PDB: 10970 件ウェブページステータス検索Chemie searchBIRD

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4QGZ	X-ray structure of the adduct formed between hen egg white lysozyme and trans-dimethylamine methylamine dichlorido platinum(II) 分子名称: Lysozyme C, bis(chloranyl)-(dimethylamino)-(methylamino)platinum 著者 Russo Krauss, I, Merlino, A. 登録日 2014-05-26 公開日 2014-07-30 最終更新日 2014-08-20 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Interactions between Anticancer trans-Platinum Compounds and Proteins: Crystal Structures and ESI-MS Spectra of Two Protein Adducts of trans-(Dimethylamino)(methylamino)dichloridoplatinum(II). Inorg.Chem., 53, 2014
6CBF	Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (6a) 分子名称: 2-phenoxy-5-(1H-pyrazol-4-yl)benzoic acid, Macrophage migration inhibitory factor, SULFATE ION 著者 Robertson, M.J, Krimmer, S.G, Jorgensen, W.L. 登録日 2018-02-02 公開日 2018-04-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor. ChemMedChem, 13, 2018
4R5V	Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor 分子名称: GLYCEROL, M1 family aminopeptidase, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ... 著者 Drinkwater, N, Mcgowan, S. 登録日 2014-08-22 公開日 2014-10-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors. J.Med.Chem., 57, 2014
6TNC	X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 46 分子名称: CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide 著者 Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. 登録日 2019-12-06 公開日 2020-05-13 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
6T39	Crystal structure of rsEGFP2 in its off-state determined by SFX 分子名称: Green fluorescent protein 著者 Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. 登録日 2019-10-10 公開日 2020-02-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy. Nat Commun, 11, 2020
6CBG	Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (5) 分子名称: 3-(1H-pyrazol-4-yl)benzoic acid, GLYCEROL, Macrophage migration inhibitory factor, ... 著者 Robertson, M.J, Krimmer, S.G, Jorgensen, W.L. 登録日 2018-02-02 公開日 2018-04-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor. ChemMedChem, 13, 2018
4R7M	Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor 分子名称: 4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, DIMETHYL SULFOXIDE, ... 著者 Drinkwater, N, Mcgowan, S. 登録日 2014-08-28 公開日 2014-10-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors. J.Med.Chem., 57, 2014
6CPI	Solution structure of SH3 domain from Shank1 分子名称: SH3 and multiple ankyrin repeat domains protein 1 著者 Ishida, H, Vogel, H.J. 登録日 2018-03-13 公開日 2018-08-15 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Solution structures of the SH3 domains from Shank scaffold proteins and their interactions with Cav1.3 calcium channels. FEBS Lett., 592, 2018
6CQE	Crystal structure of HPK1 kinase domain S171A mutant 分子名称: Mitogen-activated protein kinase kinase kinase kinase 1 著者 Wu, P, Lehoux, I, Mortara, K, Franke, Y, Wang, W. 登録日 2018-03-15 公開日 2018-12-19 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.886 Å) 主引用文献 Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer. Structure, 27, 2019
4LXS	Structure of the Toll - Spatzle complex, a molecular hub in Drosophila development and innate immunity (glycosylated form) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Stelter, M, Parthier, C, Breithaupt, C, Stubbs, M.T. 登録日 2013-07-30 公開日 2014-04-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structure of the Toll-Spatzle complex, a molecular hub in Drosophila development and innate immunity. Proc.Natl.Acad.Sci.USA, 111, 2014
6T3A	Difference-refined structure of rsEGFP2 10 ns following 400-nm laser irradiation of the off-state determined by SFX 分子名称: Green fluorescent protein 著者 Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. 登録日 2019-10-10 公開日 2020-02-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy. Nat Commun, 11, 2020
4LMU	Crystal structure of Pim1 in complex with the inhibitor Quercetin (resulting from displacement of SKF86002) 分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, GLYCEROL, Serine/threonine-protein kinase pim-1 著者 Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. 登録日 2013-07-11 公開日 2014-02-12 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
