6T0D
 
 | | Crystal structure of YTHDC1 with fragment 27 (DHU_DC1_256) | | 分子名称: | SULFATE ION, YTHDC1, ~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide | | 著者 | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | 登録日 | 2019-10-02 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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3O8I
 | | Structure of 14-3-3 isoform sigma in complex with a C-Raf1 peptide and a stabilizing small molecule fragment | | 分子名称: | 14-3-3 binding site peptide of RAF proto-oncogene serine/threonine-protein kinase, 14-3-3 protein sigma, 6,6-dihydroxy-1-methoxyhexan-2-one | | 著者 | Ottmann, C, Rose, R, Kaiser, M, Kuhenne, P. | | 登録日 | 2010-08-03 | | 公開日 | 2010-09-29 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Impaired Binding of 14-3-3 to C-RAF in Noonan Syndrome Suggests New Approaches in Diseases with Increased Ras Signaling
Mol.Cell.Biol., 30, 2010
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6T10
 | | Crystal structure of YTHDC1 with fragment 28 (DHU_DC1_176) | | 分子名称: | 5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide, SULFATE ION, YTHDC1 | | 著者 | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | 登録日 | 2019-10-03 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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3B7U
 | | Leukotriene A4 Hydrolase Complexed with KELatorphan | | 分子名称: | ACETIC ACID, IMIDAZOLE, Leukotriene A-4 hydrolase, ... | | 著者 | Tholander, F, Haeggstrom, J, Thunnissen, M, Muroya, A, Roques, B.-P, Fournie-Zaluski, M.-C. | | 登録日 | 2007-10-31 | | 公開日 | 2008-09-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design.
Chem.Biol., 15, 2008
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6Q0R
 | | Structure of DDB1-DDA1-DCAF15 complex bound to E7820 and RBM39 | | 分子名称: | 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ... | | 著者 | Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S. | | 登録日 | 2019-08-02 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Nat.Chem.Biol., 16, 2020
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1OA1
 | | REDUCED HYBRID CLUSTER PROTEIN (HCP) FROM DESULFOVIBRIO VULGARIS HILDENBOROUGH STRUCTURE AT 1.55A RESOLUTION USING SYNCHROTRON RADIATION. | | 分子名称: | FE4-S3 CLUSTER, GLYCEROL, HYDROXYLAMINE REDUCTASE, ... | | 著者 | Aragao, D, Macedo, S, Mitchell, E.P, Romao, C.V, Liu, M.Y, Frazao, C, Saraiva, L.M, Xavier, A.V, Legall, J, Van Dongen, W.M.A.M, Hagen, W.R, Teixeira, M, Carrondo, M.A, Lindley, P.F. | | 登録日 | 2002-12-23 | | 公開日 | 2003-04-08 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Reduced Hybrid Cluster Proteins (Hcp) from Desulfovibrio Desulfuricans Atcc 27774 and Desulfovibrio Vulgaris (Hildenborough): X-Ray Structures at High Resolution Using Synchrotron Radiation
J.Biol.Inorg.Chem., 8, 2003
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1OA0
 | | REDUCED HYBRID CLUSTER PROTEIN FROM DESULFOVIBRIO DESULFURICANS X-RAY STRUCTURE AT 1.25A RESOLUTION | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE4-S3 CLUSTER, IRON/SULFUR CLUSTER, ... | | 著者 | Macedo, S, Aragao, D, Mitchell, E.P, Romao, C.V, Liu, M.Y, Frazao, C, Saraiva, L.M, Xavier, A.V, Legall, J, Van Dongen, W.M.A.M, Hagen, W.R, Teixeira, M, Carrondo, M.A, Lindley, P.F. | | 登録日 | 2002-12-23 | | 公開日 | 2003-04-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Reduced hybrid cluster proteins (HCP) from Desulfovibrio desulfuricans ATCC 27774 and Desulfovibrio vulgaris (Hildenborough): X-ray structures at high resolution using synchrotron radiation.
J. Biol. Inorg. Chem., 8, 2003
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6BG4
 | | Caspase-3 Mutant- T152D | | 分子名称: | AC-ASP-GLU-VAL-ASP-CMK, AZIDE ION, CHLORIDE ION, ... | | 著者 | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | | 登録日 | 2017-10-27 | | 公開日 | 2018-02-21 | | 最終更新日 | 2018-04-25 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
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8JP2
 | | Crystal structure of AKR1C1 in complex with DFV | | 分子名称: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P. | | 登録日 | 2023-06-10 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Inhibition of AKR1Cs by liquiritigenin and the structural basis.
Chem.Biol.Interact., 385, 2023
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6B9F
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6PSZ
 | | Poliovirus (Type 1 Mahoney), heat-catalysed 135S particle | | 分子名称: | VP1, VP2, VP3 | | 著者 | Hogle, J.M, Filman, D.J, Shah, P.N.M. | | 登録日 | 2019-07-14 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate.
Plos Pathog., 16, 2020
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6PT2
 | | Crystal structure of the active delta opioid receptor in complex with the peptide agonist KGCHM07 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Delta opioid receptor, ... | | 著者 | Claff, T, Yu, J, Blais, V, Patel, N, Martin, C, Wu, L, Han, G.W, Holleran, B.J, Van der Poorten, O, Hanson, M.A, Sarret, P, Gendron, L, Cherezov, V, Katritch, V, Ballet, S, Liu, Z, Muller, C.E, Stevens, R.C. | | 登録日 | 2019-07-14 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists.
