PDB: 82203 件ウェブページステータス検索Chemie searchBIRD

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6ETQ	Atomic resolution structure of RNase A (data collection 7) 分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic 著者 Caterino, M, Vergara, A, Merlino, A. 登録日 2017-10-27 公開日 2018-02-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.08 Å) 主引用文献 Raman-markers of X-ray radiation damage of proteins. Int. J. Biol. Macromol., 111, 2018
6ETO	Atomic resolution structure of RNase A (data collection 5) 分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic 著者 Caterino, M, Vergara, A, Merlino, A. 登録日 2017-10-27 公開日 2018-02-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.02 Å) 主引用文献 The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC. Chembiochem, 2018
6ETN	Atomic resolution structure of RNase A (data collection 4) 分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic 著者 Caterino, M, Vergara, A, Merlino, A. 登録日 2017-10-27 公開日 2018-02-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (0.92 Å) 主引用文献 Raman-markers of X-ray radiation damage of proteins. Int. J. Biol. Macromol., 111, 2018
8JY6	Structure of TbAQP2 in complex with anti-trypanosomatid drug melarsoprol 分子名称: Aquaglyceroporin 2, [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol 著者 Chen, W, Wang, C. 登録日 2023-07-03 公開日 2024-05-29 実験手法 ELECTRON MICROSCOPY (2.5 Å) 主引用文献 Structural insights into drug transport by an aquaglyceroporin. Nat Commun, 15, 2024
8JY8	Structure of TbAQP2 in complex with anti-trypanosomatid drug pentamidine 分子名称: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, Aquaglyceroporin 2 著者 Chen, W, Wang, C. 登録日 2023-07-03 公開日 2024-05-29 実験手法 ELECTRON MICROSCOPY (2.45 Å) 主引用文献 Structural insights into drug transport by an aquaglyceroporin. Nat Commun, 15, 2024
5YWF	Crystal structure of 2H4 Fab 分子名称: 2H4 heavy chain, 2H4 light chain 著者 Qiu, X, Lei, Y, Yang, P, Gao, Q, Wang, N, Cao, L, Wang, X, Xu, Z.K, Rao, Z. 登録日 2017-11-29 公開日 2018-03-21 実験手法 X-RAY DIFFRACTION (2.206 Å) 主引用文献 Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies Nat Microbiol, 3, 2018
1LNL	Structure of deoxygenated hemocyanin from Rapana thomasiana 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, hemocyanin 著者 Perbandt, M, Guthoehrlein, E.W, Rypniewski, W, Idakieva, K, Stoeva, S, Voelter, W, Genov, N, Betzel, C. 登録日 2002-05-03 公開日 2003-06-03 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 The structure of a functional unit from the wall of a gastropod hemocyanin offers a possible mechanism for cooperativity Biochemistry, 42, 2003
5R0K	PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry G12, DMSO-free 分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ~{N}-[(~{E})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-12 公開日 2020-06-03 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5ZDP	Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with ferulenol 分子名称: 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, Alternative oxidase, mitochondrial, ... 著者 Shiba, T, Inaoka, D.K, Takahashi, G, Tsuge, C, Kido, Y, Young, L, Ueda, S, Balogun, E.O, Nara, T, Honma, T, Tanaka, A, Inoue, M, Saimoto, H, Harada, S, Moore, A.L, Kita, K. 登録日 2018-02-23 公開日 2019-02-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 Insights into the ubiquinol/dioxygen binding and proton relay pathways of the alternative oxidase. Biochim Biophys Acta Bioenerg, 1860, 2019
5ZDR	Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with ascofuranone derivative 分子名称: 3-chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde, Alternative oxidase, mitochondrial, ... 著者 Shiba, T, Inaoka, D.K, Takahashi, G, Tsuge, C, Kido, Y, Young, L, Ueda, S, Balogun, E.O, Nara, T, Honma, T, Tanaka, A, Inoue, M, Saimoto, H, Harada, S, Moore, A.L, Kita, K. 登録日 2018-02-23 公開日 2019-02-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Insights into the ubiquinol/dioxygen binding and proton relay pathways of the alternative oxidase. Biochim Biophys Acta Bioenerg, 1860, 2019
2D1Q	Crystal structure of the thermostable Japanese Firefly Luciferase complexed with MgATP 分子名称: ADENOSINE MONOPHOSPHATE, Luciferin 4-monooxygenase 著者 Nakatsu, T, Ichiyama, S, Hiratake, J, Saldanha, A, Kobashi, N, Sakata, K, Kato, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2005-08-31 公開日 2006-03-21 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural basis for the spectral difference in luciferase bioluminescence. Nature, 440, 2006
