2VUZ
 
 | | Crystal structure of Codakine in complex with biantennary nonasaccharide at 1.7A resolution | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CODAKINE, ... | | 著者 | Gourdine, J.P, Cioci, G.C, Miguet, L, Unverzagt, C, Varrot, A, Gauthier, C, Smith-Ravin, E.J, Imberty, A. | | 登録日 | 2008-06-02 | | 公開日 | 2008-08-05 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | High Affinity Interaction between a Bivalve C-Type Lectin and a Biantennary Complex-Type N-Glycan Revealed by Crystallography and Microcalorimetry.
J.Biol.Chem., 283, 2008
|
|
1NAV
 | | Thyroid Receptor Alpha in complex with an agonist selective for Thyroid Receptor Beta1 | | 分子名称: | SULFATE ION, hormone receptor alpha 1, THRA1, ... | | 著者 | Ye, L, Li, Y.L, Mellstrom, K, Mellin, C, Bladh, L.G, Koehler, K, Garg, N, Garcia Collazo, A.M, Litten, C, Husman, B, Persson, K, Ljunggren, J, Grover, G, Sleph, P.G, George, R, Malm, J. | | 登録日 | 2002-11-29 | | 公開日 | 2003-06-17 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1.
J.Med.Chem., 46, 2003
|
|
1NF6
 | | X-ray structure of the Desulfovibrio desulfuricans bacterioferritin: the diiron site in different catalytic states ("cycled" structure: reduced in solution and allowed to reoxidise before crystallisation) | | 分子名称: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, FE (III) ION, GLYCEROL, ... | | 著者 | Macedo, S, Romao, C.V, Mitchell, E, Matias, P.M, Liu, M.Y, Xavier, A.V, LeGall, J, Teixeira, M, Lindley, P, Carrondo, M.A. | | 登録日 | 2002-12-13 | | 公開日 | 2003-04-01 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | The nature of the di-iron site in the bacterioferritin from
Desulfovibrio desulfuricans
NAT.STRUCT.BIOL., 10, 2003
|
|
3OBX
 | |
1K7U
 | | Crystal Structure Analysis of crosslinked-WGA3/GlcNAcbeta1,4GlcNAc complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, agglutinin isolectin 3 | | 著者 | Muraki, M, Ishimura, M, Harata, K. | | 登録日 | 2001-10-22 | | 公開日 | 2002-04-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Interactions of wheat-germ agglutinin with GlcNAc beta 1,6Gal sequence
Biochim.Biophys.Acta, 1569, 2002
|
|
3SYR
 | | Glycogen phosphorylase b in complex with beta-D-glucopyranonucleoside 5-fluorouracil | | 分子名称: | 5-fluoro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | 著者 | Skamnaki, V.T, Kantsadi, A.L, Kontou, M, Leonidas, D.D. | | 登録日 | 2011-07-18 | | 公開日 | 2012-02-15 | | 最終更新日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 3'-Axial CH(2) OH Substitution on Glucopyranose does not Increase Glycogen Phosphorylase Inhibitory Potency. QM/MM-PBSA Calculations Suggest Why.
Chem.Biol.Drug Des., 79, 2012
|
|
2IX9
 | |
4D83
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a co-crystallization experiment | | 分子名称: | (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | 著者 | Rondeau, J.M, Bourgier, E. | | 登録日 | 2012-01-10 | | 公開日 | 2012-11-21 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
|
|
2NTT
 | | Crystal Structure of SEK | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Staphylococcal enterotoxin K | | 著者 | Gunther, S, Varma, A.K, Moza, B, Sundberg, E.J. | | 登録日 | 2006-11-08 | | 公開日 | 2007-06-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.561 Å) | | 主引用文献 | A novel loop domain in superantigens extends their T cell receptor recognition site
J.Mol.Biol., 371, 2007
|
|
3SRC
 | | Structure of Pseudomonas aeruginosa PvdQ bound to NS2028 | | 分子名称: | 1,2-ETHANEDIOL, 8-bromo-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one, Acyl-homoserine lactone acylase pvdQ | | 著者 | Gulick, A.M, Drake, E.J. | | 登録日 | 2011-07-07 | | 公開日 | 2011-09-21 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Characterization and High-Throughput Screening of Inhibitors of PvdQ, an NTN Hydrolase Involved in Pyoverdine Synthesis.
Acs Chem.Biol., 6, 2011
|
|
2IUN
 | | Structure of the C-terminal head domain of the avian adenovirus CELO long fibre (P21 crystal form) | | 分子名称: | AVIAN ADENOVIRUS CELO LONG FIBRE, CALCIUM ION | | 著者 | Guardado-Calvo, P, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J. | | 登録日 | 2006-06-06 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure of the C-terminal head domain of the fowl adenovirus type 1 long fiber.