Sci Adv, 5, 2019
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6SZL
 | | Crystal structure of YTHDC1 with fragment 7 (DHU_DC1_021) | | 分子名称: | 6-phenyl-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTH domain-containing protein 1 | | 著者 | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | 登録日 | 2019-10-02 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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6SIE
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2C4K
 | | Crystal structure of human phosphoribosylpyrophosphate synthetase- associated protein 39 (PAP39) | | 分子名称: | PHOSPHORIBOSYL PYROPHOSPHATE SYNTHETASE-ASSOCIATED PROTEIN 1, SULFATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE | | 著者 | Kursula, P, Stenmark, P, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Ogg, D, Persson, C, Sagemark, J, Schuler, H, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P. | | 登録日 | 2005-10-20 | | 公開日 | 2005-10-24 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Crystal Structure of Human Phosphoribosylpyrophosphate Synthetase-Associated Protein 39 (Pap39)
To be Published
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6SIO
 | | Fragment AZ-017 binding at the p53pT387/14-3-3 sigma interface | | 分子名称: | 14-3-3 protein sigma, 5-methyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | | 著者 | Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | | 登録日 | 2019-08-10 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.60418 Å) | | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6T09
 | | Crystal structure of YTHDC1 with fragment 24 (PSI_DC1_003) | | 分子名称: | SULFATE ION, YTHDC1, ~{N}-pyridin-3-ylethanamide | | 著者 | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | 登録日 | 2019-10-02 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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2JEO
 | | Crystal structure of human uridine-cytidine kinase 1 | | 分子名称: | URIDINE-CYTIDINE KINASE 1 | | 著者 | Kosinska, U, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E.P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Uppsten, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | | 登録日 | 2007-01-18 | | 公開日 | 2007-01-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of Human Uridine-Cytidine Kinase 1
To be Published
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6SIV
 | | Structure of HPV16 E6 oncoprotein in complex with mutant IRF3 LxxLL motif | | 分子名称: | Maltose/maltodextrin-binding periplasmic protein,Interferon regulatory factor 3, Protein E6, ZINC ION, ... | | 著者 | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Mitschler, A, Podjarny, A, Trave, G. | | 登録日 | 2019-08-12 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | | 主引用文献 | Deciphering the molecular and structural interaction between IRF3 and HPV16 E6
To be published
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2JLU
 | | Dengue virus 4 NS3 helicase in complex with ssRNA | | 分子名称: | 5'-R(*AP*GP*AP*CP*UP*AP*AP*CP*AP*AP*CP*U)-3', GLYCEROL, SERINE PROTEASE SUBUNIT NS3 | | 著者 | Luo, D.H, Xu, T, Watson, R.P, Becker, D.S, Sampath, A, Jahnke, W, Yeong, S.S, Wang, C.H, Lim, S.P, Vasudevan, S.G, Lescar, J. | | 登録日 | 2008-09-15 | | 公開日 | 2008-11-25 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Insights Into RNA Unwinding and ATP Hydrolysis by the Flavivirus Ns3 Protein.
Embo J., 27, 2008
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6F2U
 | | Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid | | 分子名称: | 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Goyal, P, Wahlgren, W.Y, Friemann, R. | | 登録日 | 2017-11-27 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid.
Eur J Med Chem, 150, 2018
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2JC9
 | | Crystal structure of Human Cytosolic 5'-Nucleotidase II in complex with adenosine | | 分子名称: | ADENOSINE, CYTOSOLIC PURINE 5'-NUCLEOTIDASE, GLYCEROL, ... | | 著者 | Wallden, K, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg, S.L, Hogbom, M, Karlberg, T, Kotenyova, T, Magnusdottir, A, Nilsson-Ehle, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Loppnau, P, Weigelt, J, Welin, M, Nordlund, P. | | 登録日 | 2006-12-21 | | 公開日 | 2007-01-02 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal Structure of Human Cytosolic 5'-Nucleotidase II: Insights Into Allosteric Regulation and Substrate Recognition
J.Biol.Chem., 282, 2007
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7B4Q
 | | Structure of a cold active HSL family esterase reveals mechanisms of low temperature adaptation and substrate specificity | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Rizkallah, P.J, Jones, D.D, Noby, N, Auhim, H. | | 登録日 | 2020-12-02 | | 公開日 | 2021-12-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Structure and in silico simulations of a cold-active esterase reveals its prime cold-adaptation mechanism.
Open Biology, 11, 2021
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1ODN
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN-EXPOSED PRODUCT FROM ANAEROBIC AC-VINYLGLYCINE FE COMPLEX) | | 分子名称: | 6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-3-HYDROXYMETHYL-7-OXO-4-THIA-1-AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | | 著者 | Elkins, J.M, Rutledge, P.J, Burzlaff, N.I, Clifton, I.J, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | 登録日 | 2003-02-19 | | 公開日 | 2003-06-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystallographic Studies on the Reaction of Isopenicillin N Synthase with an Unsaturated Substrate Analogue
Org.Biomol.Chem., 1, 2003
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6UYA
 | | Crystal structure of Compound 19 bound to IRAK4 | | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | | 著者 | Kiefer, J.R, Bryan, M.C, Lupardus, P.J, Zarrin, A.A, Rajapaksa, N.S, Gobbi, A, Drobnick, J, Kolesnikov, A, Liang, J, Do, S. | | 登録日 | 2019-11-12 | | 公開日 | 2019-11-20 | | 最終更新日 | 2020-04-01 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Discovery of Potent Benzolactam IRAK4 Inhibitors with Robust in Vivo Activity.
Acs Med.Chem.Lett., 11, 2020
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