PDB: 245011 件ウェブページステータス検索Chemie searchBIRD

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3IOB	Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.80 Ang resolution in complex with 5'-deoxy-5'-thioadenosine 分子名称: 5'-thioadenosine, ETHANOL, GLYCEROL, ... 著者 Ciulli, A, Scott, D.E, Abell, C. 登録日 2009-08-14 公開日 2009-12-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A Fragment-Based Approach to Probing Adenosine Recognition Sites by Using Dynamic Combinatorial Chemistry Chembiochem, 10, 2009
4Q1N	Structure-based design of 4-hydroxy-3,5-substituted piperidines as direct renin inhibitors 分子名称: (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... 著者 Schiering, N, D'Arcy, A, Irie, O, Yokokawa, F. 登録日 2014-04-04 公開日 2014-08-06 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors. ACS Med Chem Lett, 5, 2014
4BA1	Archaeal exosome (Rrp4-Rrp41(D182A)-Rrp42) bound to inorganic phosphate 分子名称: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, PHOSPHATE ION, ... 著者 Lorentzen, E, Conti, E. 登録日 2012-09-10 公開日 2012-10-03 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of a 9-Subunit Archaeal Exosome in Pre-Catalytic States of the Phosphorolytic Reaction. Archaea, 2012, 2012
5AYA	Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to L-captopril 分子名称: L-CAPTOPRIL, Metallo-beta-lactamase, SODIUM ION, ... 著者 Wachino, J, Arakawa, Y. 登録日 2015-08-12 公開日 2016-05-11 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to L-captopril To Be Published
5XUR	Crystal Structure of Rv2466c C22S Mutant 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Thioredoxin-like reductase Rv2466c 著者 Zhang, X, Li, H. 登録日 2017-06-25 公開日 2018-03-14 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.996 Å) 主引用文献 Identification of a Mycothiol-Dependent Nitroreductase from Mycobacterium tuberculosis. ACS Infect Dis, 4, 2018
6E99	Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor. 分子名称: 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha 著者 Judge, R.A, Hobson, A.D. 登録日 2018-07-31 公開日 2018-11-14 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design. J. Med. Chem., 61, 2018
2WB4	activated diguanylate cyclase PleD in complex with c-di-GMP 分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), BERYLLIUM TRIFLUORIDE ION, DIGUANYLATE CYCLASE, ... 著者 Wassmann, P, Schirmer, T. 登録日 2009-02-20 公開日 2010-04-21 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal Structure of Activated Pled, Identification of Dimerization and Catalysis Relevant Regulatory Mechanisms To be Published
6KNL	Uridine and triphosphate-bound UGPase from acinetobacter baumannii 分子名称: 1,2-ETHANEDIOL, SULFATE ION, TRIPHOSPHATE, ... 著者 Lee, J.H, Kang, L.W. 登録日 2019-08-05 公開日 2020-08-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 Uridine and triphosphate-bound UGPase from acinetobacter baumannii To be published
5B6T	Catalytic domain of Coprinopsis cinerea GH62 alpha-L-arabinofuranosidase complexed with Pb 分子名称: CALCIUM ION, GLYCEROL, Glycosyl hydrolase family 62 protein, ... 著者 Tonozuka, T. 登録日 2016-06-01 公開日 2016-09-07 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Structure of the Catalytic Domain of alpha-L-Arabinofuranosidase from Coprinopsis cinerea, CcAbf62A, Provides Insights into Structure-Function Relationships in Glycoside Hydrolase Family 62 Appl. Biochem. Biotechnol., 181, 2017
5XRV	Crystal Structure of Transketolase in complex with TPP_V and fructose-6-phosphate from Pichia Stipitis 分子名称: 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Li, T.L, Hsu, N.S, Wang, Y.L. 登録日 2017-06-09 公開日 2018-06-13 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions. Chembiochem, 19, 2018
6A20	Crystal Structure of auto-inhibited Kinesin-3 KIF13B 分子名称: ADENOSINE-5'-DIPHOSPHATE, HEXAETHYLENE GLYCOL, Kinesin family member 13B, ... 著者 Ren, J.Q, Wang, S, Feng, W. 登録日 2018-06-08 公開日 2018-11-21 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Coiled-coil 1-mediated fastening of the neck and motor domains for kinesin-3 autoinhibition. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7E6C	Crystal structure of L-cycloserine-bound form of cysteine desulfurase SufS C361A from Bacillus subtilis 分子名称: (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Cysteine desulfurase SufS, ... 著者 Nakamura, R, Takahashi, Y, Fujishiro, T. 登録日 2021-02-22 公開日 2022-03-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms. Febs J., 289, 2022
3IGP	Structure of inhibitor binding to Carbonic Anhydrase II 分子名称: 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Gitto, R, Agnello, S, Brynda, J, Mader, P, Supuran, C.T, Chimirri, A. 登録日 2009-07-28 公開日 2010-03-09 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Identification of 3,4-Dihydroisoquinoline-2(1H)-sulfonamides as Potent Carbonic Anhydrase Inhibitors: Synthesis, Biological Evaluation, and Enzyme-Ligand X-ray Studies. J.Med.Chem., 2010
