PDB: 17012 件ウェブページステータス検索Chemie searchBIRD

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4IAD	Low temperature X-ray Structure OF cAMP dependent protein kinase A in complex with high Mg2+ concentration, ADP and phosphorylated peptide pSP20 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphorylated peptide pSP20, ... 著者 Gerlits, O, Kovalevsky, A. 登録日 2012-12-06 公開日 2013-06-12 最終更新日 2016-09-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20. Biochemistry, 52, 2013
2PUU	Crystal structure of p38 complex with 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(6-morpholin-4-ylmethyl-pyridin-3-yl)naphthalen-1-yl]urea 分子名称: 5-TERT-BUTYL-2-(4-METHYLPHENYL)-3-{[({4-[6-(MORPHOLIN-4-YLMETHYL)PYRIDIN-3-YL]-1-NAPHTHYL}AMINO)CARBONYL]AMINO}-1H-PYRAZOL-2-IUM, Mitogen-activated protein kinase 14 著者 Qian, K.C. 登録日 2007-05-09 公開日 2008-05-20 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A new class of p38 MAP kinase inhibitors based on the pyrazole-naphthyl urea scaffold To be Published
5X4X	Mutant human thymidylate synthase A191K crystallized in a sulfate-containing condition 分子名称: SULFATE ION, Thymidylate synthase 著者 Chen, D, Jansson, A, Larsson, A, Nordlund, P. 登録日 2017-02-14 公開日 2017-06-28 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
5CQ3	Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 6-Hydroxypicolinic acid (SGC - Diamond I04-1 fragment screening) 分子名称: 1,2-ETHANEDIOL, 6-hydroxypyridine-2-carboxylic acid, Bromodomain adjacent to zinc finger domain protein 2B, ... 著者 Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2015-07-21 公開日 2015-09-09 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.925 Å) 主引用文献 Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 6-Hydroxypicolinic acid (SGC - Diamond I04-1 fragment screening) To be published
5X69	Human thymidylate synthase with a fragment bound in the dimer interface 分子名称: 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase 著者 Chen, D, Jansson, A, Larsson, A, Nordlund, P. 登録日 2017-02-21 公開日 2017-06-28 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
5X6V	Crystal structure of human heteroheptameric complex 分子名称: ACETATE ION, Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, ... 著者 Yonehara, R, Nada, S, Nakai, T, Nakai, M, Kitamura, A, Ogawa, A, Nakatsumi, H, Nakayama, K.I, Li, S, Standley, D.M, Yamashita, E, Nakagawa, A, Okada, M. 登録日 2017-02-23 公開日 2017-12-06 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Structural basis for the assembly of the Ragulator-Rag GTPase complex. Nat Commun, 8, 2017
5CUD	Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 6-CHLOROPURINE (SGC - Diamond I04-1 fragment screening) 分子名称: 1,2-ETHANEDIOL, 6-chloro-9H-purine, Bromodomain adjacent to zinc finger domain protein 2B 著者 Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2015-07-24 公開日 2015-09-09 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 6-CHLOROPURINE (SGC - Diamond I04-1 fragment screening) To be published
4N3X	Crystal structure of Rabex-5 CC domain 分子名称: Rab5 GDP/GTP exchange factor 著者 Zhang, Z, Zhang, T, Ding, J. 登録日 2013-10-08 公開日 2014-07-23 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Molecular mechanism for Rabex-5 GEF activation by Rabaptin-5 Elife, 3, 2014
5XUP	Crystal structure of TRF1 and TERB1 分子名称: Telomere repeats-binding bouquet formation protein 1, Telomeric repeat-binding factor 1 著者 Long, J, Huang, C, Wu, J, Lei, M. 登録日 2017-06-24 公開日 2017-11-01 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Telomeric TERB1-TRF1 interaction is crucial for male meiosis. Nat. Struct. Mol. Biol., 24, 2017
5XHY	BRD4 bound with compound Bdi1 分子名称: Bromodomain-containing protein 4, ~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide 著者 Xiong, B, Cao, D, Li, Y. 登録日 2017-04-25 公開日 2018-05-02 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.976 Å) 主引用文献 BRD4 bound with compound Bdi1 To Be Published
6FLV	Crystal structure of ERK2 in complex with an adenosine derivative 分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Gelin, M, Labesse, G. 登録日 2018-01-29 公開日 2019-02-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 None To be published
4JXH	Complexe of ARNO Sec7 domain with the protein-protein interaction inhibitor N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide at pH 8.5 分子名称: Cytohesin-2, N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide, PHOSPHATE ION 著者 Hoh, F, Rouhana, J. 登録日 2013-03-28 公開日 2013-10-23 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Fragment-based identification of a locus in the Sec7 domain of Arno for the design of protein-protein interaction inhibitors J.Med.Chem., 56, 2013