2D1R	Crystal structure of the thermostable Japanese firefly Luciferase complexed with OXYLUCIFERIN and AMP 分子名称: 2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE, ADENOSINE MONOPHOSPHATE, Luciferin 4-monooxygenase 著者 Nakatsu, T, Ichiyama, S, Hiratake, J, Saldanha, A, Kobashi, N, Sakata, K, Kato, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2005-08-31 公開日 2006-03-21 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural basis for the spectral difference in luciferase bioluminescence. Nature, 440, 2006
2D1S	Crystal structure of the thermostable Japanese Firefly Luciferase complexed with High-energy intermediate analogue 分子名称: 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, CHLORIDE ION, Luciferin 4-monooxygenase 著者 Nakatsu, T, Ichiyama, S, Hiratake, J, Saldanha, A, Kobashi, N, Sakata, K, Kato, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2005-08-31 公開日 2006-03-21 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Structural basis for the spectral difference in luciferase bioluminescence. Nature, 440, 2006
5R1Z	PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry D11, DMSO-free 分子名称: 3-(1,3-thiazol-2-yl)propanoic acid, Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2020-07-08 実験手法 X-RAY DIFFRACTION (1.067 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
3IG7	Novel CDK-5 inhibitors - crystal structure of inhibitor EFP with CDK-2 分子名称: Cell division protein kinase 2, N-{1-[cis-3-(acetylamino)cyclobutyl]-1H-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide 著者 Pandit, J. 登録日 2009-07-27 公開日 2009-09-08 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease. Bioorg.Med.Chem.Lett., 19, 2009
3IGG	Novel CDK-5 inhibitors - crystal structure of inhibitor EFQ with CDK-2 分子名称: Cell division protein kinase 2, N-[1-(cis-3-hydroxycyclobutyl)-1H-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide 著者 Pandit, J. 登録日 2009-07-27 公開日 2009-09-08 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease. Bioorg.Med.Chem.Lett., 19, 2009
3IMO	Structure from the mobile metagenome of Vibrio cholerae. Integron cassette protein VCH_CASS14 分子名称: ACETATE ION, Integron cassette protein 著者 Deshpande, C.N, Sureshan, V, Harrop, S.J, Boucher, Y, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C. 登録日 2009-08-11 公開日 2009-08-25 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Integron gene cassettes: a repository of novel protein folds with distinct interaction sites Plos One, 8, 2013
3JUE	Crystal Structure of ArfGAP and ANK repeat domain of ACAP1 分子名称: ARFGAP with coiled-coil, ANK repeat and PH domain-containing protein 1, SULFATE ION, ... 著者 Pang, X, Zhang, K, Ma, J, Zhou, Q, Sun, F. 登録日 2009-09-15 公開日 2010-09-22 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Mechanistic insights into regulated cargo binding by ACAP1 protein J.Biol.Chem., 287, 2012
7JUJ	Cruzain bound to Gallinamide inhibitor 分子名称: Cruzipain, POTASSIUM ION, gallinamide A, ... 著者 Silva, E.B, Sharma, V, Alvarez, L.H, Gerwick, W.H, McKerrow, J.H, Podust, L.M. 登録日 2020-08-19 公開日 2021-08-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi . J.Med.Chem., 65, 2022
7FR2	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5551425673 - (S) isomer 分子名称: 3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-10-20 公開日 2022-11-09 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FR3	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A01A - (S) isomer 分子名称: 3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-10-20 公開日 2022-11-09 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FRC	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A05 - (R) isomer 分子名称: 3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-10-20 公開日 2022-11-09 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
7FRD	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A25A - (S) isomer 分子名称: 3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-10-20 公開日 2022-11-09 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published
3HQZ	Discovery of novel inhibitors of PDE10A 分子名称: 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ... 著者 Pandit, J, Marr, E.S. 登録日 2009-06-08 公開日 2009-08-04 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
3HQW	Discovery of novel inhibitors of PDE10A 分子名称: 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole, MAGNESIUM ION, ZINC ION, ... 著者 Pandit, J, Marr, E.S. 登録日 2009-06-08 公開日 2009-08-04 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009

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