PDB: 17091 resultsInfo pagesStatus searchChemie searchBIRD

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3ZH4	crystal structure of S. pneumoniae Hungary 19A MurA1 in complex with citrate Descriptor: CITRATE ANION, DI(HYDROXYETHYL)ETHER, UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE Authors: Gutierrez-Fernandez, J, Hermoso, J.A. Deposit date: 2012-12-20 Release date: 2013-04-24 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Heteroresistance to Fosfomycin is Predominant in Streptococcus Pneumoniae and Depends on Mura1 Gene. Antimicrob.Agents Chemother., 57, 2013
3FYZ	OXA-24 beta-lactamase complex with SA4-17 inhibitor Descriptor: (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL Authors: Romero, A, Santillana, E. Deposit date: 2009-01-23 Release date: 2010-02-09 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase. J.Am.Chem.Soc., 132, 2010
3FZC	OXA-24 beta-lactamase complex with SA3-53 inhibitor Descriptor: (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL Authors: Romero, A, Santillana, E. Deposit date: 2009-01-24 Release date: 2010-02-09 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase. J.Am.Chem.Soc., 132, 2010
3UCX	The structure of a Short chain dehydrogenase from Mycobacterium smegmatis Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2011-10-27 Release date: 2011-11-09 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
3G4P	OXA-24 beta-lactamase at pH 7.5 Descriptor: Beta-lactamase OXA-24 Authors: Santillana, E, Romero, A. Deposit date: 2009-02-04 Release date: 2010-02-23 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase J.Am.Chem.Soc., 132, 2010
3CL9	Structure of bifunctional TcDHFR-TS in complex with MTX Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase (DHFR-TS), ... Authors: Schormann, N, Senkovich, O, Chattopadhyay, D. Deposit date: 2008-03-18 Release date: 2009-01-06 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function. Proteins, 73, 2008
7XCZ	Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7054 and BA7125 fab (local refinement) Descriptor: BA7054 fab, BA7125 fab, Spike glycoprotein Authors: Liu, Z, Liu, S. Deposit date: 2022-03-26 Release date: 2023-03-01 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
7XDK	Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7054 fab, ... Authors: Liu, Z, Lui, S, Gao, Y. Deposit date: 2022-03-27 Release date: 2023-03-01 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
7XDA	Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7208 and BA7125 fab (local refinement) Descriptor: BA7125 fab, BA7208 fab, Spike glycoprotein Authors: Liu, Z, Liu, S, Liu, S. Deposit date: 2022-03-26 Release date: 2023-03-01 Method: ELECTRON MICROSCOPY (2.98 Å) Cite: Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
7XDB	Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7208 fab, ... Authors: Liu, Z, Liu, S, Gao, Y.Z. Deposit date: 2022-03-26 Release date: 2023-03-01 Method: ELECTRON MICROSCOPY (2.62 Å) Cite: Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
7XDL	Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 fab Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7125 fab, ... Authors: Liu, Z, Liu, S, Yuanzhu, G. Deposit date: 2022-03-27 Release date: 2023-03-15 Method: ELECTRON MICROSCOPY (3.08 Å) Cite: Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
3FYC	Crystal Structure of Dim1 from the thermophilic archeon, Methanocaldococcus jannaschi Descriptor: PHOSPHATE ION, Probable dimethyladenosine transferase Authors: Scarsdale, J.N, Musayev, F.N, Rife, J.P. Deposit date: 2009-01-22 Release date: 2009-06-30 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structural and functional divergence within the Dim1/KsgA family of rRNA methyltransferases. J.Mol.Biol., 391, 2009
3GVC	Crystal structure of probable short-chain dehydrogenase-reductase from Mycobacterium tuberculosis Descriptor: Probable short-chain type dehydrogenase/reductase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-03-30 Release date: 2009-04-07 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
3ZH3	crystal structure of S. pneumoniae D39 native MurA1 Descriptor: UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE Authors: Gutierrez-Fernandez, J, Hermoso, J.A. Deposit date: 2012-12-20 Release date: 2013-04-24 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Heteroresistance to Fosfomycin is Predominant in Streptococcus Pneumoniae and Depends on Mura1 Gene. Antimicrob.Agents Chemother., 57, 2013