4Q62	Crystal Structure of Leucine-rich repeat- and Coiled coil-containing Protein from Legionella pneumophila 分子名称: 1,2-ETHANEDIOL, Leucine-rich repeat-and coiled coil-containing protein, SULFATE ION 著者 Kim, Y, Hatzos-Skintges, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) 登録日 2014-04-20 公開日 2014-05-07 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.898 Å) 主引用文献 Crystal Structure of Leucine-rich repeat- and Coiled coil-containing Protein from Legionella pneumophila To be Published
4XM7	Anthrax toxin lethal factor with ligand-induced binding pocket 分子名称: 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide, ... 著者 Maize, K.M, Finzel, B.C. 登録日 2015-01-14 公開日 2015-11-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Ligand-induced expansion of the S1' site in the anthrax toxin lethal factor. Febs Lett., 589, 2015
5XN7	Crystal structure of the effector domain RID of Vibrio vulnificus MARTX toxin 分子名称: 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... 著者 Yin, L, Zhu, Y. 登録日 2017-05-18 公開日 2017-09-27 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structure of a MARTX toxin effector domain To Be Published
3IKD	Structure-Based Design of Novel PIN1 Inhibitors (I) 分子名称: (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 著者 Matthews, D, Greasley, S, Ferre, R, Parge, H. 登録日 2009-08-05 公開日 2009-09-22 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-based design of novel human Pin1 inhibitors (I). Bioorg.Med.Chem.Lett., 19, 2009
4XY9	Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-amine-9H-purine ligand 分子名称: 1,2-ETHANEDIOL, 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine, Bromodomain-containing protein 4 著者 Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) 登録日 2015-02-02 公開日 2015-03-11 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain. J.Med.Chem., 58, 2015
3F5J	Semi-active E176Q mutant of rice BGlu1, a plant exoglucanase/beta-glucosidase 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase, SULFATE ION, ... 著者 Chuenchor, W, Ketudat Cairns, J.R, Pengthaisong, S, Robinson, R.C, Yuvaniyama, J, Chen, C.-J. 登録日 2008-11-03 公開日 2009-11-03 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 The structural basis of oligosaccharide binding by rice BGlu1 beta-glucosidase J.Struct.Biol., 173, 2011
3IPB	Human Transthyretin (TTR) complexed with a palindromic bivalent amyloid inhibitor (11 carbon linker). 分子名称: 2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid, Transthyretin 著者 Kolstoe, S.E, Wood, S.P, Pepys, M.B. 登録日 2009-08-17 公開日 2010-11-17 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Trapping of palindromic ligands within native transthyretin prevents amyloid formation. Proc.Natl.Acad.Sci.USA, 107, 2010
2W1J	CRYSTAL STRUCTURE OF SORTASE C-1 (SRTC-1) from Streptococcus pneumoniae 分子名称: GLYCEROL, PUTATIVE SORTASE 著者 Manzano, C, Contreras-Martel, C, El Mortaji, L, Izore, T, Fenel, D, Vernet, T, Schoehn, G, Di Guilmi, A.M, Dessen, A. 登録日 2008-10-17 公開日 2008-12-23 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Sortase-Mediated Pilus Fiber Biogenesis in Streptococcus Pneumoniae. Structure, 16, 2008
3FFG	Factor XA in complex with the inhibitor (R)-6-(2'-((3- HYDROXYPYRROLIDIN-1-YL)METHYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN- 7(4H)-ONE 分子名称: (R)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one, Coagulation factor X, heavy chain, ... 著者 Alexander, R.A. 登録日 2008-12-03 公開日 2009-12-08 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Phenyltriazolinones as potent factor Xa inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
5BST	Crystal structure of 4-coumarate:CoA ligase complexed with coumaroyl adenylate 分子名称: 4-coumarate--CoA ligase 2, 5'-O-[(R)-hydroxy{[(2E)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine, MAGNESIUM ION 著者 Li, Z, Nair, S.K. 登録日 2015-06-02 公開日 2016-05-11 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase. Structure, 23, 2015
3FGW	One chain form of the 66.3 kDa protein 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, IODIDE ION, ... 著者 Lakomek, K, Dickmanns, A, Ficner, R. 登録日 2008-12-08 公開日 2009-09-15 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Initial insight into the function of the lysosomal 66.3 kDa protein from mouse by means of X-ray crystallography Bmc Struct.Biol., 9, 2009
3IOE	Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.95 Ang resolution in complex with 5'-deoxy-5'-((R)-3,4-dihydroxybutylthio)-adenosine 分子名称: 5'-S-[(3R)-3,4-dihydroxybutyl]-5'-thioadenosine, ETHANOL, GLYCEROL, ... 著者 Ciulli, A, Scott, D.E, Abell, C. 登録日 2009-08-14 公開日 2009-12-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 A Fragment-Based Approach to Probing Adenosine Recognition Sites by Using Dynamic Combinatorial Chemistry Chembiochem, 10, 2009

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