4RNV
 
 | | G303 Circular Permutation of Old Yellow Enzyme with the Inhibitor p-Hydroxybenzaldehyde | | 分子名称: | FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1, P-HYDROXYBENZALDEHYDE | | 著者 | Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S. | | 登録日 | 2014-10-26 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.473 Å) | | 主引用文献 | STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
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4U16
 | | M3-mT4L receptor bound to NMS | | 分子名称: | D(-)-TARTARIC ACID, Muscarinic acetylcholine receptor M3,Lysozyme,Muscarinic acetylcholine receptor M3, N-methyl scopolamine | | 著者 | Thorsen, T.S, Matt, R, Weis, W.I, Kobilka, B. | | 登録日 | 2014-07-15 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | | 主引用文献 | Modified T4 Lysozyme Fusion Proteins Facilitate G Protein-Coupled Receptor Crystallogenesis.
Structure, 22, 2014
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7C53
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4RNA
 | | Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus | | 分子名称: | PHOSPHATE ION, ZINC ION, papain-like protease | | 著者 | Lei, H, Santarsiero, B.D, Lee, H, Johnson, M.E. | | 登録日 | 2014-10-23 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.794 Å) | | 主引用文献 | Inhibitor Recognition Specificity of MERS-CoV Papain-like Protease May Differ from That of SARS-CoV.
Acs Chem.Biol., 10, 2015
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4U82
 | | Structure of S. aureus undecaprenyl diphosphate synthase in complex with FSPP and sulfate | | 分子名称: | Isoprenyl transferase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ... | | 著者 | Zhu, W, Oldfield, E. | | 登録日 | 2014-07-31 | | 公開日 | 2015-02-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
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4U0Q
 | | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to basigin | | 分子名称: | Basigin, Reticulocyte binding protein 5 | | 著者 | Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K. | | 登録日 | 2014-07-14 | | 公開日 | 2014-08-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies.
Nature, 515, 2014
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4UBD
 | | Crystal structure of a neutralizing human monoclonal antibody with 1968 H3 HA | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | 著者 | Shore, D.A, Yang, H, Cho, M, Donis, R.O, Stevens, J. | | 登録日 | 2014-08-12 | | 公開日 | 2015-06-24 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus.
Nat Commun, 6, 2015
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3KLP
 | | 17beta-HSD1 in complex with A-diol | | 分子名称: | (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol, Estradiol 17-beta-dehydrogenase 1 | | 著者 | Mazumdar, M, Lin, S.-X. | | 登録日 | 2009-11-08 | | 公開日 | 2010-11-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Molecular basis of sex-steroids: their translational activity
To be Published
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6A7A
 | | AKR1C1 complexed with new inhibitor with novel scaffold | | 分子名称: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | | 登録日 | 2018-07-02 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
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4UVC
 | | LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine | | 分子名称: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | 著者 | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | 登録日 | 2014-08-05 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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8UFN
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4URW
 | | The crystal structure of H-Ras and SOS in complex with ligands | | 分子名称: | 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | | 登録日 | 2014-07-02 | | 公開日 | 2015-03-04 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
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4W5A
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8VF6
 | | Crystal structure of Serine/threonine-protein kinase 33 (STK33) Kinase Domain in complex with inhibitor CDD-2211 | | 分子名称: | Serine/threonine-protein kinase 33, {3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone | | 著者 | Ta, H.M, Kim, C, Ku, K.A, Matzuk, M.M. | | 登録日 | 2023-12-21 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Reversible male contraception by targeted inhibition of serine/threonine kinase 33.
