4L5C
 
 | | Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with adenine in space group P212121 | | 分子名称: | ADENINE, GLYCEROL, S-methyl-5'-thioadenosine phosphorylase | | 著者 | Torini, J.R, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | | 登録日 | 2013-06-10 | | 公開日 | 2014-06-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.075 Å) | | 主引用文献 | Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
Plos Negl Trop Dis, 10, 2016
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7OEE
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ019b | | 分子名称: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{S})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | 著者 | Bedi, R.K, Huang, D, Caflisch, A. | | 登録日 | 2021-05-03 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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4L6A
 | | Structure of human mitochondrial 5'(3')-deoxyribonucleotidase | | 分子名称: | 5'(3')-deoxyribonucleotidase, mitochondrial, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Pachl, P, Brynda, J, Rezacova, P. | | 登録日 | 2013-06-12 | | 公開日 | 2014-02-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structures of human cytosolic and mitochondrial nucleotidases: implications for structure-based design of selective inhibitors.
Acta Crystallogr. D Biol. Crystallogr., 70, 2014
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6F4N
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7O67
 | | Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 15 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site | | 分子名称: | CHLORIDE ION, FE (II) ION, Ferritin, ... | | 著者 | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | | 登録日 | 2021-04-09 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
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8RSC
 | | p97 (VCP) mutant - F539A | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | 著者 | Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A. | | 登録日 | 2024-01-24 | | 公開日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | p97 (VCP) mutant - F539A
To Be Published
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6EVJ
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8FWI
 | | Structure of dodecameric KaiC-RS-S413E/S414E solved by cryo-EM | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiC, ... | | 著者 | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | | 登録日 | 2023-01-22 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | From primordial clocks to circadian oscillators.
Nature, 616, 2023
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7O2V
 | | AURORA KINASE A IN COMPLEX WITH THE AUR-A/PDK1 INHIBITOR VI8 | | 分子名称: | 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide, Aurora kinase A | | 著者 | Garau, G. | | 登録日 | 2021-03-31 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
Eur.J.Med.Chem., 226, 2021
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8SV2
 | | Pasteurella multocida alpha2,3/2,6 sialyltransferase D141N bound to CMP | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-2,3/2,6-sialyltransferase/sialidase, CYTIDINE-5'-MONOPHOSPHATE, ... | | 著者 | Stubbs, H.E, Iverson, T.M. | | 登録日 | 2023-05-15 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Pasteurella multocida alpha2,3/2,6 sialyltransferase D141N bound to CMP
To Be Published
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8FWJ
 | | Structure of dodecameric KaiC-RS-S413E/S414E complexed with KaiB-RS solved by cryo-EM | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiB, ... | | 著者 | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | | 登録日 | 2023-01-22 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | From primordial clocks to circadian oscillators.
Nature, 616, 2023
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8FM8
 | | HIV-1 gp120 complex with CJF-IV-046 | | 分子名称: | (pentafluorophenyl)methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | 著者 | Gong, Z, Hendrickson, W.A. | | 登録日 | 2022-12-22 | | 公開日 | 2023-04-05 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7OEI
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ083 | | 分子名称: | (3~{R})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{H}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | 著者 | Bedi, R.K, Huang, D, Caflisch, A. | | 登録日 | 2021-05-03 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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7OED
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ019a | | 分子名称: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | 著者 | Bedi, R.K, Huang, D, Caflisch, A. | | 登録日 | 2021-05-03 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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7OEJ
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4L7C
 | | Structure of keap1 kelch domain with 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione | | 分子名称: | 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione, ACETATE ION, Kelch-like ECH-associated protein 1 | | 著者 | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | | 登録日 | 2013-06-13 | | 公開日 | 2014-02-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
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7OEH
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7OEG
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7OEM
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ120 | | 分子名称: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, MAGNESIUM ION, ... | | 著者 | Bedi, R.K, Huang, D, Caflisch, A. | | 登録日 | 2021-05-03 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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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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8RZ6
 | | SeMet derivative structure of the condensation domain TomBC from the Tomaymycin non-ribosomal peptide synthetase | | 分子名称: | FORMIC ACID, GLYCEROL, POTASSIUM ION, ... | | 著者 | Karanth, M, Schmelz, S, Kirkpatrick, J, Krausze, J, Scrima, A, Carlomagno, T. | | 登録日 | 2024-02-12 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain.
Sci Adv, 10, 2024
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7OBN
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8RT5
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8FOZ
 | | Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; filament assembly interface reconstruction | | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | O'Neill, A.G, Kollman, J.M. | | 登録日 | 2023-01-03 | | 公開日 | 2023-04-19 | | 最終更新日 | 2023-08-09 | | 実験手法 | ELECTRON MICROSCOPY (2 Å) | | 主引用文献 | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
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4LDZ
 | | Crystal structure of the full-length response regulator DesR in the active state | | 分子名称: | BERYLLIUM TRIFLUORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Trajtenberg, F, Larrieux, N, Buschiazzo, A. | | 登録日 | 2013-06-25 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Allosteric activation of bacterial response regulators: the role of the cognate histidine kinase beyond phosphorylation.
MBio, 5, 2014
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