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8BP2
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2.8A STRUCTURE OF ZOLIFLODACIN WITH S.AUREUS DNA GYRASE AND DNA
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (20-MER), DNA gyrase subunit A, ...
著者Bax, B.D, Morgan, H, Warren, A.J.
登録日2022-11-15
公開日2023-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A 2.8 angstrom Structure of Zoliflodacin in a DNA Cleavage Complex with Staphylococcus aureus DNA Gyrase.
Int J Mol Sci, 24, 2023
8GUF
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Crystal structure of cyclic B subunit of type II heat labile enterotoxin
分子名称: Heat-labile enterotoxin IIB, B chain
著者Peng, Y.J, Wu, C.Y, Sue, S.C.
登録日2022-09-12
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal structure of cyclic B subunit of type II heat labile enterotoxin
To Be Published
8EC3
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The crystal structure of the complement inhibitory domain of Borrelia hermsii FbpC.
分子名称: Fibronectin-binding protein, MAGNESIUM ION
著者Booth, C.E, Garcia, B.L.
登録日2022-09-01
公開日2023-06-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational dynamics of complement protease C1r inhibitor proteins from Lyme disease- and relapsing fever-causing spirochetes.
J.Biol.Chem., 299, 2023
5JIX
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PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP
分子名称: 1,2-ETHANEDIOL, 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
著者Campbell, J.C, Kim, C.W.
登録日2016-04-22
公開日2017-05-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
8DSB
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Lambda Bacteriophage Orf63
分子名称: Xis (Excision72)
著者Donaldson, L.W.
登録日2022-07-22
公開日2023-07-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Bad Phages in Good Bacteria: Role of the Mysterious orf63 of lambda and Shiga Toxin-Converting Phi 24 B Bacteriophages.
Front Microbiol, 8, 2017
8B4T
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Human cathepsin B in complex with the carbamate inhibitor 7
分子名称: (2S)-2-[[(2S)-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid, Cathepsin B
著者Rubesova, P, Guetschow, M, Mares, M.
登録日2022-09-21
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Human cathepsin B in complex with the carbamate inhibitor 7
To Be Published
8B5E
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BU of 8b5e by Molmil
Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ
分子名称: ABC transporter permease subunit, ARGININE, DI(HYDROXYETHYL)ETHER, ...
著者Whittaker, J, Guskov, A.
登録日2022-09-22
公開日2023-10-04
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Exploring the Ligand Binding and Conformational Dynamics of the Substrate-Binding Domain 1 of the ABC Transporter GlnPQ.
J.Phys.Chem.B, 128, 2024
8B5F
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Human cathepsin B in complex with the carbamate inhibitor 31
分子名称: (2S)-2-[[(2S)-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid, 1,2-ETHANEDIOL, Cathepsin B
著者Rubesova, P, Guetschow, M, Mares, M.
登録日2022-09-22
公開日2023-10-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Human cathepsin B in complex with the carbamate inhibitor 31
To Be Published
5I8G
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BU of 5i8g by Molmil
CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
分子名称: (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5LV5
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Crystal structure of mouse PRMT6 in complex with inhibitor LH1458
分子名称: 2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium, Protein arginine N-methyltransferase 6
著者Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J.
登録日2016-09-12
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
5U0T
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BU of 5u0t by Molmil
Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-D-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside
分子名称: (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-D-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, MAGNESIUM ION, Putative gentamicin methyltransferase, ...
著者Bury, P, Huang, F, Leadlay, P, Dias, M.V.B.
登録日2016-11-27
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.109 Å)
主引用文献Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis.
ACS Chem. Biol., 12, 2017
8BN6
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Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021
分子名称: 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B
著者Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D.
登録日2022-11-12
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献New Dual Inhibitors of Bacterial Topoisomerases with Broad-Spectrum Antibacterial Activity and In Vivo Efficacy against Vancomycin-Intermediate Staphylococcus aureus .
J.Med.Chem., 66, 2023
6WDG
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Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure VI-B)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Loveland, A.B, Demo, G, Korostelev, A.A.
登録日2020-03-31
公開日2020-07-01
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
8CRB
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BU of 8crb by Molmil
Cryo-EM structure of PcrV/Fab(11-E5)
分子名称: Heavy chain, Light chain, Maltose/maltodextrin-binding periplasmic protein,Type III secretion protein PcrV
著者Yuan, B, Simonis, A, Marlovits, T.C.
