Legacy flatfile-incompatible PDB entries

6Z14	Structure of Bifidobacterium bifidum GH20 beta-N-beta-N-acetylhexosaminidase E553Q variant in complex with 4MU-6SGlcNAc-derived oxazoline Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-N-acetylhexosaminidase, NITRATE ION, ... Authors: He, Y, Jin, Y, Rizkallah, P, Chen, P. Deposit date: 2020-05-12 Release date: 2021-05-19 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Structure and activity of the GH20 beta-N-beta-N-acetylhexosaminidase from Bifidobacterium bifidum To Be Published
6Z17	PqsR (MvfR) in complex with antagonist 6 Descriptor: 6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, Transcriptional regulator MvfR Authors: Richardson, W.K, Emsley, J. Deposit date: 2020-05-12 Release date: 2020-09-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.15 Å) Cite: Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR. Eur.J.Med.Chem., 208, 2020
6Z1P	Structure of the mitochondrial ribosome from Tetrahymena thermophila Descriptor: 30S ribosomal protein S15, 30S ribosomal protein S16, 30S ribosomal protein S17, ... Authors: Tobiasson, V, Amunts, A. Deposit date: 2020-05-14 Release date: 2020-06-24 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3.7 Å) Cite: Ciliate mitoribosome illuminates evolutionary steps of mitochondrial translation. Elife, 9, 2020
6Z1Q	MAP3K14 (NIK) in complex with DesF-3R/4076 Descriptor: DesF-3R/4076, Mitogen-activated protein kinase kinase kinase 14 Authors: Jacoby, E, van Vlijmen, H, Querolle, O, Stansfield, I, Meerpoel, L, Versele, M, Hynd, G, Attar, R. Deposit date: 2020-05-14 Release date: 2020-07-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.42 Å) Cite: FEP+ calculations predict a stereochemical SAR switch for first-in-class indoline NIK inhibitors for multiple myeloma Future Drug Discov, 2, 2020
6Z1T	MAP3K14 (NIK) in complex with 4S/3694 Descriptor: 4S/3694, Mitogen-activated protein kinase kinase kinase 14 Authors: Jacoby, E, van Vlijmen, H, Querolle, O, Stansfield, I, Meerpoel, L, Versele, M, Hynd, G, Attar, R. Deposit date: 2020-05-14 Release date: 2020-07-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.31 Å) Cite: FEP+ calculations predict a stereochemical SAR switch for first-in-class indoline NIK inhibitors for multiple myeloma Future Drug Discov, 2, 2020
6Z2E	Crystal structure of SARS-CoV-2 Mpro in complex with the activity-based probe, biotin-PEG(4)-Abu-Tle-Leu-Gln-vinylsulfone Descriptor: (4~{S})-4-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{S},4~{R},6~{a}~{R})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{H}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide, 3C-like proteinase, CHLORIDE ION, ... Authors: Zhang, L, Hilgenfeld, R. Deposit date: 2020-05-15 Release date: 2020-06-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of SARS-CoV-2 Mpro in complex with the activity-based probe, biotin-PEG(4)-Abu-Tle-Leu-Gln-vinylsulfone To Be Published
6Z2N	Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV-L6 Descriptor: 1,2-ETHANEDIOL, BCV-L6, FE (III) ION, ... Authors: Naismith, J.H, Moynie, L.M. Deposit date: 2020-05-18 Release date: 2021-01-20 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.029 Å) Cite: Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa. Acs Infect Dis., 2022
6Z33	Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV Descriptor: 1,2-ETHANEDIOL, FE (III) ION, Ferric enterobactin receptor, ... Authors: Naismith, J.H, Moynie, L.M. Deposit date: 2020-05-19 Release date: 2020-07-29 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.711 Å) Cite: Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa. Acs Infect Dis., 2022
6Z39	Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY functionalised epoxide activity based probe Descriptor: (1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Rowland, R.J, Davies, G.J. Deposit date: 2020-05-19 Release date: 2021-06-30 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents. Chemistry, 27, 2021
6Z3C	High resolution structure of RgNanOx Descriptor: CITRATE ANION, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Naismith, J.H, Lee, M.O. Deposit date: 2020-05-19 Release date: 2020-06-03 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Uncovering a novel molecular mechanism for scavenging sialic acids in bacteria. J.Biol.Chem., 295, 2020
6Z3I	Structure of recombinant beta-glucocerebrosidase in complex with bifunctional cyclophellitol aziridine activity based probe Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ... Authors: Rowland, R.J, Davies, G.J. Deposit date: 2020-05-20 Release date: 2021-06-30 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents. Chemistry, 27, 2021
