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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
5MS3
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Kallikrein-related peptidase 8 calcium complex
分子名称: CALCIUM ION, Kallikrein-8
著者Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P.
登録日2016-12-30
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Specificity profiles and antagonistic Ca2+ and Zn2+ regulation of human KLK8/neuropsin activity by modules identified in crystal structures
To Be Published
6RZM
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BU of 6rzm by Molmil
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
7CU0
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BU of 7cu0 by Molmil
Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan
分子名称: TRYPTOPHAN, Tryptophan 6-halogenase
著者Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P.
登録日2020-08-20
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Dissecting the low catalytic capability of flavin-dependent halogenases.
J.Biol.Chem., 296, 2020
5MVH
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Glycoside Hydrolase BACCELL_00856
分子名称: BACCELL_00856
著者Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J.
登録日2017-01-16
公開日2017-04-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Unusual active site location and catalytic apparatus in a glycoside hydrolase family.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6RZY
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BU of 6rzy by Molmil
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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BU of 6s00 by Molmil
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
7CDJ
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BU of 7cdj by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1A3 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R.
登録日2020-06-19
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.396 Å)
主引用文献Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
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
5MVX
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Human DLL4 C2-EGF3
分子名称: Delta-like protein 4, alpha-L-fucopyranose
著者Suckling, R.J, Handford, P.A, Lea, S.M.
登録日2017-01-17
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
6RFV
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BU of 6rfv by Molmil
Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 7
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Response regulator, ...
著者Mideros-Mora, C, Casino, P, Marina, A.
登録日2019-04-16
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases.
Nat Commun, 11, 2020
5MW2
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BU of 5mw2 by Molmil
CRYSTAL STRUCTURE OF BCL-6 BTB-domain with BI-3802
分子名称: 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide, B-cell lymphoma 6 protein
著者Bader, G, Flotzinger, G, Weiss-Puxbaum, A, Zoephel, A.
登録日2017-01-18
公開日2017-10-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6.
Cell Rep, 20, 2017
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
5MW7
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BU of 5mw7 by Molmil
Human Jagged2 C2-EGF3
分子名称: Protein jagged-2, alpha-L-fucopyranose
著者Suckling, R.J, Handford, P.A, Lea, S.M.
登録日2017-01-18
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
5MT8
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BU of 5mt8 by Molmil
Structure of E.coli GlpG in complex with peptide derived inhibitor Ac-RVRHA-cmk
分子名称: ACE-ARG-VAL-ARG-HIS-ALA-0QE, CHLORIDE ION, Rhomboid protease GlpG, ...
著者Vinothkumar, K.R.
登録日2017-01-06
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases.
Cell Chem Biol, 24, 2017
5MWB
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BU of 5mwb by Molmil
Human Notch-2 EGF11-13
分子名称: CALCIUM ION, Neurogenic locus notch homolog protein 2, alpha-L-fucopyranose, ...
著者Suckling, R.J, Handford, P.A, Lea, S.M.
登録日2017-01-18
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
6RIM
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BU of 6rim by Molmil
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
5MWH
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BU of 5mwh by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ089
分子名称: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
著者Zhu, J, Caflisch, A.
登録日2017-01-18
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
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
5MX9
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High resolution crystal structure of the MCR-2 catalytic domain
分子名称: GLYCEROL, Phosphatidylethanolamine transferase Mcr-2, ZINC ION
著者Hinchliffe, P, Coates, K, Walsh, T.R, Spencer, J.
登録日2017-01-22
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献1.12 angstrom resolution crystal structure of the catalytic domain of the plasmid-mediated colistin resistance determinant MCR-2.
Acta Crystallogr F Struct Biol Commun, 73, 2017
7C6A
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BU of 7c6a by Molmil
Crystal structure of AT2R-BRIL and SRP2070_Fab complex
分子名称: IgG Light Chain, IgG heavy chain, SAR1, ...
著者Suzuki, M, Miyagi, H, Asada, H, Yasunaga, M, Suno, C, Takahashi, Y, Saito, J, Iwata, S.
登録日2020-05-21
公開日2020-07-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The discovery of a new antibody for BRIL-fused GPCR structure determination.
Sci Rep, 10, 2020
5MXJ
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Structure of the Y108F mutant of vanillyl alcohol oxidase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Vanillyl-alcohol oxidase
著者Ewing, T.A, Nguyen, Q.-T, Allan, R.C, Gygli, G, Romero, E, Binda, C, Fraaije, M.W, Mattevi, A, van Berkel, W.J.H.
登録日2017-01-23
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Two tyrosine residues, Tyr-108 and Tyr-503, are responsible for the deprotonation of phenolic substrates in vanillyl-alcohol oxidase.
J. Biol. Chem., 292, 2017
6S2X
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BU of 6s2x by Molmil
Crystal structure of the Legionella pneumophila ChiA C-terminal domain
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ChiA
著者Garnett, J.A, Shaw, R.
登録日2019-06-23
公開日2020-04-22
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure and functional analysis of the Legionella pneumophila chitinase ChiA reveals a novel mechanism of metal-dependent mucin degradation.
Plos Pathog., 16, 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
6S3H
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Crystal structure of helicase Pif1 from Thermus oshimai in complex with ADP-AlF4 and (dT)7ds11bp
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ...
著者Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G.
登録日2019-06-25
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition.
Nucleic Acids Res., 49, 2021

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件を2024-08-28に公開中

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