8OG9
| Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 4 | 分子名称: | 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline, DDB1- and CUL4-associated factor 1 | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | 登録日 | 2023-03-19 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.945 Å) | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OGB
| Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 8 | 分子名称: | 1,2-ETHANEDIOL, DDB1- and CUL4-associated factor 1, DIMETHYL SULFOXIDE, ... | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | 登録日 | 2023-03-19 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8OGA
| Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 6 | 分子名称: | 1,2-ETHANEDIOL, 5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline, DDB1- and CUL4-associated factor 1, ... | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | 登録日 | 2023-03-19 | 公開日 | 2023-06-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field. Acs Med.Chem.Lett., 14, 2023
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8GW4
| SARS-CoV-2 Mpro 1-302/C145A in complex with peptide 8-1 | 分子名称: | Replicase polyprotein 1ab, peptide 8-1 | 著者 | Liu, M, Huang, H. | 登録日 | 2022-09-16 | 公開日 | 2023-08-23 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors. Angew.Chem.Int.Ed.Engl., 62, 2023
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1N4Y
| REFINED STRUCTURE OF KISTRIN | 分子名称: | KISTRIN | 著者 | Krezel, A.M, Krane, J, Dennis, M.S, Lazarus, R.A, Wagner, G. | 登録日 | 2002-11-02 | 公開日 | 2003-01-28 | 最終更新日 | 2012-09-05 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of kistrin, a potent platelet aggregation inhibitor and GP IIb-IIIa antagonist. Science, 253, 1991
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1N53
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8GWS
| SARS-CoV-2 Mpro 1-302 c145a in complex with peptide 4 | 分子名称: | Replicase polyprotein 1ab, VAL-LYS-LEU-GLN-ALA-ILE-PHE-ARG | 著者 | Liu, M, Fu, Z, Huang, H. | 登録日 | 2022-09-17 | 公開日 | 2023-08-23 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors. Angew.Chem.Int.Ed.Engl., 62, 2023
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1NFQ
| Rv2002 gene product from Mycobacterium tuberculosis | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Androsterone, Putative oxidoreductase Rv2002 | 著者 | Yang, J.K, Park, M.S, Waldo, G.S, Suh, S.W, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2002-12-15 | 公開日 | 2002-12-30 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Directed evolution approach to a structural genomics project: Rv2002 from Mycobacterium tuberculosis Proc.Natl.Acad.Sci.USA, 100, 2003
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8GJU
| Crystal structure of human methylmalonyl-CoA mutase (MMUT) in complex with methylmalonic acidemia type A protein (MMAA), coenzyme A, and GDP | 分子名称: | COENZYME A, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Mascarenhas, R.M, Ruetz, M, Gouda, H, Yaw, M, Banerjee, R. | 登録日 | 2023-03-16 | 公開日 | 2023-08-09 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Architecture of the human G-protein-methylmalonyl-CoA mutase nanoassembly for B 12 delivery and repair. Nat Commun, 14, 2023
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1NHA
| Solution Structure of the Carboxyl-Terminal Domain of RAP74 and NMR Characterization of the FCP-Binding Sites of RAP74 and CTD of RAP74, the subunit of Human TFIIF | 分子名称: | Transcription initiation factor IIF, alpha subunit | 著者 | Nguyen, B.D, Chen, H.T, Kobor, M.S, Greenblatt, J, Legault, P, Omichinski, J.G. | 登録日 | 2002-12-19 | 公開日 | 2003-02-25 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure of the Carboxyl-Terminal Domain of RAP74 and NMR Characterization of the FCP1-Binding Sites of RAP74 and Human TFIIB. Biochemistry, 42, 2003
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6MXT
| Crystal structure of human beta2 adrenergic receptor bound to salmeterol and Nb71 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endolysin, ... | 著者 | Masureel, M, Zou, Y, Picard, L.P, van der Westhuizen, E, Mahoney, J.P, Rodrigues, J.P.G.L.M, Mildorf, T.J, Dror, R.O, Shaw, D.E, Bouvier, M, Pardon, E, Steyaert, J, Sunahara, R.K, Weis, W.I, Zhang, C, Kobilka, B.K. | 登録日 | 2018-10-31 | 公開日 | 2018-11-14 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.95934224 Å) | 主引用文献 | Structural insights into binding specificity, efficacy and bias of a beta2AR partial agonist. Nat. Chem. Biol., 14, 2018
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1N7D
| Extracellular domain of the LDL receptor | 分子名称: | 12-TUNGSTOPHOSPHATE, CALCIUM ION, Low-density lipoprotein receptor, ... | 著者 | Rudenko, G, Henry, L, Henderson, K, Ichtchenko, K, Brown, M.S, Goldstein, J.L, Deisenhofer, J. | 登録日 | 2002-11-13 | 公開日 | 2003-01-21 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Structure of the LDL receptor extracellular domain at endosomal pH Science, 298, 2002
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5NDU
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5D4I