6Z3M	Repulsive Guidance Molecule B (RGMB) in complex with Growth Differentiation Factor 5 (GDF5) and Neogenin 1 (NEO1). Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Growth/differentiation factor 5, Neogenin, ... Authors: Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C. Deposit date: 2020-05-21 Release date: 2020-07-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (5.501 Å) Cite: Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex. Proc.Natl.Acad.Sci.USA, 117, 2020
6Z3N	Apo Structure of a Hydrolase from Pseudomonas aeruginosa PAO1 Descriptor: ACETATE ION, GLYCEROL, Hydrolase, ... Authors: Jin, Y, Rizkallah, P, Bell, H. Deposit date: 2020-05-21 Release date: 2021-06-09 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Apo Structure of a Small Alarmone Hydrolase from Pseudomonas aeruginosa PAO1 To Be Published
6Z3O	The E74Q mutant of Small Alarmone Hydrolase SAH from Pseudomonas aeruginosa PAO1 Descriptor: MANGANESE (II) ION, Small Alarmone Hydrolase Authors: Jin, Y, Rizkallah, P, Bell, H. Deposit date: 2020-05-21 Release date: 2021-01-27 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Apo Structure of a Small Alarmone Hydrolase from Pseudomonas aeruginosa PAO1 To Be Published
6Z3V	A4V mutant of human SOD1 bound with N-aryl benzoisoselenazolone derivative 13 in P21 space group Descriptor: 5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide, SULFATE ION, Superoxide dismutase [Cu-Zn], ... Authors: Amporndanai, K, Hasnain, S.S. Deposit date: 2020-05-22 Release date: 2020-09-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4G	A4V mutant of human SOD1 bound with ebselen in P21 space group Descriptor: ACETATE ION, CHLORIDE ION, N-phenyl-2-selanylbenzamide, ... Authors: Amporndanai, K, Hasnain, S.S. Deposit date: 2020-05-25 Release date: 2020-09-16 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4H	A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 2 in P21 space group Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ... Authors: Amporndanai, K, Hasnain, S.S. Deposit date: 2020-05-25 Release date: 2020-09-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4I	A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 3 in P21 space group Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... Authors: Amporndanai, K, Hasnain, S.S. Deposit date: 2020-05-25 Release date: 2020-09-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4J	A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 5 in P21 space group Descriptor: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ... Authors: Amporndanai, K, Hasnain, S.S. Deposit date: 2020-05-25 Release date: 2020-09-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4K	A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 6 in P21 space group Descriptor: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ... Authors: Amporndanai, K, Hasnain, S.S. Deposit date: 2020-05-25 Release date: 2020-09-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4L	A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 9 in P21 space group Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ... Authors: Amporndanai, K, Hasnain, S.S. Deposit date: 2020-05-25 Release date: 2020-09-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4M	A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 10 in P21 space group Descriptor: CHLORIDE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... Authors: Amporndanai, K, Hasnain, S.S. Deposit date: 2020-05-25 Release date: 2020-09-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4N	CRYSTAL STRUCTURE OF OASS COMPLEXED WITH UPAR INHIBITOR Descriptor: (1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid, COBALT (II) ION, Cysteine synthase A, ... Authors: Demitri, N, Storici, P, Campanini, B. Deposit date: 2020-05-25 Release date: 2021-04-07 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Investigational Studies on a Hit Compound Cyclopropane-Carboxylic Acid Derivative Targeting O -Acetylserine Sulfhydrylase as a Colistin Adjuvant. Acs Infect Dis., 7, 2021
6Z4O	A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 1 in P21 space group Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ... Authors: Amporndanai, K, Hasnain, S.S. Deposit date: 2020-05-25 Release date: 2020-09-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis. Ebiomedicine, 59, 2020
6Z4Q	Crystal structure of the neurotensin receptor 1 in complex with the small-molecule inverse agonist SR142948A Descriptor: 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin Authors: Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. Deposit date: 2020-05-25 Release date: 2021-02-10 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.923 Å) Cite: Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism. Sci Adv, 7, 2021

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