7NWK
 
 | | Crystal structure of CDK9-Cyclin T1 bound by compound 6 | | 分子名称: | Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide | | 著者 | Collie, G.W, Ferguson, A.D. | | 登録日 | 2021-03-16 | | 公開日 | 2021-10-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement.
J.Med.Chem., 64, 2021
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8AMO
 | | Crystal structure of M. tuberculosis CYP143 | | 分子名称: | CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Bukhdruker, S, Varaksa, T, Grudo, A, Marin, E, Kapranov, I, Shevtsov, M, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2022-08-03 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
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8JJE
 | | RBD of SARS-CoV2 spike protein with ACE2 decoy | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | 著者 | Kishikawa, J, Hirose, M, Kato, T, Okamoto, T. | | 登録日 | 2023-05-30 | | 公開日 | 2023-12-27 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | An inhaled ACE2 decoy confers protection against SARS-CoV-2 infection in preclinical models.
Sci Transl Med, 15, 2023
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8AMQ
 | | Crystal structure of the complex CYP143-FdxE from M. tuberculosis | | 分子名称: | FE3-S4 CLUSTER, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Bukhdruker, S, Varaksa, T, Smolskaya, S, Marin, E, Kapranov, I, Kovalev, K, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2022-08-03 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
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6T0K
 | | Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole | | 分子名称: | CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, GLYCEROL, ... | | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2019-10-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
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6T0F
 | | Crystal structure of CYP124 in complex with cholest-4-en-3-one | | 分子名称: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, ... | | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2019-10-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
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6T0L
 | | Crystal structure of CYP124 in complex with inhibitor compound 5' | | 分子名称: | CHLORIDE ION, CYP124 in complex with inhibitor compound 5', DI(HYDROXYETHYL)ETHER, ... | | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2019-10-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
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6T0H
 | | Crystal structure of CYP124 in complex with 1-alpha-hydroxy-vitamin D3 | | 分子名称: | 1-alpha-hydroxy-vitamin D3, CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, ... | | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2019-10-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
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6T0G
 | | Crystal structure of CYP124 in complex with vitamin D3 | | 分子名称: | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, MAGNESIUM ION, Methyl-branched lipid omega-hydroxylase, ... | | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2019-10-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
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5JRF
 | | Crystal structure of the light-driven sodium pump KR2 bound with iodide ions | | 分子名称: | EICOSANE, IODIDE ION, Sodium pumping rhodopsin | | 著者 | Melnikov, I, Polovinkin, V, Kovalev, K, Shevchenko, V, Gushchin, I, Popov, A, Gordeliy, V. | | 登録日 | 2016-05-06 | | 公開日 | 2017-05-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
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5JTB
 | | Crystal structure of the chimeric protein of A2aAR-BRIL with bound iodide ions | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | 著者 | Melnikov, I, Polovinkin, V, Shevtsov, M, Borshchevskiy, V, Cherezov, V, Popov, A, Gordeliy, V. | | 登録日 | 2016-05-09 | | 公開日 | 2017-05-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
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5JGP
 | | Crystal structure of the nitrate/nitrite sensor NarQ fragment bound with iodide ions | | 分子名称: | IODIDE ION, NITRATE ION, Nitrate/nitrite sensor protein NarQ | | 著者 | Melnikov, I, Polovinkin, V, Popov, A, Gordeliy, V. | | 登録日 | 2016-04-20 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
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6FH5
 | | PI3Kg IN COMPLEX WITH Compound 7 | | 分子名称: | 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | 著者 | Petersen, J, Barlaam, B. | | 登録日 | 2018-01-12 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Discovery and Optimisation of a Novel Series of 3-Cinnoline Carboxamides as Orally Bioavailable, Highly Potent and Selective Ataxia Telangiectasia Mutated (ATM) inhibitors
To Be Published
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5JSI
 | | Structure of membrane protein | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin, EICOSANE, ... | | 著者 | Melnikov, I, Polovinkin, V, Kovalev, K, Shevchenko, V, Gushchin, I, Popov, A, Gordeliy, V. | | 登録日 | 2016-05-08 | | 公開日 | 2017-05-31 | | 最終更新日 | 2023-03-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
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6Z45
 | | CDK9-Cyclin-T1 complex bound by compound 24 | | 分子名称: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ... | | 著者 | Ferguson, A, Collie, G.W. | | 登録日 | 2020-05-22 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.37 Å) | | 主引用文献 | Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
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6RHF
 | | Structure of Chloroflexus aggregans Cagg_3753 LOV domain C85A variant (CagFbFP) | | 分子名称: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase | | 著者 | Nazarenko, V.V, Remeeva, A, Yudenko, A, Kovalev, K, Gordeliy, V, Gushchin, I. | | 登録日 | 2019-04-19 | | 公開日 | 2019-05-15 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | A thermostable flavin-based fluorescent protein from Chloroflexus aggregans: a framework for ultra-high resolution structural studies.
