PDB: 435 件ウェブページステータス検索Chemie searchBIRD

---

7EAT	Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 1 分子名称: 1,3-dihydro-2H-indol-2-one, SULFATE ION, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, ... 著者 Orita, T, Doi, S, Iwanaga, T, Adachi, T. 登録日 2021-03-08 公開日 2021-08-04 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg.Med.Chem., 44, 2021
7EBB	Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 2 分子名称: 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Orita, T, Doi, S, Iwanaga, T, Adachi, T. 登録日 2021-03-09 公開日 2021-08-04 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg.Med.Chem., 44, 2021
7EA0	Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 1 分子名称: 1,3-dihydro-2H-indol-2-one, ACETATE ION, CHLORIDE ION, ... 著者 Orita, T, Doi, S, Iwanaga, T, Adachi, T. 登録日 2021-03-05 公開日 2021-08-04 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg.Med.Chem., 44, 2021
7EBH	Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 13 分子名称: 5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine, ACETATE ION, CHLORIDE ION, ... 著者 Orita, T, Doi, S, Iwanaga, T, Adachi, T. 登録日 2021-03-09 公開日 2021-08-04 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg.Med.Chem., 44, 2021
7EAS	Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 2 分子名称: 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ACETATE ION, CHLORIDE ION, ... 著者 Orita, T, Doi, S, Iwanaga, T, Adachi, T. 登録日 2021-03-08 公開日 2021-08-04 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg.Med.Chem., 44, 2021
4E01	Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with AMPPNP 分子名称: 3,6-dichloro-1-benzothiophene-2-carboxylic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. 登録日 2012-03-02 公開日 2013-03-27 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes To be Published
4E00	Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with ADP 分子名称: 3,6-dichloro-1-benzothiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. 登録日 2012-03-01 公開日 2013-03-27 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with ADP To be Published
4E02	Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with AMPPNP 分子名称: (S)-2-chloro-3-phenylpropanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. 登録日 2012-03-02 公開日 2013-03-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1547 Å) 主引用文献 Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes To be Published
4DZY	Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with ADP 分子名称: (S)-2-chloro-3-phenylpropanoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. 登録日 2012-03-01 公開日 2013-03-27 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.101 Å) 主引用文献 Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase. Proc.Natl.Acad.Sci.USA, 110, 2013
7RZW	CryoEM structure of Arabidopsis thaliana phytochrome B 分子名称: 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome B 著者 Li, H, Burgie, E.S, Vierstra, R.D, Li, H. 登録日 2021-08-27 公開日 2022-04-13 最終更新日 2022-04-20 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Plant phytochrome B is an asymmetric dimer with unique signalling potential. Nature, 604, 2022
6J90	Crystal Structure of GyraseB N-Terminal Domain complex with ATP from Salmonella Typhi at 2.2A Resolution 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Kaur, G, Sachdeva, E, Tiwari, P, Gupta, D, Ethayathulla, A.S, Kaur, P. 登録日 2019-01-21 公開日 2020-01-22 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal Structure of GyraseB N-Terminal Domain complex with ATP from Salmonella Typhi at 2.2A Resolution To Be Published
8C5V	Chemotaxis core signalling unit from E protein lysed E. coli cells 分子名称: Chemotaxis protein CheA, Chemotaxis protein CheW, Methyl-accepting chemotaxis protein I 著者 Cassidy, C.K, Qin, Z, Zhang, P. 登録日 2023-01-10 公開日 2023-09-13 最終更新日 2023-11-29 実験手法 ELECTRON MICROSCOPY (12 Å) 主引用文献 Structure of the native chemotaxis core signaling unit from phage E-protein lysed E. coli cells. Mbio, 14, 2023
7N0E	Co-complex of the histidine kinase region of RetS and the dimerization and histidine phosphotransfer domain of GacS 分子名称: Histidine kinase 著者 Ryan Kaler, K, Schubot, F.D, Nix, J. 登録日 2021-05-25 公開日 2022-03-09 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 RetS inhibits Pseudomonas aeruginosa biofilm formation by disrupting the canonical histidine kinase dimerization interface of GacS. J.Biol.Chem., 297, 2021