| Intact nitrite complex of a copper nitrite reductase determined by serial femtosecond crystallography | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | 著者 | Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Masuda, T, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E. | 登録日 | 2015-08-07 | 公開日 | 2016-03-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography Proc.Natl.Acad.Sci.USA, 113, 2016
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5NC7
| ENAH EVH1 in complex with Ac-WPPPPTEDEL-NH2 | 分子名称: | ActA-derived 10-mer Ac-FPPPPTEDEL-NH2 with acetylated (Ac) and amidated (NH2) termini. Phe is substitued by Trp to increase affinity for crystallization, Protein enabled homolog | 著者 | Barone, M, Roske, Y. | 登録日 | 2017-03-03 | 公開日 | 2018-03-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Proc.Natl.Acad.Sci.USA, 117, 2020
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5D7A
| Crystal structure of the kinase domain of TRAF2 and NCK-interacting protein kinase with NCB-0846 | 分子名称: | SULFATE ION, TRAF2 and NCK-interacting protein kinase, cis-4-{[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol | 著者 | Ohbayashi, N, Kukimoto-Niino, M, Yamada, T, Shirouzu, M. | 登録日 | 2015-08-13 | 公開日 | 2016-08-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | TNIK inhibition abrogates colorectal cancer stemness Nat Commun, 7, 2016
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5NEG
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8JZX
| SLC15A4 inhibitor complex | 分子名称: | 2-(4-ethoxyphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]quinoline-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | 著者 | Zhang, S.S, Chen, X.D, Xie, M. | 登録日 | 2023-07-06 | 公開日 | 2023-09-27 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | A conformation-locking inhibitor of SLC15A4 with TASL proteostatic anti-inflammatory activity. Nat Commun, 14, 2023
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5KXU
| Structure Proteinase K determined by SACLA | 分子名称: | CALCIUM ION, NITRATE ION, Proteinase K | 著者 | Masuda, T, Suzuki, M, Inoue, S, Numata, K, Sugahara, M. | 登録日 | 2016-07-20 | 公開日 | 2017-06-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Atomic resolution structure of serine protease proteinase K at ambient temperature. Sci Rep, 7, 2017
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7Q85
| Crystal structure of human STING in complex with MD1193 | 分子名称: | 9-[(1R,6R,8R,13E,15R,17R,18R)-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,16-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadec-13-en-8-yl]purin-6-amine, Stimulator of interferon genes protein | 著者 | Smola, M, Klima, M, Boura, E. | 登録日 | 2021-11-10 | 公開日 | 2022-10-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.359 Å) | 主引用文献 | Vinylphosphonate-based cyclic dinucleotides enhance STING-mediated cancer immunotherapy. Eur.J.Med.Chem., 259, 2023
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7QB6
| Crystal Structure of Medicago truncatula Nodulin 13 (MtN13) in complex with 3-carboxybenzophenone | 分子名称: | 3-benzoylbenzoic acid, MALONATE ION, Nodulin-13 | 著者 | Grzechowiak, M, Ignasiak, M, Nowicka-Bauer, K, Marciniak, B, Jaskolski, M. | 登録日 | 2021-11-18 | 公開日 | 2022-10-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Does the presence of ground state complex between a PR-10 protein and a sensitizer affect the mechanism of sensitized photo-oxidation? Free Radic Biol Med, 198, 2023
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5NCP
| ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-12]-OH | 分子名称: | (3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, NITRATE ION, Protein enabled homolog, ... | 著者 | Barone, M, Roske, Y. | 登録日 | 2017-03-06 | 公開日 | 2018-03-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Proc.Natl.Acad.Sci.USA, 117, 2020
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6CGY
| Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to a phosphate anion | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ... | 著者 | Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M. | 登録日 | 2018-02-21 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties. Sci Rep, 8, 2018
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6CHN
| Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)ethyl)phenoxy)piperidine-1-carboxylate | 分子名称: | DI(HYDROXYETHYL)ETHER, Phosphopantetheine adenylyltransferase, SULFATE ION, ... | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2018-02-22 | 公開日 | 2018-04-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
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6MQV
| Structure of HEWL from LCP injector using synchrotron radiation | 分子名称: | Lysozyme C, SODIUM ION | 著者 | Caradoc-Davies, T.T, Aishima, J, Berntsen, P, Hadian-Jazi, M. | 登録日 | 2018-10-10 | 公開日 | 2019-09-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The serial millisecond crystallography instrument at the Australian Synchrotron incorporating the "Lipidico" injector. Rev Sci Instrum, 90, 2019
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