5XMC	Crystal structure of the auto-inhibited Nedd4 family E3 ligase Itch 分子名称: E3 ubiquitin-protein ligase Itchy 著者 Shan, Z, Wen, W. 登録日 2017-05-13 公開日 2017-08-02 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Allosteric auto-inhibition and activation of the Nedd4 family E3 ligase Itch EMBO Rep., 18, 2017
5XPY	Structural basis of kindlin-mediated integrin recognition and activation 分子名称: ACETATE ION, Fermitin family homolog 2, GLYCEROL 著者 Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z. 登録日 2017-06-05 公開日 2017-07-26 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.099 Å) 主引用文献 Structural basis of kindlin-mediated integrin recognition and activation Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5XPZ	Structural basis of kindlin-mediated integrin recognition and activation 分子名称: Fermitin family homolog 2, GLYCEROL 著者 Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z. 登録日 2017-06-05 公開日 2017-07-26 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.601 Å) 主引用文献 Structural basis of kindlin-mediated integrin recognition and activation Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5X4W	Mutant human thymidylate synthase A191K crystallized in a sulfate-free condition 分子名称: PHOSPHATE ION, Thymidylate synthase 著者 Chen, D, Jansson, A, Larsson, A, Nordlund, P. 登録日 2017-02-14 公開日 2017-06-28 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
6DAA	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate 著者 Sevrioukova, I.F. 登録日 2018-05-01 公開日 2019-04-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
6DAJ	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, GLUTAMINE, GLYCEROL, ... 著者 Sevrioukova, I.F. 登録日 2018-05-01 公開日 2019-04-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
6G4L	17beta-hydroxysteroid Dehydrogenase Type 14 Mutant Y253A in Complex With a Non-steroidal Inhibitor 分子名称: 17-beta-hydroxysteroid dehydrogenase 14, DIMETHYL SULFOXIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Badran, M, Klebe, G, Heine, A, Marchais-Oberwinkler, S. 登録日 2018-03-27 公開日 2019-04-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.444 Å) 主引用文献 Mutational and structural studies uncover crucial amino acids determining activity and stability of 17beta-HSD14 J.Steroid Biochem.Mol.Biol., 2019
4DKI	Structural Insights into the Anti- Methicillin-Resistant Staphylococcus aureus (MRSA) Activity of Ceftobiprole 分子名称: (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyrrolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, BICARBONATE ION, CADMIUM ION, ... 著者 Lovering, A.L, Gretes, M.C, Strynadka, N.C.J. 登録日 2012-02-03 公開日 2012-08-01 最終更新日 2012-10-03 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural Insights into the Anti-methicillin-resistant Staphylococcus aureus (MRSA) Activity of Ceftobiprole. J.Biol.Chem., 287, 2012
5YY8	Crystal structure of the Kelch domain of human NS1-BP 分子名称: Influenza virus NS1A-binding protein 著者 Guo, L, Liu, Y, Liang, H. 登録日 2017-12-08 公開日 2018-03-14 実験手法 X-RAY DIFFRACTION (1.979 Å) 主引用文献 Crystal structure of the Kelch domain of human NS1-binding protein at 1.98 angstrom resolution. Acta Crystallogr F Struct Biol Commun, 74, 2018
5Z06	Crystal structure of beta-1,2-glucanase from Parabacteroides distasonis 分子名称: BDI_3064 protein, CALCIUM ION, GLYCEROL 著者 Shimizu, H, Nakajima, M, Miyanaga, A, Takahashi, Y, Tanaka, N, Kobayashi, K, Sugimoto, N, Nakai, H, Taguchi, H. 登録日 2017-12-18 公開日 2018-05-30 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Characterization and Structural Analysis of a Novel exo-Type Enzyme Acting on beta-1,2-Glucooligosaccharides from Parabacteroides distasonis Biochemistry, 57, 2018
6C1U	MBD2 in complex with a deoxy-oligonucleotide 分子名称: 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION 著者 Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) 登録日 2018-01-05 公開日 2018-02-14 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA. J. Biol. Chem., 293, 2018
6BMM	Structure of human DHHC20 palmitoyltransferase, space group P21 分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,5S)-hexane-2,5-diol, PHOSPHATE ION, ... 著者 Rana, M.S, Lee, C.-J, Banerjee, A. 登録日 2017-11-15 公開日 2018-01-24 最終更新日 2018-03-28 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Fatty acyl recognition and transfer by an integral membraneS-acyltransferase. Science, 359, 2018
6FXV	Crystal structure of ERK2 in complex with an adenosine derivative 分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Gelin, M, Labesse, G. 登録日 2018-03-09 公開日 2019-03-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 None To be published

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