7XE6
 
 | | T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, pH7 | | 分子名称: | Endolysin, GLYCEROL, HEXANE-1,6-DIOL, ... | | 著者 | Tamada, T, Hiromoto, T. | | 登録日 | 2022-03-30 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions.
Front Mol Biosci, 9, 2022
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6GBX
 | | Crystal structure of human glutaminyl cyclase variant Y115E-Y117E in complex with SEN177 | | 分子名称: | 1,2-ETHANEDIOL, 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine, Glutaminyl-peptide cyclotransferase, ... | | 著者 | Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S. | | 登録日 | 2018-04-16 | | 公開日 | 2018-09-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | The structure of the human glutaminyl cyclase-SEN177 complex indicates routes for developing new potent inhibitors as possible agents for the treatment of neurological disorders.
J. Biol. Inorg. Chem., 23, 2018
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7XE5
 | | T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, pH4 | | 分子名称: | Endolysin, GLYCEROL, HEXANE-1,6-DIOL, ... | | 著者 | Tamada, T, Hiromoto, T. | | 登録日 | 2022-03-30 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions.
Front Mol Biosci, 9, 2022
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6RZX
 | | Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA | | 分子名称: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Kugler, M, Brynda, J, Rezacova, P. | | 登録日 | 2019-06-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
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5VPO
 | | The 70S P-site ASL SufA6 complex | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Hong, S, Sunita, S, Dunkle, J.A, Maehigashi, T, Dunham, C.M. | | 登録日 | 2017-05-05 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (3.34 Å) | | 主引用文献 | Mechanism of tRNA-mediated +1 ribosomal frameshifting.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7CRU
 | | hnRNPK NLS in complex with Importin alpha 1 (KPNA2) | | 分子名称: | ACETATE ION, GLYCEROL, Heterogeneous nuclear ribonucleoprotein K, ... | | 著者 | Yao, J, Sun, Q. | | 登録日 | 2020-08-14 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Nuclear import receptors and hnRNPK mediates nuclear import and stress granule localization of SIRLOIN.
Cell.Mol.Life Sci., 78, 2021
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7NQ7
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (S)-N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(1-phenylethoxy)benzamide | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide | | 著者 | Chung, C. | | 登録日 | 2021-03-01 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Template-Hopping Approach Leads to Potent, Selective, and Highly Soluble Bromo and Extraterminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
J.Med.Chem., 64, 2021
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4YIK
 | | Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU | | 分子名称: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'(3')-deoxyribonucleotidase, ... | | 著者 | Pachl, P, Rezacova, P, Brynda, J. | | 登録日 | 2015-03-02 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.483 Å) | | 主引用文献 | Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor
Medchemcomm, 6, 2015
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6FYR
 | | X-RAY STRUCTURE OF CLK3-KD(GP-[275-632], NON-PHOS.)/Cpd-2 AT 1.42A | | 分子名称: | 6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide, Dual specificity protein kinase CLK3 | | 著者 | Kallen, J. | | 登録日 | 2018-03-12 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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6ID1
 | | Cryo-EM structure of a human intron lariat spliceosome after Prp43 loaded (ILS2 complex) at 2.9 angstrom resolution | | 分子名称: | 116 kDa U5 small nuclear ribonucleoprotein component, CWF19-like protein 2, Cell division cycle 5-like protein, ... | | 著者 | Zhang, X, Zhan, X, Yan, C, Shi, Y. | | 登録日 | 2018-09-07 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | | 主引用文献 | Structures of the human spliceosomes before and after release of the ligated exon.
Cell Res., 29, 2019
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4YRO
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5VJ6
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7NQJ
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-ethyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Chung, C. | | 登録日 | 2021-03-01 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.734 Å) | | 主引用文献 | Template-Hopping Approach Leads to Potent, Selective, and Highly Soluble Bromo and Extraterminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
J.Med.Chem., 64, 2021
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7XTW
 | | The structure of IsPETase in complex with MHET | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, GLYCEROL, ... | | 著者 | Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | 登録日 | 2022-05-18 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
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6E0I
 | | Crystal structure of Glucokinase in complex with compound 72 | | 分子名称: | 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one, DIMETHYL SULFOXIDE, Glucokinase, ... | | 著者 | Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D. | | 登録日 | 2018-07-06 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator.
Bioorg.Med.Chem., 28, 2020
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5C08
 | | 1E6 TCR in Complex with HLA-A0e carrying RQWGPDPAAV | | 分子名称: | 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... | | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | | 登録日 | 2015-06-12 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.332 Å) | | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
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7KCO
 | | ROR gamma in complex with SCR2 and compound 3 | | 分子名称: | 1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide, GLYCEROL, Nuclear receptor ROR-gamma, ... | | 著者 | Durbin, J.D, Guo, S.Y, Stout, S.L, Clawson, D.K. | | 登録日 | 2020-10-06 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Defining Target Engagement Required for Efficacy In Vivo at the Retinoic Acid Receptor-Related Orphan Receptor C2 (ROR gamma t).
J.Med.Chem., 64, 2021
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4YVE
 | | ROCK 1 bound to methoxyphenyl thiazole inhibitor | | 分子名称: | 2-(3-methoxyphenyl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide, Rho-associated protein kinase 1 | | 著者 | Jacobs, M.D. | | 登録日 | 2015-03-19 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
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4YRL
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5C3H
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 1 | | 分子名称: | 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | 登録日 | 2015-06-17 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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9EVU
 | | HEN EGG-WHITE Lysozyme incubated at 99% relative humidity | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | 著者 | Reinke, P.Y.A, Guenther, S, Falke, S, Galchenkova, M, Rahmani Mashhour, A, Creon, A, Lieske, J, Ewert, W, Rorigues, A.C, Thekku Veedu, S, Fischer, P, Meents, A. | | 登録日 | 2024-04-02 | | 公開日 | 2025-10-15 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Exploring the conformational space of proteins by systematic variation of the relative humidity
To Be Published
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7XFG
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7DZ1
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6CYC
 | | PDE2 in complex with compound 5 | | 分子名称: | 1,2-ETHANEDIOL, 3-(hydroxymethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, MAGNESIUM ION, ... | | 著者 | Lu, J. | | 登録日 | 2018-04-05 | | 公開日 | 2018-09-19 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor.
ACS Med Chem Lett, 9, 2018
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2V6T
 | | Crystal structure of a complex of pterin-4a-carbinolamine dehydratase from Toxoplasma gondii with 7,8-dihydrobiopterin | | 分子名称: | 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, PTERIN-4A-CARBINOLAMINE DEHYDRATASE | | 著者 | Cameron, S, Fyffe, S.A, Hunter, W.N. | | 登録日 | 2007-07-20 | | 公開日 | 2008-07-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Crystal Structures of Toxoplasma Gondii Pterin-4A-Carbinolamine Dehydratase and Comparisons with Mammalian and Parasite Orthologues.
Mol.Biochem.Parasitol., 158, 2008
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