PDB: 30805 resultsInfo pagesStatus searchChemie searchBIRD

---

6P98	OXA-48 carbapanemase, meropenem complex Descriptor: Beta-lactamase, CADMIUM ION, CALCIUM ION, ... Authors: Smith, C.A, Vakulenko, S.B. Deposit date: 2019-06-10 Release date: 2019-08-07 Last modified: 2019-10-09 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase. Antimicrob.Agents Chemother., 63, 2019
8DRL	Zn(II)-bound B2 dimer (H60/H100/H104) formed in Cu(II)//Zn(II) (M1 // M2) condition Descriptor: HEME C, Soluble cytochrome b562, ZINC ION Authors: Choi, T.S, Tezcan, F.A. Deposit date: 2022-07-21 Release date: 2022-10-12 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior. J.Am.Chem.Soc., 144, 2022
8PG3	Crystal structure of the metallo-beta-lactamase VIM1 with 2729 Descriptor: 7-[(1~{S})-1-[5-(2-azanylethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-18 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 2729 To Be Published
8DQ9	Crystal structure of GDP bound 3-dehydroquinate dehydratase I from Klebsiella oxytoca Descriptor: 3-dehydroquinate dehydratase I, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2022-07-18 Release date: 2022-07-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Crystal structure of GDP bound 3-dehydroquinate dehydratase I from Klebsiella oxytoca To be published
8PTT	Human NUDT5 in complex with MRK-952 Descriptor: 6-[(5~{R})-7-[3-chloranyl-4-(trifluoromethyl)phenyl]-2,7-diazaspiro[4.4]nonan-2-yl]-7-methyl-purine, ADP-sugar pyrophosphatase, MAGNESIUM ION Authors: Diaz-Saez, L, Koekemoer, L, Feyerherm, C, Sloman, S, Fischer, C, Schneider, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K.V.M. Deposit date: 2023-07-14 Release date: 2024-07-24 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Human NUDT5 in complex with MRK-952 To Be Published
6N5I	FtsY-NG high-resolution Descriptor: GLYCEROL, POTASSIUM ION, Signal recognition particle receptor FtsY Authors: Ataide, S.F, Faoro, C. Deposit date: 2018-11-21 Release date: 2019-10-09 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.498 Å) Cite: Structural insights into the G-loop dynamics of E. coli FtsY NG domain. J.Struct.Biol., 208, 2019
6VS9	Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(piperidin-1-ylmethyl)benzoic acid(fragment 11) Descriptor: 3-[(piperidin-1-yl)methyl]benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ... Authors: Ribeiro, J.A, Dias, M.V.B. Deposit date: 2020-02-10 Release date: 2020-07-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.842 Å) Cite: Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
8PGN	Crystal structure of the metallo-beta-lactamase VIM1 with 3169 Descriptor: 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-18 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.12 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 3169 To Be Published
6MYE	Crystal structure of human Scribble PDZ1 domain in complex with internal PDZ binding motif of Src homology 3 domain-containing guanine nucleotide exchange factor (SGEF) Descriptor: FORMIC ACID, Protein scribble homolog, Rho guanine nucleotide exchange factor 26, ... Authors: Sun, Y.J, Hou, T, Gakhar, L, Fuentes, E.J. Deposit date: 2018-11-01 Release date: 2019-04-10 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.1 Å) Cite: SGEF forms a complex with Scribble and Dlg1 and regulates epithelial junctions and contractility. J.Cell Biol., 218, 2019
8DRF	Zn(II)-bound B2 dimer (H60/H100/H104) Descriptor: HEME C, Soluble cytochrome b562, ZINC ION Authors: Choi, T.S, Tezcan, F.A. Deposit date: 2022-07-20 Release date: 2022-10-12 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior. J.Am.Chem.Soc., 144, 2022
6N5X	Crystal structure of the SNX5 PX domain in complex with the CI-MPR (space group P212121 - Form 1) Descriptor: GLYCEROL, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500), Sorting nexin-5,Cation-independent mannose-6-phosphate receptor Authors: Collins, B, Paul, B, Weeratunga, S. Deposit date: 2018-11-22 Release date: 2019-09-18 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.051 Å) Cite: Molecular identification of a BAR domain-containing coat complex for endosomal recycling of transmembrane proteins. Nat.Cell Biol., 21, 2019
7O39	Crystal structure of S. aureus DivIVA N terminal domain Descriptor: DivIVA Authors: Rao, V.A, Booth, S, Lewis, R.J. Deposit date: 2021-04-01 Release date: 2021-04-14 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Crystal structure of S. aureus DivIVA N terminal domain To Be Published
