7C69
 
 | | Crystal structure of beta-glycosides-binding protein of ABC transporter in a closed state bound to sophorose | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Sugar ABC transporter, ... | | 著者 | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | 登録日 | 2020-05-21 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
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7C6V
 | | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to laminaritriose (Form II) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | 登録日 | 2020-05-22 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
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6J0O
 | | Crystal structure of CERT START domain in complex with compound SC1 | | 分子名称: | 2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{H}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT, UNKNOWN ATOM OR ION | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2018-12-25 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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7VGE
 | | Structure of the PDZ deleted variant of HtrA2 protease (S306A) | | 分子名称: | Serine protease HTRA2, mitochondrial | | 著者 | Parui, A.L, Mishra, V, Bhaumik, P, Bose, K. | | 登録日 | 2021-09-15 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | Inter-subunit crosstalk via PDZ synergistically governs allosteric activation of proapoptotic HtrA2.
Structure, 30, 2022
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7SV6
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7SV5
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7SV3
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7SV4
 | | Crystal structure of SpaA-SLH in complex with 4,6-Pyr-beta-D-ManNAc-(1->4)-beta-D-GlcNAc-(1->3)-4,6-Pyr-beta-D-ManNAcOMe | | 分子名称: | GLYCEROL, Surface (S-) layer glycoprotein, methyl 2-acetamido-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-2-acetamido-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside | | 著者 | Legg, M.S.G, Evans, S.V. | | 登録日 | 2021-11-18 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | The S-layer homology domains of Paenibacillus alvei surface protein SpaA bind to cell wall polysaccharide through the terminal monosaccharide residue.
J.Biol.Chem., 298, 2022
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7T0F
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7ST8
 | | Crystal structure of 7H2.2 Fab in complex with SAS1B C-terminal region | | 分子名称: | 7H2.2 Fab Heavy Chain, 7H2.2 Fab Light Chain, Astacin-like metalloendopeptidase | | 著者 | Legg, M.S.G, Evans, S.V. | | 登録日 | 2021-11-12 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Monoclonal antibody 7H2.2 binds the C-terminus of the cancer-oocyte antigen SAS1B through the hydrophilic face of a conserved amphipathic helix corresponding to one of only two regions predicted to be ordered
Acta Crystallogr.,Sect.D, 78, 2022
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7SOH
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7VE2
 | | Crystal Structure of Lopinavir bound Plasmepsin II (PMII) from Plasmodium falciparum | | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, Plasmepsin II | | 著者 | Mishra, V, Rathore, I, Bhaumik, P. | | 登録日 | 2021-09-07 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery.
Curr Res Struct Biol, 7, 2024
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7WIN
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6G22
 | | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PEU | | 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, 5'(3')-deoxyribonucleotidase, mitochondrial, ... | | 著者 | Pachl, P, Rezacova, P, Brynda, J. | | 登録日 | 2018-03-22 | | 公開日 | 2018-07-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-based optimization of bisphosphonate nucleoside inhibitors of human 5'(3')-deoxyribonucleotidases
Eur.J.Org.Chem., 2018
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7SLT
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7SND
 | | Pacifastin related protease inhibitors | | 分子名称: | GLYCEROL, PHOSPHATE ION, Pacifastin-related peptide | | 著者 | Gewe, M.M, Strong, R.K. | | 登録日 | 2021-10-27 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
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7SNC
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7W61
 | | Crystal structure of farnesol dehydrogenase from Helicoverpa armigera | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Farnesol dehydrogenase, ... | | 著者 | Kumar, R, Das, J, Mahto, J.K, Sharma, M, Kumar, P, Sharma, A.K. | | 登録日 | 2021-12-01 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structure and molecular characterization of NADP + -farnesol dehydrogenase from cotton bollworm, Helicoverpaarmigera.
Insect Biochem.Mol.Biol., 147, 2022
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7XJO
 | | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Kamitani, M, Mima, M, Takeuchi, T. | | 登録日 | 2022-04-18 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
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7XGJ
 | | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | | 分子名称: | CALCIUM ION, GZS-ASN-ASP-ALA-LEU-IML-EOE-NH2, Matrix metalloproteinase-2, ... | | 著者 | Kamitani, M, Mima, M, Takeuchi, T. | | 登録日 | 2022-04-05 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
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7X2Y
 | | Crystal Structure of cis-4,5-dihydrodiol phthalate dehydrogenase in complex with NAD+ and 3-Hydroxybenzoate | | 分子名称: | 3-HYDROXYBENZOIC ACID, 4,5-dihydroxyphthalate dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Sharma, M, Mahto, J.K, Kumar, P. | | 登録日 | 2022-02-26 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase.
Arch.Biochem.Biophys., 727, 2022
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7TOB
 | | Crystal structure of the SARS-CoV-2 Omicron main protease (Mpro) in complex with inhibitor GC376 | | 分子名称: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | | 著者 | Sacco, M.D, Wang, J, Chen, Y. | | 登録日 | 2022-01-24 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | The P132H mutation in the main protease of Omicron SARS-CoV-2 decreases thermal stability without compromising catalysis or small-molecule drug inhibition.
Cell Res., 32, 2022
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3TFB
 | | Transthyretin natural mutant A25T | | 分子名称: | Transthyretin | | 著者 | Azevedo, E.P.C, Pereira, H.M, Garratt, R.C, Kelly, J.W, Foguel, D, Palhano, F.L. | | 登録日 | 2011-08-15 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.033 Å) | | 主引用文献 | Dissecting the Structure, Thermodynamic Stability, and Aggregation Properties of the A25T Transthyretin (A25T-TTR) Variant Involved in Leptomeningeal Amyloidosis: Identifying Protein Partners That Co-Aggregate during A25T-TTR Fibrillogenesis in Cerebrospinal Fluid.
Biochemistry, 50, 2011
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7YI7
 | | Crystal structure of Human HPSE1 in complex with inhibitor | | 分子名称: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit | | 著者 | Mima, M, Fujimoto, N, Imai, Y. | | 登録日 | 2022-07-15 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
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6L11
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | 分子名称: | 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine, Serine/threonine-protein kinase pim-1 | | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | 登録日 | 2019-09-27 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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