7LFE
 
 | | SARS-CoV-2 Main protease immature form - F2X Entry Library E03 fragment | | 分子名称: | (2R,4R)-1-phenylhexahydropyrimidine-2,4-diol, 3C-like proteinase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. | | 登録日 | 2021-01-16 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
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8AIW
 | | Structure of the K5/CagI complex | | 分子名称: | Cag pathogenicity island protein (Cag19), Designed Ankyrin Repeat Protein K5 | | 著者 | Blanc, M, Guerin, J, Terradot, L. | | 登録日 | 2022-07-27 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Designed Ankyrin Repeat Proteins provide insights into the structure and function of CagI and are potent inhibitors of CagA translocation by the Helicobacter pylori type IV secretion system.
Plos Pathog., 19, 2023
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6QGX
 | | Crystal structure of E.coli BamA beta-barrel in complex with nanobody F7 | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, NanoF7, Outer membrane protein assembly factor BamA | | 著者 | Hartmann, J.-B, Kaur, H, Jakob, R.P, Zahn, M, Zimmermann, I, Seeger, M, Maier, T, Hiller, S. | | 登録日 | 2019-01-14 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Identification of conformation-selective nanobodies against the membrane protein insertase BamA by an integrated structural biology approach.
J.Biomol.Nmr, 73, 2019
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6FTM
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-048 | | 分子名称: | 1,2-ETHANEDIOL, 3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide, FORMIC ACID, ... | | 著者 | Singh, A.K, Brown, D.G. | | 登録日 | 2018-02-22 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-048
To be published
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6C0M
 | | The synthesis, biological evaluation and structural insights of unsaturated 3-N-substituted sialic acids as probes of human parainfluenza virus-3 haemagglutinin-neuraminidase | | 分子名称: | 1,2-ETHANEDIOL, 2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Dirr, L, Ve, T, von Itzstein, M. | | 登録日 | 2018-01-01 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Structural Insights into Human Parainfluenza Virus 3 Hemagglutinin-Neuraminidase Using Unsaturated 3- N-Substituted Sialic Acids as Probes.
ACS Chem. Biol., 13, 2018
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6QH9
 | | Crystal Structure of Human Kallikrein 6 in complex with GSK3239861A | | 分子名称: | (3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide, (3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide, GLYCEROL, ... | | 著者 | Thorpe, J.H. | | 登録日 | 2019-01-16 | | 公開日 | 2019-02-06 | | 最終更新日 | 2019-02-27 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
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6JJU
 | | Structure of Ca2+ ATPase | | 分子名称: | CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | 著者 | Inoue, M, Sakuta, N, Watanabe, S, Inaba, K. | | 登録日 | 2019-02-27 | | 公開日 | 2019-05-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural Basis of Sarco/Endoplasmic Reticulum Ca2+-ATPase 2b Regulation via Transmembrane Helix Interplay.
Cell Rep, 27, 2019
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6G12
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7QLP
 | | Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | 著者 | Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. | | 登録日 | 2021-12-20 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
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6YK0
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6QAF
 | | Crystal structure of human Arginase-1 at pH 9.0 in complex with CB-1158/INCB001158 | | 分子名称: | Arginase-1, MANGANESE (II) ION, SODIUM ION, ... | | 著者 | Grobben, Y, Uitdehaag, J.C.M, Tabak, W.W.A, Zaman, G.J.R. | | 登録日 | 2018-12-19 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Structural insights into human Arginase-1 pH dependence and its inhibition by the small molecule inhibitor CB-1158.
J Struct Biol X, 4, 2020
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6QHJ
 | | High-resolution crystal structure of calcium- and sodium-bound mouse Olfactomedin-1 beta-propeller domain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | 著者 | Pronker, M.F, van den Hoek, H.G, Janssen, B.J.C. | | 登録日 | 2019-01-16 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Design and structural characterisation of olfactomedin-1 variants as tools for functional studies.
BMC Mol Cell Biol, 20, 2019
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6G1B
 | | Corynebacterium glutamicum OxyR, oxidized form | | 分子名称: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, FORMIC ACID, HYDROGEN PEROXIDE, ... | | 著者 | Young, D.R, Pedre, B.P, Messens, J.M. | | 登録日 | 2018-03-21 | | 公開日 | 2018-12-05 | | 最終更新日 | 2018-12-19 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5URT
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7QVS
 | | Pseudomonas aeruginosa nicotinamide adenine dinucleotide kinase (NADK) structure in complex with NADP | | 分子名称: | NAD kinase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION | | 著者 | Rahimova, R, Gelin, M, Labesse, G, Lionne, C. | | 登録日 | 2022-01-23 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-based design, synthesis and biological evaluation of a NAD + analogue targeting Pseudomonas aeruginosa NAD kinase.
Febs J., 290, 2023
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6YL2
 | | Structural and DNA binding studies of the transcriptional repressor Rv2506 (BkaR) from Mycobacterium tuberculosis supports a role in L-Leucine catabolism | | 分子名称: | DNA (5'-D(*AP*CP*GP*TP*TP*AP*AP*TP*GP*AP*CP*GP*AP*TP*TP*AP*AP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*TP*TP*AP*AP*TP*CP*GP*TP*CP*AP*TP*TP*AP*AP*CP*GP*T)-3'), Probable transcriptional regulatory protein (Probably TetR-family) | | 著者 | Keep, N.H, Pritchard, J.E, Sula, A, Cole, A.R, Kendall, S.L. | | 登録日 | 2020-04-06 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Structural and DNA binding studies of the transcriptional repressor Rv2506 (BkaR) from Mycobacterium tuberculosis supports a role in L-Leucine catabolism
To be published
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6QHN
 | | Metagenome-derived salicylaldehyde dehydrogenase from alpine soil in complex with protocatechuic acid | | 分子名称: | 3,4-DIHYDROXYBENZOIC ACID, GLYCEROL, SALICYLALDEHYDE DEHYDROGENASE | | 著者 | Hakansson, M, Svensson, L.A, Shamsudeen, D.U, Allen, C.C.R. | | 登録日 | 2019-01-17 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Expression, purification and crystallization of a novel metagenome-derived salicylaldehyde dehydrogenase from Alpine soil.
Acta Crystallogr.,Sect.F, 78, 2022
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5V80
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6YKG
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7LG7
 | | Crystal structure of CoV-2 Nsp3 Macrodomain complex with PARG345 | | 分子名称: | 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide, Non-structural protein 3, SULFATE ION | | 著者 | Arvai, A, Brosey, C.A, Bommagani, S, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A. | | 登録日 | 2021-01-19 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
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6QAQ
 | | ERK2 mini-fragment binding | | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, thiophen-3-ylmethylazanium | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-19 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6C1C
 | | FGFR1 kinase complex with inhibitor SN37116 | | 分子名称: | 7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1, SULFATE ION | | 著者 | Yosaatmadja, Y, Smaill, J.B, Squire, C.J. | | 登録日 | 2018-01-04 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Understanding the structural requirements for covalent inhibition of FGFR1-3
To Be Published
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8SNQ
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6QIB
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6JQ2
 | | Crystal Structure of H2-Kb in complex with a DPAGT1 self-peptide | | 分子名称: | Beta-2-microglobulin, DPATG1 antigen SIIVFNLV, H-2 class I histocompatibility antigen, ... | | 著者 | Bai, P, Yin, L. | | 登録日 | 2019-03-28 | | 公開日 | 2020-04-01 | | 最終更新日 | 2021-02-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy.
Oncoimmunology, 10, 2021
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