4F41
 
 | |
1MDJ
 | | HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN NFKB (RESIDUES 56-68 OF THE P50 SUBUNIT OF NFKB) | | 分子名称: | TARGET SITE IN HUMAN NFKB, THIOREDOXIN | | 著者 | Clore, G.M, Qin, J, Gronenborn, A.M. | | 登録日 | 1995-02-27 | | 公開日 | 1995-06-03 | | 最終更新日 | 2024-10-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of human thioredoxin in a mixed disulfide intermediate complex with its target peptide from the transcription factor NF kappa B.
Structure, 3, 1995
|
|
1MDI
 | |
1MDK
 | | HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN NFKB (RESIDUES 56-68 OF THE P50 SUBUNIT OF NFKB) | | 分子名称: | TARGET SITE IN HUMAN NFKB, THIOREDOXIN | | 著者 | Clore, G.M, Qin, J, Gronenborn, A.M. | | 登録日 | 1995-02-27 | | 公開日 | 1995-06-03 | | 最終更新日 | 2024-11-06 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of human thioredoxin in a mixed disulfide intermediate complex with its target peptide from the transcription factor NF kappa B.
Structure, 3, 1995
|
|
7CZO
 | | N-terminal domain of HipA toxin | | 分子名称: | CHLORIDE ION, Uncharacterized protein HI_0666 | | 著者 | Kang, S.M. | | 登録日 | 2020-09-09 | | 公開日 | 2021-09-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The Haemophilus influenzae HipBA toxin-antitoxin system adopts an unusual three-com-ponent regulatory mechanism
Iucrj, 9, 2022
|
|
7COM
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | | 分子名称: | 3C-like proteinase, boceprevir (bound form) | | 著者 | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | | 登録日 | 2020-08-04 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
|
|
4E0G
 | | Protelomerase tela/DNA hairpin product/vanadate complex | | 分子名称: | DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3'), Protelomerase, ... | | 著者 | Shi, K, Aihara, H. | | 登録日 | 2012-03-03 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Plos Biol., 11, 2013
|
|
4E0Z
 | | Protelomerase tela R205A covalently complexed with substrate DNA | | 分子名称: | DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*CP*A*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3'), GLYCEROL, ... | | 著者 | Shi, K, Aihara, H. | | 登録日 | 2012-03-05 | | 公開日 | 2013-02-13 | | 最終更新日 | 2025-02-12 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Plos Biol., 11, 2013
|
|
7FAZ
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Y180 | | 分子名称: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide, 3C-like proteinase, SODIUM ION | | 著者 | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | | 登録日 | 2021-07-08 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron.
Nat Microbiol, 7, 2022
|
|
7FAY
 | | Crystal structure of SARS-CoV-2 main protease in complex with (R)-1a | | 分子名称: | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide, 3C-like proteinase | | 著者 | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | | 登録日 | 2021-07-08 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron.
Nat Microbiol, 7, 2022
|
|
6WEB
 | | Multi-Hit SFX using MHz XFEL sources | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | 著者 | Holmes, S, Darmanin, C, Abbey, B. | | 登録日 | 2020-04-01 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
|
|
6WEC
 | | Multi-Hit SFX using MHz XFEL sources | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | 著者 | Holmes, S, Darmanin, C, Abbey, B. | | 登録日 | 2020-04-01 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
|
|
4ZAE
 | | Development of a novel class of potent and selective FIXa inhibitors | | 分子名称: | 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, ... | | 著者 | Hruza, A, Reichert, P. | | 登録日 | 2015-04-13 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Development of a novel class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
1H6E
 | |
5AB3
 | | S.enterica HisA mutant D7N, D10G, dup13-15, Q24L, G102A | | 分子名称: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, SODIUM ION, [(2R,3S,4R,5R)-5-[4-AMINOCARBONYL-5-[[(Z)-[(3R,4R)-3,4-DIHYDROXY-2-OXO-5-PHOSPHONOOXY-PENTYL]IMINOMETHYL]AMINO]IMIDAZOL-1-YL]-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE | | 著者 | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | | 登録日 | 2015-07-31 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.803 Å) | | 主引用文献 | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
4ZXA
 | | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Cd2+ and 4-hydroxybenzonitrile | | 分子名称: | 4-hydroxybenzonitrile, CADMIUM ION, Hydroquinone dioxygenase large subunit, ... | | 著者 | Liu, S, Su, T, Zhang, C, Gu, L. | | 登録日 | 2015-05-20 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.488 Å) | | 主引用文献 | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases.
J.Biol.Chem., 290, 2015
|
|
5AC8
 | | S. enterica HisA with mutations D10G, dup13-15, G102A | | 分子名称: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, SULFATE ION | | 著者 | Newton, M, Guo, X, Soderholm, A, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | | 登録日 | 2015-08-12 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | | 主引用文献 | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5C32
 | |
4ZTL
 | | Irak4-inhibitor co-structure | | 分子名称: | (1R,2S,3R,5R)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol, Interleukin-1 receptor-associated kinase 4 | | 著者 | Fischmann, T.O. | | 登録日 | 2015-05-14 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Discovery and Structure Enabled Synthesis of 2,6-Diaminopyrimidin-4-one IRAK4 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
|
|
4ZXD
 | | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD | | 分子名称: | Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | | 著者 | Liu, S, Su, T, Zhang, C, Gu, L. | | 登録日 | 2015-05-20 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.052 Å) | | 主引用文献 | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases.
J.Biol.Chem., 290, 2015
|
|
4ZTN
 | | Irak4-inhibitor co-structure | | 分子名称: | 5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3R)-piperidin-3-ylamino]pyrimidin-4(3H)-one, Interleukin-1 receptor-associated kinase 4 | | 著者 | Fischmann, T.O. | | 登録日 | 2015-05-14 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Discovery and Structure Enabled Synthesis of 2,6-Diaminopyrimidin-4-one IRAK4 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
|
|
4ZXC
 | | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Fe3+ | | 分子名称: | FE (III) ION, Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | | 著者 | Liu, S, Su, T, Zhang, C, Gu, L. | | 登録日 | 2015-05-20 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases.
J.Biol.Chem., 290, 2015
|
|
4ZTM
 | | Irak4-inhibitor co-structure | | 分子名称: | 5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3H)-one, Interleukin-1 receptor-associated kinase 4 | | 著者 | Fischmann, T.O. | | 登録日 | 2015-05-14 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Discovery and Structure Enabled Synthesis of 2,6-Diaminopyrimidin-4-one IRAK4 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
|
|
5AC7
 | | S. enterica HisA with mutations D7N, D10G, dup13-15 | | 分子名称: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, SODIUM ION, ... | | 著者 | Newton, M, Guo, X, Soderholm, A, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | | 登録日 | 2015-08-12 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | | 主引用文献 | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5C34
 | |
