PDB: 66507 件ウェブページステータス検索Chemie searchBIRD

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5Y1Q	Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(3-chlorobenzyl)ureido)-N-hydroxy-4-methylpentanamide 分子名称: (2S)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, M1 family aminopeptidase, MAGNESIUM ION, ... 著者 Marapaka, A.K, Zhang, Y, Addlagatta, A. 登録日 2017-07-21 公開日 2018-08-01 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization Chin.Chem.Lett., 33, 2022
5IJW	Glutamate Racemase (MurI) from Mycobacterium smegmatis with bound D-glutamate, 1.8 Angstrom resolution, X-ray diffraction 分子名称: D-GLUTAMIC ACID, Glutamate racemase, IODIDE ION 著者 Poen, S, Nakatani, Y, Krause, K. 登録日 2016-03-02 公開日 2016-05-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Exploring the structure of glutamate racemase from Mycobacterium tuberculosis as a template for anti-mycobacterial drug discovery. Biochem. J., 473, 2016
7T70	Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 4/5 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Shaqra, A.M, Schiffer, C.A. 登録日 2021-12-14 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022
7T9Y	Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 8/9 分子名称: 3C-like proteinase, GLYCEROL, Nonstructural protein 8/9 著者 Shaqra, A.M, Schiffer, C.A. 登録日 2021-12-20 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022
7TA7	Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 10/11 分子名称: 3C-like proteinase, GLYCEROL, Nonstructural protein 10/11 著者 Shaqra, A.M, Schiffer, C.A. 登録日 2021-12-20 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022
7T8R	Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 7/8 分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, GLYCEROL, ... 著者 Shaqra, A.M, Schiffer, C.A. 登録日 2021-12-16 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022
5Y2E	Crystal structure of the oligomerization domain of NSP4 from the rotavirus strain NCDV 分子名称: Non-structural glycoprotein 4 著者 Suguna, K, Kumar, S. 登録日 2017-07-25 公開日 2018-03-14 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 New tetrameric forms of the rotavirus NSP4 with antiparallel helices. Arch. Virol., 163, 2018
7TB2	Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 12/13 分子名称: 3C-like proteinase, Nonstructural protein 12/13 著者 Shaqra, A.M, Schiffer, C.A. 登録日 2021-12-21 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022
7TBT	Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 13/14 分子名称: 3C-like proteinase, Nonstructural protein 13/14 著者 Shaqra, A.M, Schiffer, C.A. 登録日 2021-12-22 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022
7TC4	Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 15/16 分子名称: 3C-like proteinase, GLYCEROL, Nonstructural protein 15/16 著者 Shaqra, A.M, Schiffer, C.A. 登録日 2021-12-22 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022
5YGY	Crystal Structure of BACE1 in complex with (S)-N-(3-(2-amino-6-(fluoromethyl)-4 -methyl-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide 分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ... 著者 Fuchino, K, Mitsuoka, Y, Masui, M, Kurose, N, Yoshida, S, Komano, K, Yamamoto, T, Ogawa, M, Unemura, C, Hosono, M, Ito, H, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Miyajima, H, Hiroyama, S, Koyabu, K, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K. 登録日 2017-09-27 公開日 2018-05-23 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Rational Design of Novel 1,3-Oxazine Based beta-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust A beta Reduction in the Brain J. Med. Chem., 61, 2018
5YIA	Crystal Structure of KNI-10343 bound Plasmepsin II (PMII) from Plasmodium falciparum 分子名称: (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, GLYCEROL, ... 著者 Rathore, I, Mishra, V, Bhaumik, P. 登録日 2017-10-03 公開日 2018-07-11 最終更新日 2019-05-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights. Febs J., 285, 2018
7T8M	Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 5/6 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Shaqra, A.M, Schiffer, C.A. 登録日 2021-12-16 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022
