PDB: 82554 resultsInfo pagesStatus searchChemie searchBIRD

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8PRK	THE R78K AND D117E ACTIVE SITE VARIANTS OF SACCHAROMYCES CEREVISIAE SOLUBLE INORGANIC PYROPHOSPHATASE: STRUCTURAL STUDIES AND MECHANISTIC IMPLICATIONS Descriptor: MANGANESE (II) ION, PHOSPHATE ION, PROTEIN (INORGANIC PYROPHOSPHATASE) Authors: Tuominen, V, Heikinheimo, P, Kajander, T, Torkkel, T, Hyytia, T, Kapyla, J, Lahti, R, Cooperman, B.S, Goldman, A. Deposit date: 1998-09-16 Release date: 1998-12-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.85 Å) Cite: The R78K and D117E active-site variants of Saccharomyces cerevisiae soluble inorganic pyrophosphatase: structural studies and mechanistic implications. J.Mol.Biol., 284, 1998
8PRF	The structure of nvBagel5 Descriptor: Cell surface protein, ZINC ION Authors: Vandebroek, L, Voet, A.R.D, Lee, X.Y. Deposit date: 2023-07-12 Release date: 2024-07-24 Method: X-RAY DIFFRACTION (2.8 Å) Cite: The structure of v13Bagel2 To Be Published
8PRE	The structure of nvBagel2 in the presence of Zn(II) Descriptor: Cell surface protein, ZINC ION Authors: Vandebroek, L, Voet, A.R.D, Lee, X.Y. Deposit date: 2023-07-12 Release date: 2024-07-24 Method: X-RAY DIFFRACTION (3.1 Å) Cite: The structure of v13Bagel2 To Be Published
8PRA	The structure of v13Bagel4 Descriptor: Cell surface protein Authors: Vandebroek, L, Voet, A.R.D, Lee, X.Y. Deposit date: 2023-07-12 Release date: 2024-07-24 Method: X-RAY DIFFRACTION (2.05 Å) Cite: The structure of v13Bagel4 To Be Published
8PR7	Aurora-A in complex with CEP192 and an inhibitory monobody Descriptor: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, Centrosomal protein of 192 kDa, ... Authors: Miles, J.A, Bayliss, R. Deposit date: 2023-07-12 Release date: 2024-07-24 Method: X-RAY DIFFRACTION (2.76 Å) Cite: Aurora-A in complex with CEP192 and an inhibitory monobody To Be Published
8PQT	Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 WT bound to Bis-Tris Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nucleoside 2-deoxyribosyltransferase Authors: Tang, P, Harding, C.J, Czekster, C.M. Deposit date: 2023-07-11 Release date: 2024-02-21 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase. Acs Catalysis, 14, 2024
8PQS	Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 E88A Mutant Descriptor: Nucleoside 2-deoxyribosyltransferase Authors: Tang, P, Harding, C.J, Czekster, C.M. Deposit date: 2023-07-11 Release date: 2024-02-21 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase. Acs Catalysis, 14, 2024
8PQR	Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 WT bound to DAD_Immucillin-H Descriptor: 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Nucleoside 2-deoxyribosyltransferase Authors: Tang, P, Harding, C.J, Czekster, C.M. Deposit date: 2023-07-11 Release date: 2024-02-21 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.586 Å) Cite: Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase. Acs Catalysis, 14, 2024
8PQQ	Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 E88Q Mutant bound to Clofarabine Descriptor: 2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE, MAGNESIUM ION, Nucleoside 2-deoxyribosyltransferase Authors: Tang, P, Harding, C.J, Czekster, M.C. Deposit date: 2023-07-11 Release date: 2024-02-21 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase. Acs Catalysis, 14, 2024
8PQP	Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 D62N Mutant bound to ImmH-Forodesine Descriptor: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, Nucleoside 2-deoxyribosyltransferase Authors: Tang, P, Harding, C.J, Czekster, M.C. Deposit date: 2023-07-11 Release date: 2024-02-21 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.709 Å) Cite: Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase. Acs Catalysis, 14, 2024
8PQO	PITP in complex with the inhibitor VT01545 Descriptor: GLYCEROL, IMIDAZOLE, Inhibitor VT01545, ... Authors: Boura, E, Eisenreichova, A. Deposit date: 2023-07-11 Release date: 2024-05-08 Last modified: 2024-07-17 Method: X-RAY DIFFRACTION (2.3 Å) Cite: PITP in complex with the inhibitor VT01545 To Be Published
8PQN	NQO1 bound to RBS-10 Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide Authors: Pous, J, Jose-Duran, F, Mayor-Ruiz, C, Riera, A. Deposit date: 2023-07-11 Release date: 2024-01-10 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (3.8 Å) Cite: Discovery and Mechanistic Elucidation of NQO1-Bioactivatable Small Molecules That Overcome Resistance to Degraders. Angew.Chem.Int.Ed.Engl., 63, 2024
8PQK	APO crystal structure of PDGFRA-T674I kinase domain Descriptor: Platelet-derived growth factor receptor alpha Authors: Teuber, A, Mueller, M.P, Rauh, D. Deposit date: 2023-07-11 Release date: 2023-12-27 Last modified: 2024-08-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
