6KEC
 
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one | | 分子名称: | 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID | | 著者 | Lee, B.I, Park, T.H. | | 登録日 | 2019-07-04 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
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6UO6
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3IAN
 | | Crystal structure of a chitinase from Lactococcus lactis subsp. lactis | | 分子名称: | 1,2-ETHANEDIOL, Chitinase, SODIUM ION | | 著者 | Bonanno, J.B, Rutter, M, Bain, K.T, Miller, S, Ozyurt, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2009-07-14 | | 公開日 | 2009-07-28 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structure of a chitinase from Lactococcus lactis subsp. lactis
To be Published
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2X1I
 | | glycoside hydrolase family 77 4-alpha-glucanotransferase from thermus brockianus | | 分子名称: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 4-ALPHA-GLUCANOTRANSFERASE, PHOSPHATE ION, ... | | 著者 | Yoon, S.-M, Jung, J.-H, Jung, T.-Y, Song, H.-N, Park, C.-S, Woo, E.-J. | | 登録日 | 2009-12-28 | | 公開日 | 2010-10-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Structural and Functional Analysis of Substrate Recognition by the 250S Loop in Amylomaltase from Thermus Brockianus.
Proteins, 79, 2011
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7K41
 | | Bacterial O-GlcNAcase (OGA) with compound | | 分子名称: | 1,2-ETHANEDIOL, 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine, ACETATE ION, ... | | 著者 | Lane, W, Tjhen, R, Snell, G, Sang, B. | | 登録日 | 2020-09-14 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of a Novel and Brain-Penetrant O -GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization.
J.Med.Chem., 64, 2021
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5ZCY
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1US4
 | | PUTATIVE GLUR0 LIGAND BINDING CORE WITH L-GLUTAMATE | | 分子名称: | 1,2-ETHANEDIOL, GLUTAMIC ACID, PUTATIVE GLUR0 LIGAND BINDING CORE | | 著者 | Tahirov, T.H, Inagaki, E, Takahashi, H. | | 登録日 | 2003-11-18 | | 公開日 | 2003-11-19 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure of the Thermus Thermophilus Putative Periplasmic Glutamate/Glutamine-Binding Protein
Acta Crystallogr.,Sect.D, 60, 2004
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5VPP
 | | The 70S P-site tRNA SufA6 complex | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Hong, S, Sunita, S, Dunkle, J.A, Maehigashi, T, Dunham, C.M. | | 登録日 | 2017-05-05 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (3.9 Å) | | 主引用文献 | Mechanism of tRNA-mediated +1 ribosomal frameshifting.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4L5F
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7K6T
 | | Carbonic Anhydrase IX mimic complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide | | 分子名称: | 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Andring, J.T, Singh, S, McKenna, R. | | 登録日 | 2020-09-21 | | 公開日 | 2020-12-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.759 Å) | | 主引用文献 | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
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7F98
 | | Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L95 | | 分子名称: | Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Malhotra, N, Manickam, Y, Sharma, A. | | 登録日 | 2021-07-04 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
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4B5X
 | | Crystal structures of divalent metal dependent pyruvate aldolase (HpaI), mutant D42A | | 分子名称: | 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, GLYCEROL, PHOSPHATE ION | | 著者 | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | | 登録日 | 2012-08-07 | | 公開日 | 2012-08-29 | | 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 Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
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7K6U
 | | Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide | | 分子名称: | 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Andring, J.T, Singh, S, McKenna, R. | | 登録日 | 2020-09-21 | | 公開日 | 2020-12-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.605 Å) | | 主引用文献 | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
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7F9D
 | | Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 | | 分子名称: | 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ... | | 著者 | Manickam, Y, Malhotra, N, Sharma, A. | | 登録日 | 2021-07-04 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.497 Å) | | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
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6U0Q
 | | Transthyretin in complex with (E)-5,5'-(ethene-1,2-diyl)bis(1,1-dihydroxy-3-oxo-1,3-dihydrobenzo[c][1,2]oxaborol-1-uide) | | 分子名称: | 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, Transthyretin | | 著者 | Windsor, I.W, Graham, B.J, Raines, R.T. | | 登録日 | 2019-08-14 | | 公開日 | 2021-01-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Boronic acid with high oxidative stability and utility in biological contexts.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7KBH
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2N4L
 | | Solution Structure of the HIV-1 Intron Splicing Silencer and its Interactions with the UP1 Domain of hnRNP A1 | | 分子名称: | RNA (53-MER) | | 著者 | Tolbert, B.S, Jain, N, Morgan, C.E, Rife, B.D, Salemi, M. | | 登録日 | 2015-06-23 | | 公開日 | 2015-12-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of the HIV-1 Intron Splicing Silencer and Its Interactions with the UP1 Domain of Heterogeneous Nuclear Ribonucleoprotein (hnRNP) A1.
J.Biol.Chem., 291, 2016
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5FU0
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | 著者 | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | | 登録日 | 2016-01-19 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
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5ETR
 | | S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.32 angstrom resolution | | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one, CHLORIDE ION, ... | | 著者 | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | 登録日 | 2015-11-18 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
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4JXQ
 | | Crystal structure of a GNAT superfamily phosphinothricin acetyltransferase (Pat) from Sinorhizobium meliloti 1021 | | 分子名称: | 1,2-ETHANEDIOL, Acetyltransferase, CITRATE ANION, ... | | 著者 | Majorek, K.A, Cooper, D.R, Osinski, T, Ahmed, M, Stead, M, Hillerich, B, Seidel, R, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2013-03-28 | | 公開日 | 2013-05-08 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Crystal structure of a GNAT superfamily phosphinothricin acetyltransferase (Pat) from Sinorhizobium meliloti 1021
To be Published
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6IBM
 | | Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfate ME776 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | 著者 | Rowland, R.J, Wu, L, Davies, G.J. | | 登録日 | 2018-11-30 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
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5FL5
 | | Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE IX, ... | | 著者 | Leitans, J, Tars, K, Zalubovskis, R. | | 登録日 | 2015-10-21 | | 公開日 | 2015-11-11 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
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4BDD
 | | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | | 分子名称: | 1,2-ETHANEDIOL, 1-(TERT-BUTYL)-3-(QUINOXALIN-6-YL)UREA, NITRATE ION, ... | | 著者 | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | | 登録日 | 2012-10-05 | | 公開日 | 2013-06-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
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1M4X
 | | PBCV-1 virus capsid, quasi-atomic model | | 分子名称: | PBCV-1 virus capsid | | 著者 | Nandhagopal, N, Simpson, A.A, Gurnon, J.R, Yan, X, Baker, T.S, Graves, M.V, Van Etten, J.L, Rossmann, M.G. | | 登録日 | 2002-07-05 | | 公開日 | 2002-12-04 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (28 Å) | | 主引用文献 | The Structure and Evolution of the Major Capsid Protein of a Large,
Lipid containing, DNA virus.
Proc.Natl.Acad.Sci.USA, 99, 2002
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3N9V
 | | Crystal Structure of INPP5B | | 分子名称: | CALCIUM ION, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | 登録日 | 2010-05-31 | | 公開日 | 2010-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases
Structure, 22, 2014
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