8VKL
 
 | | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (conformation 2) | | 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 | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | | 登録日 | 2024-01-09 | | 公開日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (2.91 Å) | | 主引用文献 | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition
To Be Published
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4RVM
 | | CHK1 kinase domain with diazacarbazole compound 19 | | 分子名称: | 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | | 著者 | Gazzard, L, Blackwood, E, Burton, B, Chapman, K, Chen, H, Crackett, P, Drobnick, J, Ellwood, C, Epler, J, Flagella, M, Goodacre, S, Halladay, J, Hunt, H, Kintz, S, Lyssikatos, J, MacLeod, C, Ramiscal, S, Schmidt, S, Seward, E, Wiesmann, C, Williams, K, Wu, P, Yee, S, Yen, I, Malek, S. | | 登録日 | 2014-11-26 | | 公開日 | 2015-06-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
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8PTQ
 | | COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5l | | 分子名称: | 1,2-ETHANEDIOL, Monoglyceride lipase, methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate | | 著者 | Butini, S, Grether, U, Benz, J, Leibrock, L, Maramai, S, Papa, A, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G. | | 登録日 | 2023-07-14 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.
J.Med.Chem., 67, 2024
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8PTR
 | | COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5r | | 分子名称: | (3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one, 1,2-ETHANEDIOL, Monoglyceride lipase | | 著者 | Butini, S, Benz, J, Grether, U, Leibrock, L, Papa, A, Maramai, S, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G. | | 登録日 | 2023-07-14 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.
J.Med.Chem., 67, 2024
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8PTC
 | | COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5d | | 分子名称: | 1,2-ETHANEDIOL, 4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde, Monoglyceride lipase | | 著者 | Butini, S, Benz, J, Grether, U, Leibrock, L, Papa, A, Maramai, S, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G. | | 登録日 | 2023-07-14 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.
J.Med.Chem., 67, 2024
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5JYO
 | | Allosteric inhibition of Kidney Isoform of Glutaminase | | 分子名称: | 2-(pyridin-2-yl)-N-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial | | 著者 | Sivaraman, J, Jayaraman, S. | | 登録日 | 2016-05-15 | | 公開日 | 2016-08-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | | 主引用文献 | Structural basis for exploring the allosteric inhibition of human kidney type glutaminase.
Oncotarget, 7, 2016
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5IA4
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with foretinib (XL880) | | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | 登録日 | 2016-02-21 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.797 Å) | | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
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5I9U
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase | | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2 | | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | 登録日 | 2016-02-21 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.889 Å) | | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
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7O2Y
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7O3K
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6NTA
 | | Modified ASL proline bound to Thermus thermophilus 70S (cognate) | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Hoffer, E.D, Maehigashi, T, Subaramanian, S, Hong, S, Dunham, C.M. | | 登録日 | 2019-01-28 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural insights into mRNA reading frame regulation by tRNA modification and slippery codon-anticodon pairing.
Elife, 9, 2020
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6O0X
 | | Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium | | 分子名称: | 3' product of target strand DNA, 5' product of target strand DNA, CRISPR-associated endonuclease Cas9/Csn1, ... | | 著者 | Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S. | | 登録日 | 2019-02-17 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | | 主引用文献 | Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9.
Nat.Struct.Mol.Biol., 26, 2019
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6NUO
 | | Modified tRNA(Pro) bound to Thermus thermophilus 70S (cognate) | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Hoffer, E.D, Subaramanian, S, Hong, S, Maehigashi, T, Dunham, C.M. | | 登録日 | 2019-02-01 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural insights into mRNA reading frame regulation by tRNA modification and slippery codon-anticodon pairing.
Elife, 9, 2020
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6NWY
 | | Modified tRNA(Pro) bound to Thermus thermophilus 70S (near-cognate) | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Hoffer, E.D, Subaramanian, S, Hong, S, Maehigashi, T, Dunham, C.M. | | 登録日 | 2019-02-07 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Structural insights into mRNA reading frame regulation by tRNA modification and slippery codon-anticodon pairing.
