8E4Z
| Co-crystal structure of Chaetomium glucosidase with compound 8 | 分子名称: | (2R,3R,4R,5S)-1-(6-{[(4P)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Karade, S.S, Mariuzza, R.A. | 登録日 | 2022-08-19 | 公開日 | 2023-02-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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8ECW
| Co-crystal structure of Chaetomium glucosidase with compound 11 | 分子名称: | (2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(pyridazin-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | 著者 | Karade, S.S, Mariuzza, R.A. | 登録日 | 2022-09-02 | 公開日 | 2023-02-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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6DLW
| Complement component polyC9 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement component C9, beta-D-mannopyranose | 著者 | Dunstone, M.A, Spicer, B.A, Law, R.H.P. | 登録日 | 2018-06-03 | 公開日 | 2018-09-12 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | The first transmembrane region of complement component-9 acts as a brake on its self-assembly. Nat Commun, 9, 2018
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5K9M
| Crystal Structure of PriB Binary Complex with Product Diphosphate | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYROPHOSPHATE 2-, PriB Prenyltransferase | 著者 | Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | 登録日 | 2016-06-01 | 公開日 | 2016-06-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure and specificity of a permissive bacterial C-prenyltransferase. Nat. Chem. Biol., 13, 2017
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6DEU
| Human caspase-6 A109T | 分子名称: | Caspase-6 | 著者 | Tubeleviciute-Aydin, A, Beautrait, A, Lynham, J, Sharma, G, Gorelik, A, Deny, L.J, Soya, N, Lukacs, G.L, Nagar, B, Marinier, A, LeBlanc, A.C. | 登録日 | 2018-05-13 | 公開日 | 2019-03-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.796 Å) | 主引用文献 | Identification of Allosteric Inhibitors against Active Caspase-6. Sci Rep, 9, 2019
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6DQ8
| LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | 分子名称: | 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2018-06-10 | 公開日 | 2018-11-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DFF
| Structure of the cargo bound AP-1:Arf1:tetherin-Nef monomer | 分子名称: | ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ... | 著者 | Morris, K.L, Buffalo, C.Z, Ren, X, Hurley, J.H. | 登録日 | 2018-05-14 | 公開日 | 2018-08-08 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | HIV-1 Nefs Are Cargo-Sensitive AP-1 Trimerization Switches in Tetherin Downregulation. Cell, 174, 2018
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8E4I
| Co-crystal structure of Chaetomium glucosidase with compound 6 | 分子名称: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{[(4P)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Karade, S.S, Mariuzza, R.A. | 登録日 | 2022-08-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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8E6G
| Co-crystal structure of Chaetomium glucosidase with compound 10 | 分子名称: | (2R,3R,4R,5S)-1-(6-{[(5M)-3-cyclopropyl-5-(pyridazin-3-yl)phenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Karade, S.S, Mariuzza, R.A. | 登録日 | 2022-08-22 | 公開日 | 2023-02-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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6DH0
| Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2018-05-18 | 公開日 | 2018-12-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.899 Å) | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6DSO
| Cryo-EM structure of murine AA amyloid fibril | 分子名称: | Serum amyloid A-2 protein | 著者 | Loerch, S, Liberta, F, Grigorieff, N, Fandrich, M, Schmidt, M. | 登録日 | 2018-06-14 | 公開日 | 2019-03-13 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Cryo-EM fibril structures from systemic AA amyloidosis reveal the species complementarity of pathological amyloids. Nat Commun, 10, 2019
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6DH8
| Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with UMass6 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Schiffer, C.A. | 登録日 | 2018-05-18 | 公開日 | 2018-12-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.951 Å) | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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6DHZ
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6DUJ
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7Y3I
| Structure of DNA bound SALL4 | 分子名称: | DNA (12-mer), Sal-like protein 4, ZINC ION | 著者 | Ru, W, Xu, C. | 登録日 | 2022-06-10 | 公開日 | 2022-10-26 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural studies of SALL family protein zinc finger cluster domains in complex with DNA reveal preferential binding to an AATA tetranucleotide motif. J.Biol.Chem., 298, 2022
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8E4K
| Co-crystal structure of Chaetomium glucosidase with compound 7 | 分子名称: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Karade, S.S, Mariuzza, R.A. | 登録日 | 2022-08-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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5KB0
| Crystal Structure of a Tris-thiolate Pb(II) Complex in a de Novo Three-stranded Coiled Coil Peptide | 分子名称: | CHLORIDE ION, LEAD (II) ION, Pb(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, ... | 著者 | Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. | 登録日 | 2016-06-02 | 公開日 | 2016-08-31 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins. J.Am.Chem.Soc., 138, 2016
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7Y3L
| Structure of SALL3 ZFC4 bound with 12 bp AT-rich dsDNA | 分子名称: | DNA (12-mer), Sal-like protein 3, ZINC ION | 著者 | Ru, W, Xu, C. | 登録日 | 2022-06-11 | 公開日 | 2022-10-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural studies of SALL family protein zinc finger cluster domains in complex with DNA reveal preferential binding to an AATA tetranucleotide motif. J.Biol.Chem., 298, 2022
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6DIS
| Crystal structure of HCV NS3/4A protease in complex with P4-1 (AJ-71) | 分子名称: | 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate, GLYCEROL, ... | 著者 | Matthew, A.N, Schiffer, C.A. | 登録日 | 2018-05-23 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.921 Å) | 主引用文献 | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published
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7Y3M
| Structure of SALL4 ZFC1 bound with 16 bp AT-rich dsDNA | 分子名称: | DNA (16-mer), Sal-like protein 4, ZINC ION | 著者 | Ru, W, Xu, C. | 登録日 | 2022-06-11 | 公開日 | 2022-10-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.723 Å) | 主引用文献 | Structural studies of SALL family protein zinc finger cluster domains in complex with DNA reveal preferential binding to an AATA tetranucleotide motif. J.Biol.Chem., 298, 2022
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7Y3K
| Structure of SALL4 ZFC4 bound with 16 bp AT-rich dsDNA | 分子名称: | DNA (16-mer), Sal-like protein 4, ZINC ION | 著者 | Ru, W, Xu, C. | 登録日 | 2022-06-11 | 公開日 | 2022-10-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | Structural studies of SALL family protein zinc finger cluster domains in complex with DNA reveal preferential binding to an AATA tetranucleotide motif. J.Biol.Chem., 298, 2022
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6DUX
| 2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD. | 分子名称: | (2S)-2-hydroxybutanedioic acid, 6-phospho-alpha-glucosidase, ACETATE ION, ... | 著者 | Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-06-22 | 公開日 | 2018-07-04 | 最終更新日 | 2023-06-14 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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6DJ7
| HIV-1 protease with mutation L76V in complex with GRL-5010 (gem-difluoro-bis-tetrahydrofuran as P2 ligand) | 分子名称: | (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | 著者 | Wong-Sam, A.E, Wang, Y.F, Weber, I.T. | 登録日 | 2018-05-24 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
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6DJD
| Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 (single soak) | 分子名称: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | 著者 | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | 登録日 | 2018-05-25 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.777 Å) | 主引用文献 | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 2019
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6DKF
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