8PQJ	PDGFRA wild-type kinase domain Descriptor: Platelet-derived growth factor receptor alpha Authors: Teuber, A, Mueller, M.P, Rauh, D. Deposit date: 2023-07-11 Release date: 2023-12-27 Last modified: 2024-08-07 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
8PQG	c-KIT T670I mutated kinase domain in complex with avapritinib Descriptor: Avapritinib, Mast/stem cell growth factor receptor Kit Authors: Teuber, A, Mueller, M.P, Rauh, D. Deposit date: 2023-07-11 Release date: 2023-12-27 Last modified: 2024-08-07 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
8PQ7	The Potato Late Blight pathogen (Phytophthora infestans) effector protein Pi04134 in complex with potato protein phosphatase type 1c (PP1c). Descriptor: 1,2-ETHANEDIOL, MANGANESE (II) ION, RxLR effector protein PexRD24, ... Authors: Bentham, A.R, Banfield, M.J. Deposit date: 2023-07-10 Release date: 2023-07-19 Last modified: 2024-04-17 Method: X-RAY DIFFRACTION (2.1 Å) Cite: The WY Domain of an RxLr Effector Drives Interactions with a Host Target Phosphatase to Mimic Host Regulatory Proteins and Promote Phytophthora infestans Infection. Mol.Plant Microbe Interact., 37, 2024
8PQ2	XBB 1.0 RBD bound to P4J15 (Local) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, P4J15 Fragment Antigen-Binding Heavy Chain, P4J15 Fragment Antigen-Binding Light Chain, ... Authors: Duhoo, Y, Lau, K. Deposit date: 2023-07-10 Release date: 2023-11-01 Last modified: 2023-12-06 Method: ELECTRON MICROSCOPY (3.85 Å) Cite: Broadly potent anti-SARS-CoV-2 antibody shares 93% of epitope with ACE2 and provides full protection in monkeys. J Infect, 87, 2023
8PPS	Dimeric RbdA EAL, in apo state Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, EAL domain-containing protein, ... Authors: Cordery, C.R, Maly, M, Walsh, M.A, Tews, I. Deposit date: 2023-07-08 Release date: 2024-05-15 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Phosphodiesterase activation in the biofilm dispersal protein RbdA and relationship to the biofilm formation protein PA2072 of similar architecture To Be Published
8PPN	Galectin-3 carbohydrate recognition domain in complex with thiodigalactoside at 1.8 resolution Descriptor: 1-thio-beta-D-galactopyranose-(1-1)-beta-D-galactopyranose, CHLORIDE ION, GLYCEROL, ... Authors: Tsagkarakou, A.S, Leonidas, D.D. Deposit date: 2023-07-07 Release date: 2023-09-13 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds. J.Med.Chem., 66, 2023
8PPL	MERS-CoV Nsp1 bound to the human 43S pre-initiation complex Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... Authors: Schubert, K, Karousis, E.D, Ban, I, Lapointe, C.P, Leibundgut, M, Baeumlin, E, Kummerant, E, Scaiola, A, Schoenhut, T, Ziegelmueller, J, Puglisi, J.D, Muehlemann, O, Ban, N. Deposit date: 2023-07-07 Release date: 2023-10-18 Last modified: 2024-04-24 Method: ELECTRON MICROSCOPY (2.65 Å) Cite: Universal features of Nsp1-mediated translational shutdown by coronaviruses. Mol.Cell, 83, 2023
8PPK	Bat-Hp-CoV Nsp1 and eIF1 bound to the human 40S small ribosomal subunit Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... Authors: Schubert, K, Karousis, E.D, Ban, I, Lapointe, C.P, Leibundgut, M, Baeumlin, E, Kummerant, E, Scaiola, A, Schoenhut, T, Ziegelmueller, J, Puglisi, J.D, Muehlemann, O, Ban, N. Deposit date: 2023-07-07 Release date: 2023-10-18 Last modified: 2024-04-24 Method: ELECTRON MICROSCOPY (2.98 Å) Cite: Universal features of Nsp1-mediated translational shutdown by coronaviruses. Mol.Cell, 83, 2023
8PPJ	Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,6,1'-tetrakisphosphate/ADP/Mn after reaction Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... Authors: Marquez-Monino, M.A, Gonzalez, B. Deposit date: 2023-07-07 Release date: 2024-02-28 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
8PPI	Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,1'-trisphosphate/ATP/Mn Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... Authors: Marquez-Monino, M.A, Gonzalez, B. Deposit date: 2023-07-07 Release date: 2024-02-28 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
8PPH	Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with alpha-D-glucopyranosyl 1,3,4-trisphosphate/ATP/Mn Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... Authors: Marquez-Monino, M.A, Gonzalez, B. Deposit date: 2023-07-07 Release date: 2024-02-28 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
8PPG	Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4,6-tetrakisphosphate/ADP/Mn after reaction Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... Authors: Marquez-Monino, M.A, Gonzalez, B. Deposit date: 2023-07-07 Release date: 2024-02-28 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024

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