PDB: 222415 件ウェブページステータス検索Chemie searchBIRD

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4DHT	Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening 分子名称: 14-3-3 PROTEIN SIGMA, CHLORIDE ION, GLYCEROL, ... 著者 Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. 登録日 2012-01-30 公開日 2013-07-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
4K8G	Crystal structure of D-Mannonate dehydratase from Novosphingobium aromaticivorans mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G) 分子名称: GLYCEROL, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ... 著者 Lukk, T, Wichelecki, D, Gerlt, J.A, Nair, S.K. 登録日 2013-04-18 公開日 2013-05-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Crystal structure of D-Mannonate dehydratase from Novosphingobium aromaticivorans mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G) To be Published
4DGL	Crystal Structure of the CK2 Tetrameric Holoenzyme 分子名称: Casein kinase II subunit alpha, Casein kinase II subunit beta, ZINC ION 著者 Lolli, G, Battistutta, R. 登録日 2012-01-26 公開日 2012-05-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural determinants of protein kinase CK2 regulation by autoinhibitory polymerization. Acs Chem.Biol., 7, 2012
4DIA	CRYSTAL STRUCTURE OF THE D248N mutant of 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE FROM SPHINGOMONAS PAUCIMOBILIS complexed with substrate at pH 4.6 分子名称: 2-pyrone-4,6-dicarbaxylate hydrolase 著者 Malashkevich, V.N, Toro, R, Hobbs, M.E, Raushel, F.M, Almo, S.C. 登録日 2012-01-11 公開日 2012-10-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation. Biochemistry, 51, 2012
4K9I	CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with Norharmane 分子名称: ADENOSINE, DIMETHYL SULFOXIDE, Norharmane, ... 著者 Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) 登録日 2013-04-19 公開日 2013-05-22 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with Norharmane To be Published
4DLJ	Human p38 MAP kinase in complex with RL163 分子名称: 2-phenyl-N~4~-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 著者 Gruetter, C, Termathe, M. 登録日 2012-02-06 公開日 2013-01-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase. Plos One, 7, 2012
4KQG	Crystal structure of CobT E174A complexed with DMB 分子名称: 1,2-ETHANEDIOL, 5,6-DIMETHYLBENZIMIDAZOLE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase, ... 著者 Chan, C.H, Newmister, S.A, Taylor, K.C, Claas, K.R, Rayment, I, Escalante-Semerena, J.C. 登録日 2013-05-15 公開日 2014-03-12 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Dissecting cobamide diversity through structural and functional analyses of the base-activating CobT enzyme of Salmonella enterica. Biochim.Biophys.Acta, 1840, 2014
4DNA	CRYSTAL STRUCTURE OF putative glutathione reductase from Sinorhizobium meliloti 1021 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Probable glutathione reductase 著者 Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) 登録日 2012-02-08 公開日 2012-03-21 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 CRYSTAL STRUCTURE OF putative glutathione reductase from Sinorhizobium meliloti 1021 To be Published
4KR4	Salmonella typhi OmpF complex with Ampicillin 分子名称: (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, Outer membrane protein F 著者 Madhuranayaki, T, Balasubramaniam, D, Krishnaswamy, S. 登録日 2013-05-16 公開日 2014-05-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.8 Å) 主引用文献 Salmonella typhi OmpF complex with Ampicillin To be published
4KD3	Crystal structure of Staphylococcal nuclease variant Delta+PHS L25A/V66A/I92A at cryogenic temperature 分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease 著者 Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. 登録日 2013-04-24 公開日 2013-05-08 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Pressure effects in proteins To be Published
4KTA	Crystal structure of Staphylococcal nuclease variant Delta+PHS R105Q at cryogenic temperatures 分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease 著者 Bell-Upp, P.C, Schlessman, J.L, Garcia-Moreno E, B. 登録日 2013-05-20 公開日 2013-06-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal structure of Staphylococcal nuclease variant Delta+PHS R105Q at cryogenic temperatures To be Published
4DSA	Crystal Structure of DPP-IV with Compound C1 分子名称: 4-[({[(2R)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide, Dipeptidyl peptidase 4 著者 Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K. 登録日 2012-02-18 公開日 2013-02-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.25 Å) 主引用文献 Crystal Structure of DPP-IV with Compound C1 To be Published
4DU9	Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/V74A at cryogenic temperature 分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease 著者 Caro, J.A, Clark, I, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. 登録日 2012-02-21 公開日 2012-03-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Pressure effects in proteins To be Published