J. Gen. Virol., 88, 2007
|
|
3SSF
 | | Crystal structure of RNA:DNA dodecamer corresponding to HIV-1 polypurine tract, at 1.6 A resolution. | | 分子名称: | 5'-D(*CP*CP*TP*TP*TP*TP*CP*TP*TP*TP*TP*A)-3', 5'-R(*UP*AP*AP*AP*AP*GP*AP*AP*AP*AP*GP*G)-3', MAGNESIUM ION | | 著者 | Drozdzal, P, Michalska, K, Kierzek, R, Lomozik, L, Jaskolski, M. | | 登録日 | 2011-07-08 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure of an RNA/DNA dodecamer corresponding to the HIV-1 polypurine tract at 1.6 Angstrom resolution
Acta Crystallogr.,Sect.D, 68, 2012
|
|
2J40
 | | 1-pyrroline-5-carboxylate dehydrogenase from Thermus thermophilus with bound inhibitor L-proline and NAD. | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ... | | 著者 | Inagaki, E, Sakamoto, K, Nishio, M, Yokoyama, S. | | 登録日 | 2006-08-24 | | 公開日 | 2007-10-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structure of Ternary Complex of Delta1-Pyrroline-5-Carboxylate Dehydrogenase with Substrate Mimic and Co-Factoer
To be Published
|
|
1RXV
 | | Crystal Structure of A. Fulgidus FEN-1 bound to DNA | | 分子名称: | 5'-d(*T*pA*pG*pC*pA*pT*pC*pG*pG), Flap structure-specific endonuclease | | 著者 | Chapados, B.R, Hosfield, D.J, Han, S, Qiu, J, Yelent, B, Shen, B, Tainer, J.A. | | 登録日 | 2003-12-18 | | 公開日 | 2004-01-27 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Basis for FEN-1 Substrate Specificity and PCNA-Mediated Activation in DNA Replication and Repair
Cell(Cambridge,Mass.), 116, 2004
|
|
3SYM
 | | Glycogen Phosphorylase b in complex with 3 -C-(hydroxymethyl)-beta-D-glucopyranonucleoside of 5-fluorouracil | | 分子名称: | 5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucopyranosyl]pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | | 著者 | Skamnaki, V.T, Katsandi, A.L, Kontou, M, Leonidas, D.D. | | 登録日 | 2011-07-18 | | 公開日 | 2012-02-15 | | 最終更新日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 3'-Axial CH(2) OH Substitution on Glucopyranose does not Increase Glycogen Phosphorylase Inhibitory Potency. QM/MM-PBSA Calculations Suggest Why.
Chem.Biol.Drug Des., 79, 2012
|
|
2YLF
 | |
2J7C
 | | Beta-glucosidase from Thermotoga maritima in complex with phenylaminomethyl-derived glucoimidazole | | 分子名称: | (5R,6R,7S,8S)-3-(ANILINOMETHYL)-5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ACETATE ION, BETA-GLUCOSIDASE A, ... | | 著者 | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | | 登録日 | 2006-10-06 | | 公開日 | 2006-10-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
|
|
3GUH
 | | Crystal Structure of Wild-type E.coli GS in complex with ADP and DGM | | 分子名称: | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 1,5-anhydro-D-glucitol, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... | | 著者 | Sheng, F, Geiger, J. | | 登録日 | 2009-03-30 | | 公開日 | 2009-04-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | The Crystal Structures of the Open and Catalytically Competent Closed Conformation of Escherichia coli Glycogen Synthase.
J.Biol.Chem., 284, 2009
|
|
4BCW
 | | Carbonic anhydrase IX mimic in complex with (E)-2-(5-bromo-2- hydroxyphenyl)ethenesulfonic acid | | 分子名称: | (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID, CARBONIC ANHYDRASE 2, ZINC ION | | 著者 | Tars, K, Leitans, J, Kazaks, A. | | 登録日 | 2012-10-03 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Sulfocoumarins (1,2-Benzoxathiine-2,2-Dioxides): A Class of Potent and Isoform-Selective Inhibitors of Tumor-Associated Carbonic Anhydrases.
J.Med.Chem., 56, 2013
|
|
1BG4
 | | XYLANASE FROM PENICILLIUM SIMPLICISSIMUM | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-1,4-BETA-XYLANASE, GLYCEROL, ... | | 著者 | Schmidt, A, Kratky, C. | | 登録日 | 1998-06-05 | | 公開日 | 1998-08-12 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure of the xylanase from Penicillium simplicissimum.
Protein Sci., 7, 1998
|
|
2HA8
 | | Methyltransferase Domain of Human TAR (HIV-1) RNA binding protein 1 | | 分子名称: | S-ADENOSYL-L-HOMOCYSTEINE, TAR (HIV-1) RNA loop binding protein | | 著者 | Min, J, Wu, H, Zeng, H, Loppnau, P, Battaile, K, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | 登録日 | 2006-06-12 | | 公開日 | 2006-07-11 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The Crystal Structure of Methyltransferase Domain of Human TAR (HIV-1) RNA binding protein 1 in complex with S-adenosyl-L-homocystein.
To be Published
|
|
5Q0G
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2017-05-01 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
2C0M
 | |
1OGU
 | | STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR | | 分子名称: | 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | 著者 | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | | 登録日 | 2003-05-13 | | 公開日 | 2003-09-02 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-Based Design of 2-Arylamino-4-Cyclohexyl Methyl-5-Nitroso-6-Aminopyrimidine Inhibitors of Cyclin-Dependent Kinases 1 and 2
Bioorg.Med.Chem.Lett., 13, 2003
|
|
4I5R
 | |