5ILP	H64Q sperm whale myoglobin with a Fe-tolyl moiety 分子名称: GLYCEROL, Myoglobin, SULFATE ION, ... 著者 Wang, B, Thomas, L.M, Richter-Addo, G.B. 登録日 2016-03-04 公開日 2016-09-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations. J. Inorg. Biochem., 164, 2016
5YJP	Human chymase in complex with 3-(ethoxyimino)-7-oxo-1,4-diazepane derivative 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ... 著者 Sugawara, H. 登録日 2017-10-11 公開日 2017-12-27 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors Bioorg. Med. Chem. Lett., 28, 2018
5IRB	Structural insight into host cell surface retention of a 1.5-MDa bacterial ice-binding adhesin 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, MAGNESIUM ION, ... 著者 Guo, S, Phippen, S, Campbell, R, Davies, P. 登録日 2016-03-12 公開日 2017-07-19 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice. Sci Adv, 3, 2017
7SUV	APE1 exonuclease substrate complex with 8oxoG opposite A 分子名称: DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(8OG))-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ... 著者 Whitaker, A.W, Freudenthal, B.D. 登録日 2021-11-18 公開日 2022-09-07 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Processing oxidatively damaged bases at DNA strand breaks by APE1. Nucleic Acids Res., 50, 2022
5IE3	Crystal structure of a plant enzyme 分子名称: ADENOSINE MONOPHOSPHATE, OXALIC ACID, Oxalate--CoA ligase 著者 Fan, M.R, Li, M, Chang, W.R. 登録日 2016-02-24 公開日 2016-12-07 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structures of Arabidopsis thaliana Oxalyl-CoA Synthetase Essential for Oxalate Degradation Mol Plant, 9, 2016
5IEP	Structure of CDL2.3b, a computationally designed Vitamin-D3 binder 分子名称: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3b 著者 Stoddard, B.L, Doyle, L.A. 登録日 2016-02-25 公開日 2017-03-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.893 Å) 主引用文献 Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold. Protein Eng.Des.Sel., 31, 2018
5WN5	APE1 exonuclease substrate complex with a C/T mismatch and Mn2+ 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DV3))-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... 著者 Freudenthal, B.D, Whitaker, A.M. 登録日 2017-07-31 公開日 2018-02-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Molecular snapshots of APE1 proofreading mismatches and removing DNA damage. Nat Commun, 9, 2018
7SVB	APE1 exonuclease substrate complex with 8oxoG opposite C 分子名称: DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(8OG))-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ... 著者 Whitaker, A.W, Freudenthal, B.D. 登録日 2021-11-18 公開日 2022-09-07 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Processing oxidatively damaged bases at DNA strand breaks by APE1. Nucleic Acids Res., 50, 2022
5IOK	Crystal structure of Taf14 YEATS domain in complex with histone H3K9cr 分子名称: (ACE)QTAR(KCR)ST, DI(HYDROXYETHYL)ETHER, Transcription initiation factor TFIID subunit 14 著者 Andrews, F.H, Kuateladze, T.G. 登録日 2016-03-08 公開日 2016-04-20 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 The Taf14 YEATS domain is a reader of histone crotonylation. Nat.Chem.Biol., 12, 2016
5IR3	Crystal structure of the recombinant highest fibrillogenic natural mutant (obtained from patient AR) derived from lambda 6 light chain variable domain 分子名称: ACETATE ION, Ig lambda chain V-VI region AR 著者 Hernandez-Santoyo, A, Rodriguez-Romero, A. 登録日 2016-03-11 公開日 2017-06-14 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Stabilizing an amyloidogenic lambda 6 light chain variable domain. FEBS J., 284, 2017
7L7P	Crystal structure of HCV NS3/4A D168A protease in complex with CH-24 分子名称: 1,2-ETHANEDIOL, NS3/4A protease, SULFATE ION, ... 著者 Zephyr, J, Schiffer, C.A. 登録日 2020-12-29 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants. J.Med.Chem., 64, 2021
7L7O	Crystal structure of HCV NS3/4A D168A protease in complex with NR04-49 分子名称: (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-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, 1,2-ETHANEDIOL, NS3/4A protease, ... 著者 Zephyr, J, Schiffer, C.A. 登録日 2020-12-29 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants. J.Med.Chem., 64, 2021

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