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6RMV
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The crystal structure of a TRP channel peptide bound to a G protein beta gamma heterodimer
分子名称: GLYCEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Gruss, F, Oberwinkler, J, Ulens, C.
登録日2019-05-07
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The structural basis for an on-off switch controlling G beta gamma-mediated inhibition of TRPM3 channels.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RGD
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Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2019-04-16
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6RIM
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Crystal structure of the catalytic domain of the Weissela oryzae botulinum like toxin
分子名称: CALCIUM ION, Putative botulinum-like toxin Wo, ZINC ION
著者Kosenina, S, Masuyer, G, Stenmark, P.
登録日2019-04-24
公開日2019-05-29
最終更新日2019-08-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the catalytic domain of the Weissella oryzae botulinum-like toxin.
Febs Lett., 593, 2019
6ROU
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REP related 18-mer DNA
分子名称: REP related 18-mer DNA from H. parasuis, STRONTIUM ION
著者Kolenko, P, Svoboda, J, Schneider, B.
登録日2019-05-13
公開日2020-07-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
6ROZ
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Structure of the N-SH2 domain of the human tyrosine-protein phosphatase non-receptor type 11 in complex with the phosphorylated immune receptor tyrosine-based switch motif
分子名称: Tyrosine-protein phosphatase non-receptor type 11, immune receptor tyrosine-based switch motif (ITSM)
著者Krausze, J, Sikorska, J, Carlomagno, T.
登録日2019-05-13
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Molecular mechanism of SHP2 activation by PD-1 stimulation.
Sci Adv, 6, 2020
6RKG
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1.32 A RESOLUTION OF SPOROSARCINA PASTEURII UREASE INHIBITED IN THE PRESENCE OF NBPTO AT pH 7.5
分子名称: 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Benini, S, Ciurli, S.
登録日2019-04-30
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献The Impact of pH on Catalytically Critical Protein Conformational Changes: The Case of the Urease, a Nickel Enzyme.
Chemistry, 25, 2019
6RQ4
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Inhibitor of ERK2
分子名称: 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2019-05-15
公開日2019-12-04
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Dual-Mechanism ERK1/2 Inhibitors Exploit a Distinct Binding Mode to Block Phosphorylation and Nuclear Accumulation of ERK1/2.
Mol.Cancer Ther., 19, 2020
6RM2
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Deoxyguanylosuccinate synthase (DgsS) structure with ATP, IMP, Magnesium
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, INOSINIC ACID, ...
著者Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A.
登録日2019-05-04
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, IMP, Magnesium at 2.5 Angstrom resolution
To Be Published
6RQZ
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GOLGI ALPHA-MANNOSIDASE II complex with Manno-epi-cyclophellitol aziridine
分子名称: (1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
著者Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, Debets, M, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-16
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
6RRW
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GOLGI ALPHA-MANNOSIDASE II in complex with (2R,3R,4R,5S)-1-(5-{[4-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)benzyl]oxy}pentyl)-2-(hydroxymethyl)-3,4,5-piperidinetriol
分子名称: (2~{R},3~{R},4~{R},5~{S})-1-[5-[[4-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, Alpha-mannosidase 2, ZINC ION
著者Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-20
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
6RSD
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BU of 6rsd by Molmil
Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
分子名称: 1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
著者Brown, D.G, Lupardus, P.J.
登録日2019-05-21
公開日2020-07-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
To Be Published
6RTQ
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BU of 6rtq by Molmil
Hoefavidin P61C mutant generates a stabilized octamer
分子名称: Hoefavidin
著者Livnah, O, Avraham, O.
登録日2019-05-26
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Generating a High Valency Biotin Binder by Selecting Uniform Protein Assemblies via Crystallization
Crystals, 2019
6RTP
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THE 3D STRUCTURE OF [NIFESE] HYDROGENASE G50T VaRIANT FROM DESULFOVIBRIO VULGARIS HILDENBOROUGH AT 1.10 ANGSTROM RESOLUTION
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ...