Science, 384, 2024
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4WB6
 | | Crystal structure of a L205R mutant of human cAMP-dependent protein kinase A (catalytic alpha subunit) | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PKI (5-24), ... | | 著者 | Cheung, J, Ginter, C, Cassidy, M, Franklin, M.C, Rudolph, M.J, Hendrickson, W.A. | | 登録日 | 2014-09-02 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural insights into mis-regulation of protein kinase A in human tumors.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3CTT
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3CWZ
 | | Structure of RAB6(GTP)-R6IP1 complex | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rab6-interacting protein 1, ... | | 著者 | Recacha, R, Houdusse, A, Goud, B, Khan, A.R. | | 登録日 | 2008-04-23 | | 公開日 | 2008-11-18 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural basis for recruitment of Rab6-interacting protein 1 to Golgi via a RUN domain.
Structure, 17, 2009
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3CXB
 | | Crystal Structure of sifa and skip | | 分子名称: | Pleckstrin homology domain-containing family M member 2, Protein sifA | | 著者 | Huang, Z, Chai, J. | | 登録日 | 2008-04-24 | | 公開日 | 2008-12-02 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure and function of Salmonella SifA indicate that its interactions with SKIP, SseJ, and RhoA family GTPases induce endosomal tubulation
Cell Host Microbe, 4, 2008
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5HTB
 | | Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3353 | | 分子名称: | (3R)-4-amino-3-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name), (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | | 著者 | Chaikuad, A, Heroven, C, Lavogina, D, Kestav, K, Uri, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2016-01-26 | | 公開日 | 2016-05-11 | | 最終更新日 | 2023-04-26 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors.
Acta Crystallogr.,Sect.F, 72, 2016
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4WB5
 | | Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit) | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PKI (5-24), ... | | 著者 | Cheung, J, Ginter, C, Cassidy, M, Franklin, M.C, Rudolph, M.J, Hendrickson, W.A. | | 登録日 | 2014-09-02 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.641 Å) | | 主引用文献 | Structural insights into mis-regulation of protein kinase A in human tumors.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4UWB
 | | Fibroblast growth factor receptor 1 kinase in complex with JK-P5 | | 分子名称: | 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1, N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide, ... | | 著者 | Beeston, H, Tucker, J, Kankanala, J. | | 登録日 | 2014-08-11 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Validation of IMS-MS as a screening tool to identify type II kinase inhibitors of FGFR1 kinase.
Rapid Commun Mass Spectrom, 2021
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4UWC
 | | Fibroblast growth factor receptor 1 kinase in complex with JK-P3 | | 分子名称: | 1,2-ETHANEDIOL, 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide, FIBROBLAST GROWTH FACTOR RECEPTOR 1, ... | | 著者 | Beeston, H, Tucker, J, Kankanala, J. | | 登録日 | 2014-08-11 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Validation of IMS-MS as a screening tool to identify type II kinase inhibitors of FGFR1 kinase.
Rapid Commun Mass Spectrom, 2021
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4USF
 | | Human SLK with SB-440719 | | 分子名称: | 4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE | | 著者 | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Bountra, C, Edwards, A.M, Knapp, S. | | 登録日 | 2014-07-07 | | 公開日 | 2015-07-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
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1IOL
 | | ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE COMPLEXED 17-BETA-ESTRADIOL | | 分子名称: | ESTRADIOL, ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE | | 著者 | Azzi, A, Rehse, P.H, Zhu, D.-W, Campbell, R.L, Labrie, F, Lin, S.-X. | | 登録日 | 1996-06-20 | | 公開日 | 1997-07-07 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of human estrogenic 17 beta-hydroxysteroid dehydrogenase complexed with 17 beta-estradiol.
Nat.Struct.Biol., 3, 1996
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1I5R
 | | TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EM1745 COMPLEX | | 分子名称: | GLYCEROL, O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE, TYPE 1 17 BETA-HYDROXYSTEROID DEHYDROGENASE | | 著者 | Qiu, W, Campbell, R.L, Boivin, P, Poirier, D, Lin, S.-X. | | 登録日 | 2001-02-28 | | 公開日 | 2003-03-11 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors:
estradiol-adenosine hybrids with high affinity
FASEB J., 16, 2002
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