7XIU	Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester Descriptor: MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ... Authors: Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. Deposit date: 2022-04-14 Release date: 2022-04-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. J.Chem.Inf.Model., 62, 2022
6N67	Crystal structure of the ligase domain of fungal tRNA ligase Trl1 Descriptor: CHLORIDE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GLYCEROL, ... Authors: Peschek, J, Walter, P. Deposit date: 2018-11-26 Release date: 2019-07-03 Last modified: 2019-07-10 Method: X-RAY DIFFRACTION (1.9 Å) Cite: tRNA ligase structure reveals kinetic competition between non-conventional mRNA splicing and mRNA decay. Elife, 8, 2019
8PJZ	Crystal structure of the computationally designed SAKe6EEtal protein Descriptor: SAKe6EEtal Authors: Wouters, S.M.L. Deposit date: 2023-06-23 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Computational design of the SAKe scaffold proteins To Be Published
7NRF	Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 2) Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... Authors: Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. Deposit date: 2021-03-03 Release date: 2021-04-21 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
6PAR	Structure of a bacterial Atm1-family ABC exporter with MgAMPPNP bound Descriptor: ATM1-type heavy metal exporter, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER Authors: Fan, C, Kaiser, J.T, Rees, D.C. Deposit date: 2019-06-11 Release date: 2020-06-24 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3.35 Å) Cite: A structural framework for unidirectional transport by a bacterial ABC exporter. Proc.Natl.Acad.Sci.USA, 117, 2020
7NRE	Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 1) Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... Authors: Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. Deposit date: 2021-03-03 Release date: 2021-04-21 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
7XJ5	Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester Descriptor: MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ZINC ION, ... Authors: Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. Deposit date: 2022-04-15 Release date: 2022-04-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. J.Chem.Inf.Model., 62, 2022
6N6V	OXA-23 mutant F110A/M221A low pH form meropenem complex Descriptor: Beta-lactamase, meropenem, bound form Authors: Smith, C.A, Vakulenko, S.B. Deposit date: 2018-11-27 Release date: 2018-12-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases. Antimicrob. Agents Chemother., 63, 2019
8PM7	transcription factor BARHL2 bound to TAATC DNA sequence Descriptor: BarH-like 2 homeobox protein, DNA Authors: Morgunova, E, Popov, A, Yin, Y, Taipale, J. Deposit date: 2023-06-28 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.7 Å) Cite: transcription factor BARHL2 bound to DNA sequences To Be Published
8PGA	Crystal structure of the metallo-beta-lactamase VIM1 with 2818 Descriptor: 7-[(1~{S})-1-[5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-18 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (1.19 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 2818 To Be Published
7XIS	Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester Descriptor: (2-methoxy-4-methoxycarbonyl-phenyl) 5-nitrofuran-2-carboxylate, MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ... Authors: Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T. Deposit date: 2022-04-14 Release date: 2022-04-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity. J.Chem.Inf.Model., 62, 2022
6N0S	N-terminal domain of Staphylothermus marinus McrB Descriptor: ATPase associated with various cellular activities, AAA_5, SULFATE ION Authors: Hosford, C.J, Niu, Y, Chappie, J.S. Deposit date: 2018-11-07 Release date: 2019-11-13 Last modified: 2020-11-25 Method: X-RAY DIFFRACTION (1.92 Å) Cite: The N-terminal domain of Staphylothermus marinus McrB shares structural homology with PUA-like RNA binding proteins. J.Struct.Biol., 211, 2020
8PGP	Crystal structure of the metallo-beta-lactamase VIM1 with 3193 Descriptor: 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION Authors: Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. Deposit date: 2023-06-18 Release date: 2024-07-10 Method: X-RAY DIFFRACTION (0.97 Å) Cite: Crystal structure of the metallo-beta-lactamase VIM1 with 3193 To Be Published

<604605606607608609610611612613614615616617618619>