4M3M	Influenza Neuraminidase in complex with a stereomutated analogue of Oseltamivir carboxylate 分子名称: (3R,4S,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 Kerry, P.S. 登録日 2013-08-06 公開日 2014-02-12 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Synthesis, structure and inhibitory activity of a stereoisomer of oseltamivir carboxylate. Org.Biomol.Chem., 12, 2014
4DV9	Crystal structure of BACE1 with its inhibitor 分子名称: Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-AMINO-3-OXOPROPYL)-2,13-DIBENZYL-12,22-DIHYDROXY-3,5,17-TRIMETHYL-8-(2-METHYLPROPYL)-4,7,10,15,18,21-HEXAOXO-19-(PROPAN-2-YL)-3,6,9,14,17,20-HEXAAZATRICOSAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE (NON-PREFERRED NAME), SULFATE ION 著者 Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T. 登録日 2012-02-23 公開日 2013-01-16 最終更新日 2021-09-15 実験手法 X-RAY DIFFRACTION (2.076 Å) 主引用文献 Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
4DVC	Structural and functional studies of TcpG, the Vibrio cholerae DsbA disulfide-forming protein required for pilus and cholera toxin production 分子名称: DIMETHYL SULFOXIDE, SULFATE ION, Thiol:disulfide interchange protein DsbA 著者 Walden, P.M, Martin, J.L. 登録日 2012-02-23 公開日 2012-10-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 The 1.2 A resolution crystal structure of TcpG, the Vibrio cholerae DsbA disulfide-forming protein required for pilus and cholera-toxin production Acta Crystallogr.,Sect.D, 68, 2012
4M4U	Structural evaluation D84A mutant of the aspergillus fumigatus kdnase (sialidase) 分子名称: CHLORIDE ION, Extracellular sialidase/neuraminidase, putative, ... 著者 Telford, J.C, Taylor, G.L. 登録日 2013-08-07 公開日 2014-09-17 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Active site mutants of a fungal KDNase To be Published
4DVQ	Structure of human aldosterone synthase, CYP11B2, in complex with deoxycorticosterone 分子名称: Cytochrome P450 11B2, mitochondrial, DESOXYCORTICOSTERONE, ... 著者 Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W. 登録日 2012-02-23 公開日 2013-01-30 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Structural insights into aldosterone synthase substrate specificity and targeted inhibition. Mol.Endocrinol., 27, 2013
4LRJ	Bacterial Effector NleH1 Kinase Domain with AMPPNP and Mg2+ 分子名称: Effector NleH1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) 登録日 2013-07-19 公開日 2014-01-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.619 Å) 主引用文献 NleH defines a new family of bacterial effector kinases. Structure, 22, 2014
4DA8	Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with 8-bromoguanosine 分子名称: 8-bromoguanosine, Purine nucleoside phosphorylase deoD-type 著者 Martins, N.H, Giuseppe, P.O, Meza, A.N, Murakami, M.T. 登録日 2012-01-12 公開日 2012-09-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases. Plos One, 7, 2012
4M7Y	Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog 分子名称: ADENOSINE-5'-DIPHOSPHATE, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide, PHOSPHATE ION, ... 著者 Mottaghi, K, Hong, B, Tempel, W, Park, H, Structural Genomics Consortium (SGC) 登録日 2013-08-12 公開日 2014-09-03 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product. ACS Infect Dis, 2, 2016
4MB6	Crystal structure of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis. 分子名称: Adenine phosphoribosyltransferase, SODIUM ION 著者 Pavithra, G.C, Kim, J, Hegde, R.P, Almo, S.C, Ramagopal, U.A, New York Structural Genomics Research Consortium (NYSGRC) 登録日 2013-08-19 公開日 2013-09-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Crystal structure of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis To be published
4MAY	Crystal structure of an immune complex 分子名称: HY.1B11 TCR alpha chain, MHC class II HLA-DQ-alpha chain, MHC class II antigen, ... 著者 Sethi, D.K, Wucherpfennig, K.W. 登録日 2013-08-18 公開日 2013-10-23 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crossreactivity of a human autoimmune TCR is dominated by a single TCR loop. Nat Commun, 4, 2013
4LP4	Crystal structure of the human RAGE VC1 fragment in space group P62 分子名称: Advanced glycosylation end product-specific receptor, SODIUM ION 著者 Yatime, L, Andersen, G.R. 登録日 2013-07-15 公開日 2013-10-16 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural insights into the oligomerization mode of the human receptor for advanced glycation end-products. Febs J., 280, 2013
4ME9	Crystal structure of a transcriptional regulator, TetR family (BCE_2991) from Bacillus cereus ATCC 10987 at 2.50 A resolution 分子名称: CHLORIDE ION, PHOSPHATE ION, Transcriptional regulator, ... 著者 Joint Center for Structural Genomics (JCSG) 登録日 2013-08-25 公開日 2013-09-25 最終更新日 2023-02-01 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure of a transcriptional regulator, TetR family (BCE_2991) from Bacillus cereus ATCC 10987 at 2.50 A resolution To be published

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