PDB: 160289 件ウェブページステータス検索Chemie searchBIRD

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6ETV	Crystal structure of KDM4D with tetrazolhydrazide compound 2 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... 著者 Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. 登録日 2017-10-27 公開日 2019-02-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.18 Å) 主引用文献 Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases. Chemmedchem, 14, 2019
6ETU	Crystal structure of KDM4D with tetrazolhydrazide compound 7 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... 著者 Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. 登録日 2017-10-27 公開日 2019-02-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases. Chemmedchem, 14, 2019
6ETW	Crystal structure of KDM4D with tetrazolhydrazide compound 3 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... 著者 Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. 登録日 2017-10-27 公開日 2019-02-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases. Chemmedchem, 14, 2019
4N5P	Thermolysin in complex with UBTLN20 分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2013-10-10 公開日 2014-04-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors. Chemmedchem, 4, 2014
4MXJ	Thermolysin in complex with UBTLN35 分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2013-09-26 公開日 2014-04-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.349 Å) 主引用文献 Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors. Chemmedchem, 4, 2014
4MZN	Thermolysin in complex with UBTLN59 分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2013-09-30 公開日 2014-04-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.172 Å) 主引用文献 Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors. Chemmedchem, 4, 2014
6ETG	Crystal structure of KDM4D with tetrazolhydrazide compound 6 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... 著者 Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. 登録日 2017-10-26 公開日 2019-02-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.279 Å) 主引用文献 Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases. Chemmedchem, 14, 2019
4MTW	Thermolysin in complex with UBTLN36 分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2013-09-20 公開日 2014-04-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors. Chemmedchem, 4, 2014
4MWP	Thermolysin in complex with UBTLN46 分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2013-09-25 公開日 2014-04-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors. Chemmedchem, 4, 2014
4N4E	Thermolysin in complex with UBTLN58 分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2013-10-08 公開日 2014-04-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors. Chemmedchem, 4, 2014
3FZN	Intermediate analogue in benzoylformate decarboxylase 分子名称: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, CHLORIDE ION, ... 著者 Bruning, M, Berheide, M, Meyer, D, Golbik, R, Bartunik, H, Liese, A, Tittmann, K. 登録日 2009-01-26 公開日 2009-05-05 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Structural and kinetic studies on native intermediates and an intermediate analogue in benzoylformate decarboxylase reveal a least motion mechanism with an unprecedented short-lived predecarboxylation intermediate. Biochemistry, 48, 2009
4N66	Thermolysin in complex with UBTLN37 分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2013-10-11 公開日 2014-04-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors. Chemmedchem, 4, 2014
6KGO	LSD1-S2157 five-membered ring adduct model 分子名称: 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... 著者 Niwa, H, Sato, S, Umehara, T. 登録日 2019-07-12 公開日 2020-03-25 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
6KGQ	LSD1-FCPA-MPE five-membered ring adduct model 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Niwa, H, Sato, S, Handa, N, Umehara, T. 登録日 2019-07-12 公開日 2020-03-25 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
6KGN	LSD1-CoREST-S2116 N5 adduct model 分子名称: 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... 著者 Niwa, H, Sato, S, Umehara, T. 登録日 2019-07-12 公開日 2020-03-25 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
