5DV7
 
 | | Crystal Structure of NF90 tandem dsRBDs with dsRNA | | 分子名称: | Interleukin enhancer-binding factor 3, RNA (5'-R(*CP*CP*AP*GP*CP*AP*UP*UP*AP*UP*GP*AP*AP*AP*GP*UP*GP*A)-3'), RNA (5'-R(*UP*CP*AP*CP*UP*UP*UP*CP*AP*UP*AP*AP*UP*GP*CP*UP*GP*G)-3') | | 著者 | Jayachandran, U, Grey, H, Cook, A.G. | | 登録日 | 2015-09-21 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Nuclear factor 90 uses an ADAR2-like binding mode to recognize specific bases in dsRNA.
Nucleic Acids Res., 44, 2016
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1A2Q
 | | SUBTILISIN BPN' MUTANT 7186 | | 分子名称: | ACETONE, CALCIUM ION, SUBTILISIN BPN' | | 著者 | Gilliland, G.L, Whitlow, M, Howard, A.J. | | 登録日 | 1998-01-08 | | 公開日 | 1998-04-29 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Biochemistry, 28, 1989
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8B52
 | | Usutu virus methyltransferase domain in complex with sinefungin | | 分子名称: | GLYCEROL, Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Ferrero, D.S, Albentosa Gonzalez, L, Mas, A, Verdaguer, N. | | 登録日 | 2022-09-21 | | 公開日 | 2023-10-04 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Structure and function of the NS5 methyltransferase domain from Usutu virus.
Antiviral Res., 208, 2022
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5KPC
 | | Pavine N-methyltransferase H206A mutant in complex with S-adenosylmethionine pH 6 | | 分子名称: | Pavine N-methyltransferase, S-ADENOSYLMETHIONINE | | 著者 | Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S. | | 登録日 | 2016-07-03 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
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5FPS
 | | Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 3-aminobenzene-1,2-dicarboxylic acid (AT1246) in an alternate binding site. | | 分子名称: | 3-AMINOBENZENE-1,2-DICARBOXYLIC ACID, HEPATITIS C VIRUS FULL-LENGTH NS3 COMPLEX | | 著者 | Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M, Williams, P.A. | | 登録日 | 2015-12-02 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5FLO
 | | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | | 分子名称: | 5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole, CARBONIC ANHYDRASE 2, ZINC ION | | 著者 | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | | 登録日 | 2015-10-28 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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5T1H
 | | Crystal structure of CK2 | | 分子名称: | 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | | 著者 | Feguson, A.D. | | 登録日 | 2016-08-19 | | 公開日 | 2017-11-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Crystal structure of CK2
To Be Published
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5FQG
 | | The details of glycolipid glycan hydrolysis by the structural analysis of a family 123 glycoside hydrolase from Clostridium perfringens | | 分子名称: | 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-beta-D-galactopyranose, BETA-N-ACETYLGALACTOSAMINIDASE, FORMIC ACID | | 著者 | Noach, I, Pluvinage, B, Laurie, C, Abe, K.T, Alteen, M, Vocadlo, D.J, Boraston, A.B. | | 登録日 | 2015-12-10 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The Details of Glycolipid Glycan Hydrolysis by the Structural Analysis of a Family 123 Glycoside Hydrolase from Clostridium Perfringens
J.Mol.Biol., 428, 2016
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8B5D
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5T2W
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5E5E
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6GAL
 | | Structure of fully reduced Hydrogenase (Hyd-1) variant E28Q collected at pH 10 | | 分子名称: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, FE3-S4 CLUSTER, ... | | 著者 | Carr, S.B, Armstrong, F.A, Evans, R.M. | | 登録日 | 2018-04-11 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase.
J. Am. Chem. Soc., 140, 2018
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5J2L
 | | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | | 分子名称: | protein design 2L4HC2_11 | | 著者 | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | | 登録日 | 2016-03-29 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
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2XMY
 | | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | | 分子名称: | 4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | | 登録日 | 2010-07-29 | | 公開日 | 2010-11-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
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5T31
 | | Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia | | 分子名称: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | 著者 | Stein, A.J, Holson, E.B, Wagner, F.F, Cambell, A.J. | | 登録日 | 2016-08-24 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
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8PC0
 | | Sub-tomogram average of the open conformation of the Nap adhesion complex from the human pathogen Mycoplasma genitalium. | | 分子名称: | Adhesin P1, Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-1,5-anhydro-D-glucitol, ... | | 著者 | Sprankel, L, Scheffer, M.P, Frangakis, A.F. | | 登録日 | 2023-06-09 | | 公開日 | 2023-11-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (17 Å) | | 主引用文献 | Cryo-electron tomography reveals the binding and release states of the major adhesion complex from Mycoplasma genitalium.
Plos Pathog., 19, 2023
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5YR7
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4ZQN
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor P41 | | 分子名称: | 2-chloro-N,N-dimethyl-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | | 著者 | Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2015-05-10 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds.
Plos One, 10, 2015
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6C76
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5FLE
 | | High resolution NI,FE-CODH-320 mV with CN state | | 分子名称: | CARBON MONOXIDE DEHYDROGENASE 2, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Ciaccafava, A, Tombolelli, D, Domnik, L, Fesseler, J, Jeoung, J.-H, Dobbek, H, Mroginski, M.A, Hildebrandt, P, Zebger, I. | | 登録日 | 2015-10-26 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | When the inhibitor tells more than the substrate: the cyanide-bound state of a carbon monoxide dehydrogenase.
Chem Sci, 7, 2016
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8OXA
 | | Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PS | | 分子名称: | (2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ... | | 著者 | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | 登録日 | 2023-05-01 | | 公開日 | 2023-11-29 | | 実験手法 | ELECTRON MICROSCOPY (2.76 Å) | | 主引用文献 | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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4U0J
 | | Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with 1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE, refined with new ligand restraints | | 分子名称: | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | | 登録日 | 2014-07-11 | | 公開日 | 2014-07-30 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis
J. Med. Chem., 2006
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6MYR
 | | Avian mitochondrial complex II with thiapronil bound | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Huang, L.-S, Luemmen, P, Berry, E.A. | | 登録日 | 2018-11-02 | | 公開日 | 2019-10-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
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5T3S
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4U0K
 | | Crystal structure of Mycobacterium tuberculosis enoyl reductase complexed with N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide | | 分子名称: | (3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | | 登録日 | 2014-07-11 | | 公開日 | 2014-07-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis
J. Med. Chem., 2006
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