5UHT	Structure of the Thermotoga maritima HK853-BeF3-RR468 complex at pH 5.0 分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... 著者 Liu, Y, Rose, J, Jiang, L, Zhou, P. 登録日 2017-01-12 公開日 2017-12-27 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.68 Å) 主引用文献 A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases. Nat Commun, 8, 2017
3LNU	Crystal structure of ParE subunit 分子名称: Topoisomerase IV subunit B 著者 Jung, H.Y, Heo, Y.-S. 登録日 2010-02-03 公開日 2011-02-16 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of ParE subunit To be Published
3LPS	Crystal structure of parE 分子名称: NOVOBIOCIN, Topoisomerase IV subunit B 著者 Jung, H.Y, Heo, Y.-S. 登録日 2010-02-05 公開日 2011-02-16 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Crystal structure of parE To be Published
7SSI	CRYSTAL STRUCTURE OF THE DESK:DESR-Q10A COMPLEX IN THE PHOSPHOTRANSFER STATE 分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor histidine kinase DesK, ... 著者 Trajtenberg, F, Buschiazzo, A. 登録日 2021-11-11 公開日 2022-11-16 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (3.41 Å) 主引用文献 An allosteric switch ensures efficient unidirectional information transmission by the histidine kinase DesK from Bacillus subtilis. Sci.Signal., 16, 2023
6RGZ	Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 6.5 分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... 著者 Mideros-Mora, C, Casino, P, Marina, A. 登録日 2019-04-18 公開日 2020-02-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases. Nat Commun, 11, 2020
6RH8	Revisiting pH-gated conformational switch. Complex HK853 mutant H260A -RR468 mutant D53A pH 5.3 分子名称: ADENOSINE-5'-DIPHOSPHATE, Response regulator, SULFATE ION, ... 著者 Mideros-Mora, C, Casino, P, Marina, A. 登録日 2019-04-19 公開日 2020-02-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases. Nat Commun, 11, 2020
7SSJ	Crystal structure of the DesK-DesR complex in the phosphatase state 分子名称: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... 著者 Trajtenberg, F, Buschiazzo, A. 登録日 2021-11-11 公開日 2022-11-16 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 An allosteric switch ensures efficient unidirectional information transmission by the histidine kinase DesK from Bacillus subtilis. Sci.Signal., 16, 2023
6PAJ	Structure of the SrrAB Histidine Kinase DHp-CA domain 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Sensor protein SrrB 著者 Lopez Redondo, M.L, Marina Moreno, A. 登録日 2019-06-11 公開日 2020-04-22 最終更新日 2020-06-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The SrrAB two-component system regulatesStaphylococcus aureuspathogenicity through redox sensitive cysteines. Proc.Natl.Acad.Sci.USA, 117, 2020
6QRJ	Crystal structure of ShkA full-length in complex with AMPPNP 分子名称: Hybrid kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Dubey, B.N, Schirmer, T. 登録日 2019-02-19 公開日 2020-01-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Hybrid histidine kinase activation by cyclic di-GMP-mediated domain liberation. Proc.Natl.Acad.Sci.USA, 117, 2020
1QZR	CRYSTAL STRUCTURE OF THE ATPASE REGION OF SACCHAROMYCES CEREVISIAE TOPOISOMERASE II BOUND TO ICRF-187 (DEXRAZOXANE) 分子名称: (S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BIS-2,6-PIPERAZINEDIONE, DNA topoisomerase II, MAGNESIUM ION, ... 著者 Classen, S, Olland, S, Berger, J.M. 登録日 2003-09-17 公開日 2003-09-30 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure of the topoisomerase II ATPase region and its mechanism of inhibition by the chemotherapeutic agent ICRF-187 Proc.Natl.Acad.Sci.USA, 100, 2003
1PVG	Crystal Structure of the ATPase region of Saccharomyces Cerevisiae topoisomerase II 分子名称: DNA topoisomerase II, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Classen, S, Olland, S, Berger, J.M. 登録日 2003-06-27 公開日 2003-08-26 最終更新日 2017-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure of the topoisomerase II ATPase region and its mechanism of inhibition by the chemotherapeutic agent ICRF-187 Proc.Natl.Acad.Sci.USA, 100, 2003
6DK8	RetS kinase region without cobalt 分子名称: NICKEL (II) ION, RetS (Regulator of Exopolysaccharide and Type III Secretion) 著者 Mancl, J.M, Schubot, F.D. 登録日 2018-05-29 公開日 2019-03-20 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.8 Å) 主引用文献 Helix Cracking Regulates the Critical Interaction between RetS and GacS in Pseudomonas aeruginosa. Structure, 27, 2019

<56789101112131415161718>