登録日2023-03-08
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Discovery of highly neutralizing human antibodies targeting Pseudomonas aeruginosa.
Cell, 186, 2023
8CR9
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Cryo-EM structure of PcrV/Fab(30-B8)
分子名称: Heavy chain, Maltose/maltodextrin-binding periplasmic protein,Type III secretion protein PcrV, light chain
著者Yuan, B, Simonis, A, Marlovits, T.C.
登録日2023-03-08
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Discovery of highly neutralizing human antibodies targeting Pseudomonas aeruginosa.
Cell, 186, 2023
5IO5
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BU of 5io5 by Molmil
Unliganded form of bovine beta-lactoglobulin, ambient pressure
分子名称: Beta-lactoglobulin, CHLORIDE ION
著者Kurpiewska, K, Biela, A.
登録日2016-03-08
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Investigation of high pressure effect on the structure and adsorption of beta-lactoglobulin.
Colloids Surf B Biointerfaces, 161, 2017
5TYQ
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BU of 5tyq by Molmil
Crystal structure of a holoenzyme methyltransferase involved in the biosynthesis of gentamicin
分子名称: MAGNESIUM ION, Putative gentamicin methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Bury, P, Huang, F, Leadlay, P, Dias, M.V.B.
登録日2016-11-21
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.163 Å)
主引用文献Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis.
ACS Chem. Biol., 12, 2017
5U0N
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Crystal structure of a methyltransferase in complex with the substrate involved in the biosynthesis of gentamicin
分子名称: (1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, MAGNESIUM ION, Putative gentamicin methyltransferase, ...
著者Bury, P, Huang, F, Li, S, Sun, Y, Leadlay, P, Dias, M.V.B.
登録日2016-11-25
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.115 Å)
主引用文献Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis.
ACS Chem. Biol., 12, 2017
7SGO
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Crystal structure of periplasmic domain of Helicobacter pylori FliL (residues 81 to 183) (crystal form B)
分子名称: Flagellar protein FliL
著者Chan, K.L, Peterson, B, Khan, M.F, Roujeinikova, A.
登録日2021-10-06
公開日2022-03-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献The flagellar motor protein FliL forms a scaffold of circumferentially positioned rings required for stator activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
5KLC
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Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome
分子名称: Carbohydrate binding module E1
著者Liberato, M.V, Campos, B.M, Zeri, A.C.M, Squina, F.M.
登録日2016-06-24
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献A Novel Carbohydrate-binding Module from Sugar Cane Soil Metagenome Featuring Unique Structural and Carbohydrate Affinity Properties.
J.Biol.Chem., 291, 2016
8EGQ
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Branched chain ketoacid dehydrogenase kinase complexes
分子名称: (2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ...
著者Liu, S.
登録日2022-09-13
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.955 Å)
主引用文献Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
5VIC
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BU of 5vic by Molmil
Crystal structure of anti-Zika antibody Z004 bound to DENV-1 Envelope protein DIII
分子名称: Dengue 1 Envelope DIII domain, Fab heavy chain, Fab light chain
著者Keeffe, J.R, West Jr, A.P, Gristick, H.B, Bjorkman, P.J.
登録日2017-04-14
公開日2017-05-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Recurrent Potent Human Neutralizing Antibodies to Zika Virus in Brazil and Mexico.
Cell, 169, 2017
5U4T
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Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, Putative gentamicin methyltransferase, ...
著者Bury, P, Huang, F, Leadlay, P, Dias, M.V.B.
登録日2016-12-06
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.086 Å)
主引用文献Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis.
ACS Chem. Biol., 12, 2017
7EPC
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Cryo-EM structure of inactive mGlu7 homodimer
分子名称: Isoform 3 of Metabotropic glutamate receptor 7
著者Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q.
登録日2021-04-26
公開日2021-06-23
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
7EPE
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Crystal structure of mGlu2 bound to NAM563
分子名称: 4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide, FLAVIN MONONUCLEOTIDE, Metabotropic glutamate receptor 2
著者Du, J, Wang, D, Lin, S, Han, S, Wu, B, Zhao, Q.
登録日2021-04-26
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021

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