3GVG	Crystal structure of Triosephosphate isomerase from Mycobacterium tuberculosis Descriptor: GLYCEROL, Triosephosphate isomerase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-03-31 Release date: 2009-04-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
3GWC	Crystal structure of Mycobacterium tuberculosis thymidylate synthase X bound to FdUMP and FAD Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-03-31 Release date: 2009-04-28 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
3H81	Crystal structure of enoyl-CoA hydratase from Mycobacterium tuberculosis Descriptor: CALCIUM ION, GLYCEROL, enoyl-CoA hydratase echA8 Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-04-28 Release date: 2009-05-12 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
3H7F	Crystal structure of serine hydroxymethyltransferase from Mycobacterium tuberculosis Descriptor: MAGNESIUM ION, Serine hydroxymethyltransferase 1 Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-04-24 Release date: 2009-05-05 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
3HE2	Crystal structure of enoyl-CoA hydratase from Mycobacterium tuberculosis Descriptor: TRIETHYLENE GLYCOL, enoyl-CoA hydratase echA6 Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-05-07 Release date: 2009-06-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4ZZX	Structure of PARP2 catalytic domain bound to an isoindolinone inhibitor Descriptor: 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, POLY [ADP-RIBOSE] POLYMERASE 2 Authors: Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A. Deposit date: 2015-04-15 Release date: 2015-08-12 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy. J.Med.Chem., 58, 2015
8Q3E	High Resolution Structure of Nucleosome Core with Bound Foamy Virus GAG Peptide Descriptor: DNA (145-MER), GLY-GLY-TYR-ASN-LEU-ARG-PRO-ARG-THR-TYR-GLN-PRO-GLN-ARG-TYR-GLY-GLY-GLY, Histone H2A type 1-B/E, ... Authors: De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A. Deposit date: 2023-08-04 Release date: 2024-03-27 Method: X-RAY DIFFRACTION (2.174 Å) Cite: Viral peptide conjugates for metal-warhead delivery to chromatin. Rsc Adv, 14, 2024
8Q3M	Structure of Nucleosome Core with a Bound Kaposi Sarcoma Associated Herpesvirus LANA Peptide Having a Methionine to Ornithine Substitution Descriptor: DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... Authors: De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A. Deposit date: 2023-08-04 Release date: 2024-03-27 Method: X-RAY DIFFRACTION (2.503 Å) Cite: Viral peptide conjugates for metal-warhead delivery to chromatin. Rsc Adv, 14, 2024
8Q36	Structure of Nucleosome Core with a Bound Metallopeptide Conjugate (Foamy Virus GAG Peptide-Au[I] Compound) Descriptor: DNA (145-MER), GAG structural protein, Histone H2A type 1-B/E, ... Authors: De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A. Deposit date: 2023-08-03 Release date: 2024-03-27 Method: X-RAY DIFFRACTION (2.604 Å) Cite: Viral peptide conjugates for metal-warhead delivery to chromatin. Rsc Adv, 14, 2024
8Q3X	Structure of Nucleosome Core with a Bound Metallopeptide Conjugate (Kaposi Sarcoma Associated Herpesvirus LANA Peptide-Au[I] Compound) Descriptor: 4-diphenylphosphanylbenzoic acid, DNA (145-MER), GOLD ION, ... Authors: De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A. Deposit date: 2023-08-04 Release date: 2024-03-27 Method: X-RAY DIFFRACTION (2.301 Å) Cite: Viral peptide conjugates for metal-warhead delivery to chromatin. Rsc Adv, 14, 2024
8EJB	Bruton's tyrosine kinase in complex with 3-{[4-(1-acetylpiperidin-4-yl)phenyl]amino}-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide Descriptor: 1,2-ETHANEDIOL, 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ... Authors: Gajewski, S, Clifton, M.C. Deposit date: 2022-09-16 Release date: 2023-02-15 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.58 Å) Cite: NRX-0492 degrades wild-type and C481 mutant BTK and demonstrates in vivo activity in CLL patient-derived xenografts. Blood, 141, 2023

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