6BSK
 
 | | Human PIM1 kinase in complex with compound 12b | | 分子名称: | 1,2-ETHANEDIOL, 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid, SULFATE ION, ... | | 著者 | Ferguson, A.D. | | 登録日 | 2017-12-03 | | 公開日 | 2018-03-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.573 Å) | | 主引用文献 | Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases.
Bioorg. Med. Chem. Lett., 28, 2018
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5G5O
 | | Structure of the snake adenovirus 1 hexon-interlacing LH3 protein, native | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Nguyen, T.H, Singh, A.K, Albala-Perez, B, van Raaij, M.J. | | 登録日 | 2016-05-26 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of a Reptilian Adenovirus Reveals a Phage Tailspike Fold Stabilizing a Vertebrate Virus Capsid.
Structure, 25, 2017
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6FCH
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3M7I
 | | Crystal structure of transketolase in complex with thiamine diphosphate, ribose-5-phosphate(pyranose form) and magnesium ion | | 分子名称: | 1,2-ETHANEDIOL, 5-O-phosphono-beta-D-ribofuranose, MAGNESIUM ION, ... | | 著者 | Nocek, B, Makowska-Grzyska, M, Maltseva, N, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2010-03-16 | | 公開日 | 2010-04-07 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structure of transketolase in complex with thiamine diphosphate, ribose-5-phosphate(pyranose form) and magnesium ion
TO BE PUBLISHED
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4NG9
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6SIS
 | | Crystal structure of macrocyclic PROTAC 1 in complex with the second bromodomain of human Brd4 and pVHL:ElonginC:ElonginB | | 分子名称: | Bromodomain-containing protein 4, Elongin-B, Elongin-C, ... | | 著者 | Hughes, S.J, Testa, A, Ciulli, A. | | 登録日 | 2019-08-10 | | 公開日 | 2019-12-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Structure-Based Design of a Macrocyclic PROTAC.
Angew.Chem.Int.Ed.Engl., 59, 2020
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3MCI
 | | Crystal structure of molybdenum cofactor biosynthesis (AQ_061) from aquifex aeolicus VF5 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Molybdenum cofactor biosynthesis MOG | | 著者 | Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2010-03-29 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic organisms
Acta Crystallogr.,Sect.F, 67, 2011
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4YVI
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5V0E
 | | Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' flap DNA (f5I) | | 分子名称: | DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*GP*AP*TP*AP*C)-3'), DNA (5'-D(P*CP*TP*CP*GP*TP*CP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ... | | 著者 | Shi, Y, Beese, L.S. | | 登録日 | 2017-02-28 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.744 Å) | | 主引用文献 | Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3MCH
 | | Crystal structure of the molybdopterin biosynthesis enzyme MoaB (TTHA0341) from thermus theromophilus HB8 | | 分子名称: | 1,2-ETHANEDIOL, Molybdopterin biosynthesis enzyme, MoaB | | 著者 | Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2010-03-29 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic organisms
Acta Crystallogr.,Sect.F, 67, 2011
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4A8I
 | | Protein crystallization and microgravity: glucose isomerase crystals grown during the PCDF-PROTEIN mission | | 分子名称: | 1,2-ETHANEDIOL, COBALT (II) ION, XYLOSE ISOMERASE | | 著者 | Decanniere, K, Patino-Lopez, L.-D, Sleutel, M, Evrard, C, Van De Weerdt, C, Haumont, E, Gavira, J.A, Otalora, F, Maes, D. | | 登録日 | 2011-11-21 | | 公開日 | 2011-11-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | | 主引用文献 | Protein Crystallization and Microgravity: Glucose Isomerase Crystals Grown During the Pcdf-Protein Mission
To be Published
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7YFK
 | | The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin | | 分子名称: | Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 | | 著者 | Xia, Y, Yao, D, Huang, C, Cao, Y. | | 登録日 | 2022-07-08 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions.
Nat Commun, 14, 2023
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5VCY
 | | CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH BOSUTINIB | | 分子名称: | 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2017-04-01 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
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1P4D
 | | F factor TraI Relaxase Domain | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, TraI protein | | 著者 | Datta, S, Larkin, C, Schildbach, J.F. | | 登録日 | 2003-04-22 | | 公開日 | 2003-10-14 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural insights into single-stranded DNA binding and cleavage by F factor TraI.
Structure, 11, 2003
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4NGA
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7NL2
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7DSC
 | | CALHM1 open state with disordered CTH | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1 | | 著者 | Ren, Y, Yang, X, Shen, Y.Q. | | 登録日 | 2020-12-30 | | 公開日 | 2022-01-05 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
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1XY9
 | | NMR strcutre of sst1-selective somatostatin (SRIF) analog 1 | | 分子名称: | SST1-selective somatosatin analog | | 著者 | Grace, C.R.R, Durrer, L, Koerber, S.C, Erchegyi, J, Reubi, J.C, Rivier, J.E, Riek, R. | | 登録日 | 2004-11-09 | | 公開日 | 2005-02-15 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Somatostatin receptor 1 selective analogues: 4. Three-dimensional consensus structure by NMR
J.Med.Chem., 48, 2005
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7DSE
 | | CALHM1 close state with ordered CTH | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1 | | 著者 | Ren, Y, Yang, X, Shen, Y.Q. | | 登録日 | 2020-12-30 | | 公開日 | 2022-01-05 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
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2YPV
 | | Crystal structure of the Meningococcal vaccine antigen factor H binding protein in complex with a bactericidal antibody | | 分子名称: | 1,2-ETHANEDIOL, FAB 12C1, LIPOPROTEIN | | 著者 | Malito, E, Veggi, D, Bottomley, M.J. | | 登録日 | 2012-11-01 | | 公開日 | 2013-02-20 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Defining a Protective Epitope on Factor H Binding Protein, a Key Meningococcal Virulence Factor and Vaccine Antigen.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3MNU
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6M7I
 | | Crystal structure of KPC-2 with compound 3 | | 分子名称: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | | 著者 | Akhtar, A, Chen, Y. | | 登録日 | 2018-08-20 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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6D5M
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole, GTPase HRas, MAGNESIUM ION, ... | | 著者 | Phan, J, Hodges, T, Fesik, S.W. | | 登録日 | 2018-04-19 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.081 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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6UO3
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) complexed with AR-42 | | 分子名称: | 1,2-ETHANEDIOL, AR-42, HDAC6, ... | | 著者 | Osko, J.D, Christianson, D.W. | | 登録日 | 2019-10-14 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.09000123 Å) | | 主引用文献 | Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6.
Biochemistry, 58, 2019
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5K0J
 | | Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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