6TN9	X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 16 分子名称: Dual specificity protein kinase TTK, [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone 著者 Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. 登録日 2019-12-06 公開日 2020-05-13 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
6TND	X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 79 分子名称: BAY 1217389, Dual specificity protein kinase TTK 著者 Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. 登録日 2019-12-06 公開日 2020-05-13 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
6TG8	Crystal structure of the Kelch domain in complex with 11 amino acid peptide (model of the ETGE loop) 分子名称: Kelch-like ECH-associated protein 1, SODIUM ION, VAL-ILE-ASN-PRO-GLU-THR-GLY-GLU-GLN-ILE-GLN 著者 Kekez, I, Matic, S, Tomic, S, Matkovic-Calogovic, D. 登録日 2019-11-15 公開日 2020-09-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Binding of dipeptidyl peptidase III to the oxidative stress cell sensor Kelch-like ECH-associated protein 1 is a two-step process. J.Biomol.Struct.Dyn., 39, 2021
4R5X	Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor 分子名称: 3-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Drinkwater, N, Mcgowan, S. 登録日 2014-08-22 公開日 2014-10-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors. J.Med.Chem., 57, 2014
6CB5	Macrophage Migration Inhibitory Factor in complex with a Pyrazole Inhibitor (8g) 分子名称: 2-[(naphthalen-2-yl)oxy]-5-(1H-pyrazol-4-yl)benzoic acid, Macrophage migration inhibitory factor, SULFATE ION 著者 Krimmer, S.G, Robertson, M.J, Jorgensen, W.L. 登録日 2018-02-02 公開日 2018-04-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor. ChemMedChem, 13, 2018
4MXW	Structure of heterotrimeric lymphotoxin LTa1b2 bound to lymphotoxin beta receptor LTbR and anti-LTa Fab 分子名称: Lymphotoxin-alpha, Lymphotoxin-beta, Tumor necrosis factor receptor superfamily member 3, ... 著者 Sudhamsu, J, Yin, J.P, Hymowitz, S.G. 登録日 2013-09-26 公開日 2013-11-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.6 Å) 主引用文献 Dimerization of LT beta R by LT alpha 1 beta 2 is necessary and sufficient for signal transduction. Proc.Natl.Acad.Sci.USA, 110, 2013
6TCK	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ... 著者 Welin, M, Kimbung, R, Focht, D. 登録日 2019-11-06 公開日 2020-09-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Rational design of balanced dual-targeting antibiotics with limited resistance. Plos Biol., 18, 2020
6CPK	Solution structure of SH3 domain from Shank3 分子名称: SH3 and multiple ankyrin repeat domains protein 3 著者 Ishida, H, Vogel, H.J. 登録日 2018-03-13 公開日 2018-08-15 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Solution structures of the SH3 domains from Shank scaffold proteins and their interactions with Cav1.3 calcium channels. FEBS Lett., 592, 2018
4R76	Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor 分子名称: 3-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, M17 family aminopeptidase, ... 著者 Drinkwater, N, Mcgowan, S. 登録日 2014-08-27 公開日 2014-10-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors. J.Med.Chem., 57, 2014
6CJK	Anti HIV Fab 10A 分子名称: ACETATE ION, GLYCEROL, Immunoglobulin Fab heavy chain, ... 著者 Hangartner, L, Ward, A.B, Wilson, I.A, Oyen, D. 登録日 2018-02-26 公開日 2018-08-15 最終更新日 2019-12-18 実験手法 X-RAY DIFFRACTION (1.795 Å) 主引用文献 Electron-Microscopy-Based Epitope Mapping Defines Specificities of Polyclonal Antibodies Elicited during HIV-1 BG505 Envelope Trimer Immunization. Immunity, 49, 2018
6TQJ	Crystal structure of the c14 ring of the F1FO ATP synthase from spinach chloroplast 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ATP synthase subunit c, chloroplastic, ... 著者 Kovalev, K, Gushchin, I, Vlasov, A, Round, E, Polovinkin, V, Gordeliy, V. 登録日 2019-12-16 公開日 2019-12-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Unusual features of the c-ring of F1FOATP synthases. Sci Rep, 9, 2019
6CBH	Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (8m) 分子名称: 5-(3-fluoro-1H-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid, GLYCEROL, ISOPROPYL ALCOHOL, ... 著者 Robertson, M.J, Krimmer, S.G, Jorgensen, W.L. 登録日 2018-02-02 公開日 2018-04-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor. ChemMedChem, 13, 2018
4R5T	Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ... 著者 Drinkwater, N, Mcgowan, S. 登録日 2014-08-22 公開日 2014-10-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors. J.Med.Chem., 57, 2014

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