4OI5	Glycerol-free structure of thermolysin in complex with ubtln58 分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid, ... 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2014-01-18 公開日 2014-04-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors. Chemmedchem, 9, 2014
4CQE	B-Raf Kinase V600E mutant in complex with a diarylthiazole B-Raf Inhibitor 分子名称: N-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide, SLC45A3-BRAF FUSION PROTEIN 著者 Casale, E, Fasolini, M, Pulici, M, Traquandi, G, Marchionni, C, Modugno, M, Lupi, R, Amboldi, N, Colombo, N, Corti, L, Gasparri, F, Pastori, W, Scolaro, A, Donati, D, Felder, E, Galvani, A, Isacchi, A, Pesenti, E, Ciomei, M. 登録日 2014-02-14 公開日 2014-12-10 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Optimization of Diarylthiazole B-Raf Inhibitors: Identification of a Compound Endowed with High Oral Antitumor Activity, Mitigated Herg Inhibition, and Low Paradoxical Effect. Chemmedchem, 10, 2015
3ZHE	Structure of the C. elegans SMG5-SMG7 complex 分子名称: NONSENSE-MEDIATED MRNA DECAY PROTEIN, PROTEIN SMG-7 著者 Jonas, S, Weichenrieder, O, Izaurralde, E. 登録日 2012-12-21 公開日 2013-02-06 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 An Unusual Arrangement of Two 14-3-3-Like Domains in the Smg5-Smg7 Heterodimer is Required for Efficient Nonsense-Mediated Mrna Decay. Genes Dev., 27, 2013
6MZQ	TAS-120 in reversible binding mode with FGFR1 分子名称: 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Fibroblast growth factor receptor 1 著者 Kalyukina, M, Squire, C.J. 登録日 2018-11-05 公開日 2019-01-16 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 TAS-120 Cancer Target Binding: Defining Reactivity and Revealing the First Fibroblast Growth Factor Receptor 1 (FGFR1) Irreversible Structure. ChemMedChem, 14, 2019
6MZW	TAS-120 covalent complex with FGFR1 分子名称: 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Fibroblast growth factor receptor 1, SULFATE ION 著者 Kalyukina, M, Squire, C.J. 登録日 2018-11-05 公開日 2019-01-16 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 TAS-120 Cancer Target Binding: Defining Reactivity and Revealing the First Fibroblast Growth Factor Receptor 1 (FGFR1) Irreversible Structure. ChemMedChem, 14, 2019
3UOT	Crystal Structure of MDC1 FHA Domain in Complex with a Phosphorylated Peptide from the MDC1 N-terminus 分子名称: Mediator of DNA damage checkpoint protein 1 著者 Clapperton, J.A, Lloyd, J, Haire, L.F, Li, J, Smerdon, S.J. 登録日 2011-11-17 公開日 2011-12-28 最終更新日 2012-07-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The molecular basis of ATM-dependent dimerization of the Mdc1 DNA damage checkpoint mediator. Nucleic Acids Res., 40, 2012
6GXJ	X-ray structure of DiRu-1-encapsulated Apoferritin 分子名称: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ... 著者 Pica, A, Ferraro, G, Merlino, A. 登録日 2018-06-27 公開日 2019-02-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Encapsulation of the Dinuclear Trithiolato-Bridged Arene Ruthenium Complex Diruthenium-1 in an Apoferritin Nanocage: Structure and Cytotoxicity. ChemMedChem, 14, 2019
7KXZ	Active conformation of EGFR kinase in complex with BI-4020 分子名称: (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one, CHLORIDE ION, Epidermal growth factor receptor 著者 Beyett, T.S, Eck, M.J. 登録日 2020-12-06 公開日 2022-01-19 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural Analysis of the Macrocyclic Inhibitor BI-4020 Binding to EGFR Kinase. Chemmedchem, 2024
7KY0	Inactive conformation of EGFR (T790M/V948R) kinase in complex with BI-4020 分子名称: (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one, Epidermal growth factor receptor 著者 Beyett, T.S, Eck, M.J. 登録日 2020-12-06 公開日 2022-01-19 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structural Analysis of the Macrocyclic Inhibitor BI-4020 Binding to EGFR Kinase. Chemmedchem, 2024
3LOG	Crystal structure of MbtI from Mycobacterium tuberculosis 分子名称: CARBONATE ION, GLYCEROL, Isochorismate synthase/isochorismate-pyruvate lyase mbtI, ... 著者 Bulloch, E.M.M, Lott, J.S, Baker, E.N, Johnston, J.M. 登録日 2010-02-03 公開日 2011-02-09 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Inhibition studies of Mycobacterium tuberculosis salicylate synthase (MbtI). Chemmedchem, 5, 2010

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