzyme in complex with manganese, 2-oxoadipic acid and L-arginine Descriptor: 2-OXOADIPIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, ... Authors: Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. Deposit date: 2017-03-06 Release date: 2017-08-16 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.23 Å) Cite: Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist. J. Am. Chem. Soc., 139, 2017
7N14	Crystal structure of 4-(1H-1,2,4-triazol-1-yl)benzoic acid-bound CYP199A4 Descriptor: 4-(1H-1,2,4-triazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Podgorski, M.N, Bruning, J.B, Bell, S.G. Deposit date: 2021-05-26 Release date: 2022-02-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.537 Å) Cite: To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme. Inorg.Chem., 61, 2022
6MVU	Structure of a bacterial ALDH16 active site mutant C295A complexed with p-nitrophenylacetate Descriptor: 4-nitrophenyl acetate, Aldehyde dehydrogenase, GLYCEROL, ... Authors: Tanner, J.J, Liu, L. Deposit date: 2018-10-28 Release date: 2018-12-26 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.488 Å) Cite: Crystal Structure of Aldehyde Dehydrogenase 16 Reveals Trans-Hierarchical Structural Similarity and a New Dimer. J. Mol. Biol., 431, 2019
8W0C	Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopentyl ester AMP inhibitor Descriptor: 5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-02-13 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopentyl ester AMP inhibitor To be published
8SWT	Structure of Bacteroides fragilis PNP bound to transition state analog IMMUCILLIN H and sulfate Descriptor: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, Purine nucleoside phosphorylase, SULFATE ION Authors: Fedorov, E, Ghosh, A. Deposit date: 2023-05-19 Release date: 2023-10-18 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity. Biochemistry, 62, 2023
8W0D	Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor Descriptor: 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-02-13 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor To be published
5DXA	Crystal structure of CARM1, sinefungin, and methylated PABP1 peptide (R460) Descriptor: GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN, ... Authors: Boriack-Sjodin, P.A. Deposit date: 2015-09-23 Release date: 2015-11-25 Last modified: 2016-03-30 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates. Acs Chem.Biol., 11, 2016
7MU8	Structure of the minimally glycosylated human CEACAM1 N-terminal domain Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, ... Authors: Belcher Dufrisne, M, Swope, N, Kieber, M, Yang, J.Y, Han, J, Li, J, Moremen, K.W, Prestegard, J.H, Columbus, L. Deposit date: 2021-05-14 Release date: 2022-02-09 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Human CEACAM1 N-domain dimerization is independent from glycan modifications. Structure, 30, 2022
7MZV	Structure of yeast pseudouridine synthase 7 (PUS7) Descriptor: Multisubstrate pseudouridine synthase 7, SULFATE ION Authors: Purchal, M, Koutmos, M. Deposit date: 2021-05-24 Release date: 2022-02-09 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Pseudouridine synthase 7 is an opportunistic enzyme that binds and modifies substrates with diverse sequences and structures. Proc.Natl.Acad.Sci.USA, 119, 2022
6N6Q	Crystal structure of a Cytochrome P450 (CYP102L1) Descriptor: CACODYLATE ION, Cytochrome P450 (CYP102L1), PROTOPORPHYRIN IX CONTAINING FE Authors: Follmer, A.H, Poulos, T.L. Deposit date: 2018-11-26 Release date: 2019-06-05 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: On the occurrence of cytochrome P450 in viruses. Proc.Natl.Acad.Sci.USA, 116, 2019
7PK8	LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria Descriptor: (2S,4S)-4-fluoranyl-N-[(3R,5R)-5-[[[4-[2-(4-methylphenyl)ethynyl]phenyl]carbonylamino]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... Authors: Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. Deposit date: 2021-08-25 Release date: 2022-09-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.3 Å) Cite: LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published

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