6APR
 
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5VPV
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1GK5
 | | Solution Structure the mEGF/TGFalpha44-50 chimeric growth factor | | 分子名称: | Pro-epidermal growth factor,Protransforming growth factor alpha | | 著者 | Chamberlin, S.G, Brennan, L, Puddicombe, S.M, Davies, D.E, Turner, D.L. | | 登録日 | 2001-08-08 | | 公開日 | 2002-08-08 | | 最終更新日 | 2018-03-28 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of the Megf/Tgfalpha44-50 Chimeric Growth Factor.
Eur.J.Biochem., 268, 2001
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6Q0D
 | | CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | | 著者 | Dranow, D.M, Davies, D.R. | | 登録日 | 2019-08-01 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
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4APR
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7MFC
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2APR
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6OP0
 | | Asymmetric hTNF-alpha | | 分子名称: | (R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, Tumor necrosis factor | | 著者 | Arakaki, T.L, Edwards, T.E, Fairman, J.W, Davies, D.R, Foley, A, Ceska, T. | | 登録日 | 2019-04-23 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer.
Nat Commun, 10, 2019
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7AJR
 | | Virtual screening approach leading to the identification of a novel and tractable series of Pseudomonas aeruginosa elastase inhibitors | | 分子名称: | 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid, Keratinase KP2, SULFATE ION, ... | | 著者 | Leiris, S, Davies, D.T, Sprinsky, N, Castandet, J, Behria, L, Bodnarchuk, M.S, Sutton, J.M, Mullins, T.M.G, Jones, M.W, Forrest, A.K, Pallin, T.D, Karunakar, P, Martha, S.K, Parusharamulu, B, Ramula, R, Kotha, V, Pottabathini, N, Pothukanuri, S, Lemonnier, M, Everett, M. | | 登録日 | 2020-09-29 | | 公開日 | 2021-02-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Virtual Screening Approach to Identifying a Novel and Tractable Series of Pseudomonas aeruginosa Elastase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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3CIG
 | | Crystal structure of mouse TLR3 ectodomain | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Liu, L, Botos, I, Wang, Y, Leonard, J.N, Shiloach, J, Segal, D.M, Davies, D.R. | | 登録日 | 2008-03-11 | | 公開日 | 2008-05-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Structural basis of toll-like receptor 3 signaling with double-stranded RNA.
Science, 320, 2008
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2MCP
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2A0Z
 | | The molecular structure of toll-like receptor 3 ligand binding domain | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Bell, J.K, Botos, I, Hall, P.R, Askins, J, Shiloach, J, Segal, D.M, Davies, D.R. | | 登録日 | 2005-06-17 | | 公開日 | 2005-08-02 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The molecular structure of the Toll-like receptor 3 ligand-binding domain
Proc.Natl.Acad.Sci.USA, 102, 2005
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2Y7X
 | | The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs | | 分子名称: | 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | 著者 | Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J. | | 登録日 | 2011-02-02 | | 公開日 | 2011-03-16 | | 最終更新日 | 2017-06-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
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3HFM
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1YQV
 | | The crystal structure of the antibody Fab HyHEL5 complex with lysozyme at 1.7A resolution | | 分子名称: | Hen Egg White Lysozyme, HyHEL-5 Antibody Heavy Chain, HyHEL-5 Antibody Light Chain | | 著者 | Cohen, G.H, Silverton, E.W, Padlan, E.A, Dyda, F, Wibbenmeyer, J.A, Wilson, R.C, Davies, D.R. | | 登録日 | 2005-02-02 | | 公開日 | 2005-04-26 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Water molecules in the antibody-antigen interface of the structure of the Fab HyHEL-5-lysozyme complex at 1.7 A resolution: comparison with results from isothermal titration calorimetry.
Acta Crystallogr.,Sect.D, 61, 2005
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4BUL
 | | Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases | | 分子名称: | (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one, 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP *CP*GP*CP*AP*C)-3', 5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*TP*AP*CP*CP*TP *AP*CP*GP*GP*CP*T)-3', ... | | 著者 | Miles, T.J, Hennessy, A.J, Bax, B, Brooks, G, Brown, B.S, Brown, P, Cailleau, N, Chen, D, Dabbs, S, Davies, D.T, Esken, J.M, Giordano, I, Hoover, J.L, Huang, J, Jones, G.E, Sukmar, S.K.K, Spitzfaden, C, Markwell, R.E, Minthorn, E.A, Rittenhouse, S, Gwynn, M.N, Pearson, N.D. | | 登録日 | 2013-06-20 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases.
Bioorg.Med.Chem.Lett., 23, 2013
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1ZYM
 | | AMINO TERMINAL DOMAIN OF ENZYME I FROM ESCHERICHIA COLI | | 分子名称: | ENZYME I | | 著者 | Liao, D.-I, Davies, D.R. | | 登録日 | 1996-05-21 | | 公開日 | 1996-12-07 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The first step in sugar transport: crystal structure of the amino terminal domain of enzyme I of the E. coli PEP: sugar phosphotransferase system and a model of the phosphotransfer complex with HPr.
Structure, 4, 1996
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2IFF
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1BQL
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1TTQ
 | | TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF POTASSIUM AT ROOM TEMPERATURE | | 分子名称: | POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE | | 著者 | Rhee, S, Parris, K, Ahmed, S, Miles, E.W, Davies, D.R. | | 登録日 | 1995-10-11 | | 公開日 | 1996-03-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex.
Biochemistry, 35, 1996
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1TTP
 | | TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF CESIUM, ROOM TEMPERATURE | | 分子名称: | CESIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE | | 著者 | Rhee, S, Parris, K, Ahmed, S, Miles, E.W, Davies, D.R. | | 登録日 | 1995-10-11 | | 公開日 | 1996-03-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex.
Biochemistry, 35, 1996
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1HQO
 | | CRYSTAL STRUCTURE OF THE NITROGEN REGULATION FRAGMENT OF THE YEAST PRION PROTEIN URE2P | | 分子名称: | URE2 PROTEIN | | 著者 | Umland, T.C, Taylor, K.L, Rhee, S, Wickner, R.B, Davies, D.R. | | 登録日 | 2000-12-18 | | 公開日 | 2001-02-14 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The crystal structure of the nitrogen regulation fragment of the yeast prion protein Ure2p.
Proc.Natl.Acad.Sci.USA, 98, 2001
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2FBJ
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6MBQ
 | | Crystal structure of Mg-free wild-type KRAS (2-166) bound to GMPPNP in the state 1 conformation | | 分子名称: | 1,2-ETHANEDIOL, GTPase KRas, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | Dharmaiah, S, Davies, D.R, Abendroth, J, Gillette, W.G, Stephen, A.G, Simanshu, D.K. | | 登録日 | 2018-08-30 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structures of N-terminally processed KRAS provide insight into the role of N-acetylation.
Sci Rep, 9, 2019
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1ITG
 | | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HIV-1 INTEGRASE: SIMILARITY TO OTHER POLYNUCLEOTIDYL TRANSFERASES | | 分子名称: | CACODYLATE ION, HIV-1 INTEGRASE | | 著者 | Dyda, F, Hickman, A.B, Jenkins, T.M, Engelman, A, Craigie, R, Davies, D.R. | | 登録日 | 1994-11-21 | | 公開日 | 1995-05-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of the catalytic domain of HIV-1 integrase: similarity to other polynucleotidyl transferases.
Science, 266, 1994
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