Photochem. Photobiol. Sci., 18, 2019
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6RHG
 | | Structure of Chloroflexus aggregans Cagg_3753 LOV domain | | 分子名称: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase | | 著者 | Nazarenko, V.V, Remeeva, A, Yudenko, A, Kovalev, K, Gordeliy, V, Gushchin, I. | | 登録日 | 2019-04-19 | | 公開日 | 2019-05-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | A thermostable flavin-based fluorescent protein from Chloroflexus aggregans: a framework for ultra-high resolution structural studies.
Photochem. Photobiol. Sci., 18, 2019
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8K5H
 | | Structure of the SARS-CoV-2 BA.1 spike with UT28-RD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | 著者 | Chen, L, Kita, S, Anraku, Y, Maenaka, K. | | 登録日 | 2023-07-21 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | | 主引用文献 | Rational in silico design identifies two mutations that restore UT28K SARS-CoV-2 monoclonal antibody activity against Omicron BA.1.
Structure, 32, 2024
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8K5G
 | | Structure of the SARS-CoV-2 BA.1 RBD with UT28-RD | | 分子名称: | Spike protein S1, UT28K-RD Fab Heavy chain, UT28K-RD Fab Light chain | | 著者 | Chen, L, Kita, S, Anraku, Y, Maenaka, K. | | 登録日 | 2023-07-21 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.41 Å) | | 主引用文献 | Rational in silico design identifies two mutations that restore UT28K SARS-CoV-2 monoclonal antibody activity against Omicron BA.1.
Structure, 32, 2024
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8F88
 | | Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with monophosphorylated JAK2 activation loop phosphopeptide | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein kinase JAK2, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Morris, R, Kershaw, N.J, Babon, J.J. | | 登録日 | 2022-11-21 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
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2YZT
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8IMD
 | | Crystal structure of Cu/Zn Superoxide dismutase from Paenibacillus lautus | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, Cu/Zn-Superoxide dismutase, ... | | 著者 | Narikiyo, S, Furukawa, Y, Akutsu, M. | | 登録日 | 2023-03-06 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Characterization of a novel cysteine-less Cu/Zn-superoxide dismutase in Paenibacillus lautus missing a conserved disulfide bond.
J.Biol.Chem., 299, 2023
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8EXI
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8EXJ
 | | Crystal structure of PTP1B D181A/Q262A phosphatase domain in complex with a JAK1 activation loop phosphopeptide | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Tyrosine-protein kinase JAK1 activation loop peptide, ... | | 著者 | Morris, R, Kershaw, N.J, Babon, J.J. | | 登録日 | 2022-10-25 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | | 主引用文献 | Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
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8EXM
 | | Crystal structure of PTP1B D181A/Q262A phosphatase domain with a JAK3 activation loop phosphopeptide | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Tyrosine-protein kinase JAK3 activation loop peptide, ... | | 著者 | Morris, R, Kershaw, N.J, Babon, J.J. | | 登録日 | 2022-10-25 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.349 Å) | | 主引用文献 | Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
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