Elife, 9, 2020
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6O0Y
 | | Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium | | 分子名称: | 3' product of target strand DNA, 5' product of target strand DNA, CRISPR-associated endonuclease Cas9/Csn1, ... | | 著者 | Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S. | | 登録日 | 2019-02-17 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | | 主引用文献 | Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9.
Nat.Struct.Mol.Biol., 26, 2019
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6O3M
 | | Unmodified tRNA(Pro) bound to Thermus thermophilus 70S (cognate) | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Hoffer, E.D, Subaramanian, S, Hong, S, Maehigashi, T, Dunham, C.M. | | 登録日 | 2019-02-26 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.97 Å) | | 主引用文献 | Structural insights into mRNA reading frame regulation by tRNA modification and slippery codon-anticodon pairing.
Elife, 9, 2020
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6O0Z
 | | Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium | | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, non-target strand DNA, single guide RNA, ... | | 著者 | Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S. | | 登録日 | 2019-02-17 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9.
Nat.Struct.Mol.Biol., 26, 2019
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6NSH
 | | Modified ASL proline bound to Thermus thermophilus 70S (near-cognate) | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Hoffer, E.D, Maehigashi, T, Subaramanian, S, Hong, S, Dunham, C.M. | | 登録日 | 2019-01-24 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.397 Å) | | 主引用文献 | Structural insights into mRNA reading frame regulation by tRNA modification and slippery codon-anticodon pairing.
Elife, 9, 2020
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5IA2
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with compound 66 | | 分子名称: | 1,2-ETHANEDIOL, 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, Ephrin type-A receptor 2 | | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | 登録日 | 2016-02-21 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.619 Å) | | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
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5KZK
 | | Crystal Structure of rRNA methyltransferase from Sinorhizobium meliloti | | 分子名称: | COBALT (II) ION, Probable RNA methyltransferase, TrmH family, ... | | 著者 | Dey, D, Hegde, R.P, Almo, S.C, Ramakumar, S, Ramagopal, U.A, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2016-07-25 | | 公開日 | 2017-08-02 | | 最終更新日 | 2019-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Crystal Structure of rRNA methyltransferase from Sinorhizobium meliloti
To Be Published
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5IA0
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237) | | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, alisertib | | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | 登録日 | 2016-02-21 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.948 Å) | | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
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6W5D
 | | Crystal Structure of Fab RSB1 | | 分子名称: | RSB1 Fab Heavy Chain, RSB1 Fab Light Chain | | 著者 | Harshbarger, W, Chandramouli, S, Malito, M. | | 登録日 | 2020-03-13 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Convergent structural features of respiratory syncytial virus neutralizing antibodies and plasticity of the site V epitope on prefusion F.
Plos Pathog., 16, 2020
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6W52
 | | Prefusion RSV F bound by neutralizing antibody RSB1 | | 分子名称: | Fusion glycoprotein F0, Fusion glycoprotein F1 fused with Fibritin trimerization domain, RSB1 Fab Heavy Chain, ... | | 著者 | Harshbarger, W, Chandramouli, S, Malito, M. | | 登録日 | 2020-03-12 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.74 Å) | | 主引用文献 | Convergent structural features of respiratory syncytial virus neutralizing antibodies and plasticity of the site V epitope on prefusion F.
Plos Pathog., 16, 2020
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5L0Z
 | | Crystal Structure of AdoMet bound rRNA methyltransferase from Sinorhizobium meliloti | | 分子名称: | COBALT (II) ION, Probable RNA methyltransferase, TrmH family, ... | | 著者 | Dey, D, Hegde, R.P, Almo, S.C, Ramakumar, S, Ramagopal, U.A. | | 登録日 | 2016-07-28 | | 公開日 | 2017-08-02 | | 最終更新日 | 2019-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal Structure of AdoMet bound rRNA methyltransferase from Sinorhizobium meliloti
To Be Published
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5I9Z
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with danusertib (PHA739358) | | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE | | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | 登録日 | 2016-02-21 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
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