著者Matias, P.M, Zacarias, S, Pereita, I.
登録日2019-05-24
公開日2019-09-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献A Hydrophilic Channel Is Involved in Oxidative Inactivation of a [NiFeSe] Hydrogenase
Acs Catalysis, 2019
6RX9
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BU of 6rx9 by Molmil
Crystal structure of TetR from Acinetobacter baumannii AYE
分子名称: SULFATE ION, Tetracycline repressor protein class G
著者Tam, H.K, Sumyk, M, Pos, K.M.
登録日2019-06-07
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Binding of Tetracyclines to Acinetobacter baumannii TetR Involves Two Arginines as Specificity Determinants
Front Microbiol, 2021
6RY2
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Crystal structure of Dfg5 from Chaetomium thermophilum in complex with alpha-1,2-mannobiose
分子名称: ACETATE ION, CALCIUM ION, Mannan endo-1,6-alpha-mannosidase, ...
著者Essen, L.-O, Vogt, M.S.
登録日2019-06-10
公開日2020-08-12
最終更新日2020-09-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural base for the transfer of GPI-anchored glycoproteins into fungal cell walls.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RZE
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BU of 6rze by Molmil
Crystal structure of E. coli Adenylate kinase R119A mutant
分子名称: Adenylate kinase, CHLORIDE ION, SODIUM ION
著者Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
登録日2019-06-13
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Nucleation of an Activating Conformational Change by a Cation-pi Interaction.
Biochemistry, 58, 2019
6RZI
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Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:1(Hydrogen)
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION
著者Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.095 Å)
主引用文献Thermodynamic studies of halogen-bond interactions in galectin-3
to be published
6RZJ
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Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:2(Fluorine)
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION
著者Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.097 Å)
主引用文献Thermodynamic studies of halogen-bond interactions in galectin-3
to be published
6RZM
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Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:5(Iodine)
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.345 Å)
主引用文献Thermodynamic studies of halogen-bond interactions in galectin-3
to be published
6RZY
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Plasmodium falciparum PFA0660w Hsp40 co-chaperone J-domain
分子名称: Heat shock protein 40, type II
著者Vakonakis, I, Day, J.
登録日2019-06-13
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.379 Å)
主引用文献ThePlasmodium falciparumHsp70-x chaperone assists the heat stress response of the malaria parasite.
Faseb J., 33, 2019
6S00
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Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-acetylneuraminic acid
分子名称: GLYCEROL, N-acetyl-beta-neuraminic acid, TETRAETHYLENE GLYCOL, ...
著者Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J.
登録日2019-06-13
公開日2019-11-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action.
Nat Commun, 10, 2019
6S0E
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Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-Acetyl-2,3-dehydro-2-deoxyneuraminic acid
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, ACETATE ION, ...
著者Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J.
登録日2019-06-14
公開日2019-11-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action.
Nat Commun, 10, 2019
7Z2J
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White Bream virus N7-Methyltransferase
分子名称: Non-structural protein 1, S-ADENOSYL-L-HOMOCYSTEINE
著者Shannon, A, Gauffre, P, Canard, B, Ferron, F.
登録日2022-02-28
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.657 Å)
主引用文献A second type of N7-guanine RNA cap methyltransferase in an unusual locus of a large RNA virus genome.
Nucleic Acids Res., 50, 2022
7RYX
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S. CEREVISIAE CYP51 COMPLEXED WITH VT-1129
分子名称: (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Ruma, Y.N, Sagatova, A, Keniya, M.V, Tyndall, J.D, Monk, B.C.
登録日2021-08-26
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Characterisation of Candida parapsilosis CYP51 as a Drug Target Using Saccharomyces cerevisiae as Host.
J Fungi, 8, 2022
7S4B
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Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724963
分子名称: (2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide, 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-09-08
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Acs Pharmacol Transl Sci, 5, 2022

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