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6KJJ
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Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid, Putative beta-lactamase
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-22
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.492 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KKG
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BU of 6kkg by Molmil
Crystal structure of MAGI2-Dendrin complex
分子名称: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, Peptide from Dendrin
著者Zhu, J.W, Zhang, H.J, Lin, L, Zhang, R.G.
登録日2019-07-25
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Phase separation of MAGI2-mediated complex underlies formation of slit diaphragm complex in glomerular filtration barrier
To Be Published
6KKM
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BU of 6kkm by Molmil
Crystal structure of RbcL-Raf1 complex from Anabaena sp. PCC 7120
分子名称: All5250 protein, Ribulose bisphosphate carboxylase large chain
著者Xia, L.Y, Jiang, Y.L, Kong, W.W, Chen, Y, Zhou, C.Z.
登録日2019-07-26
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular basis for the assembly of RuBisCO assisted by the chaperone Raf1.
Nat.Plants, 6, 2020
6KCN
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BU of 6kcn by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 4
分子名称: 3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one, GLYCEROL, LYSINE, ...
著者Zhou, J, Fang, P.
登録日2019-06-28
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
6KDR
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BU of 6kdr by Molmil
Crystal structure of human NRMT2 in complex with human centromere protein B peptide
分子名称: Alpha N-terminal protein methyltransferase 1B, CHLORIDE ION, GLYCEROL, ...
著者Yue, Y, Li, H.
登録日2019-07-02
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献Substrate-enzyme engagement regulates state-specific alpha-N methylation of NRMT2
to be published
6KE0
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BU of 6ke0 by Molmil
Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor
分子名称: 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone, MAGNESIUM ION, ZINC ION, ...
著者Amano, Y, Honbou, K.
登録日2019-07-03
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem., 27, 2019
6KLR
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BU of 6klr by Molmil
Crystal structure of human WIPI3 in complex with the WIR-peptide from ATG2A
分子名称: chimera ATG2A and WIPI3
著者Ren, J.Q, Liang, R.B, Feng, W.
登録日2019-07-30
公開日2020-04-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Multi-site-mediated entwining of the linear WIR-motif around WIPI beta-propellers for autophagy.
Nat Commun, 11, 2020
6KG2
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Human MTHFD2 in complex with Compound 18
分子名称: Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide, ...
著者Suzuki, M, Matsui, Y, Ota, M, Kawai, J.
登録日2019-07-10
公開日2019-11-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity.
J.Med.Chem., 62, 2019
6KMH
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BU of 6kmh by Molmil
The crystal structure of CASK/Mint1 complex
分子名称: Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ...
著者Li, W, Feng, W.
登録日2019-07-31
公開日2020-08-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion.
Cell Discov, 6, 2020
6KHM
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BU of 6khm by Molmil
Lipase (Open form)
分子名称: Hydrolase, alpha/beta domain protein, heptane-1,1-diol, ...
著者Kim, H.J, Kwon, A.R.
登録日2019-07-16
公開日2020-07-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Closed, blocked, and open states of lipase from type II Cutibacterium acnes
To Be Published
6KJE
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BU of 6kje by Molmil
lovastatin esterase PcEST in complex with monacolin J
分子名称: (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, ACETATE ION, Pc15g00720 protein, ...
著者Liang, Y.J, Lu, X.F.
登録日2019-07-22
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.484 Å)
主引用文献Structural insights into the catalytic mechanism of lovastatin hydrolase
J.Biol.Chem., 2019
6JVM
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BU of 6jvm by Molmil
Crystal structure of human MTH1 in complex with compound MI1016
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
著者Peng, C, Li, Y.H, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6JW9
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BU of 6jw9 by Molmil
Crystal structure of E-64 inhibited falcipain 2 from Plasmodium falciparum, strain 3D7
分子名称: Cysteine protease falcipain-2, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
著者Chakraborty, S, Alam, B, Biswas, S.
登録日2019-04-18
公開日2020-04-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献New insights of falcipain 2 structure from Plasmodium falciparum 3D7 strain.
Biochem.Biophys.Res.Commun., 590, 2022
6KM8
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BU of 6km8 by Molmil
Crystal Structure of Momordica charantia 7S globulin
分子名称: 7S globulin, ACETATE ION, COPPER (II) ION
著者Kesari, P, Pratap, S, Dhankhar, P, Dalal, V, Kumar, P.
登録日2019-07-31
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.099 Å)
主引用文献Structural characterization and in-silico analysis of Momordica charantia 7S globulin for stability and ACE inhibition.
Sci Rep, 10, 2020
6JST
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BU of 6jst by Molmil
Structure of Geobacillus kaustophilus lactonase, Y99P/D266N double mutant with bound 3-oxo-C8-HSL
分子名称: 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, FE (III) ION, HYDROXIDE ION, ...
著者Xue, B, Yew, W.S.
登録日2019-04-08
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.726 Å)
主引用文献Directed Computational Evolution of Quorum-Quenching Lactonases from the Amidohydrolase Superfamily.
Structure, 28, 2020
6JX3
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BU of 6jx3 by Molmil
Lasso peptide synthetase B1 complexed with the leader peptide
分子名称: TfuA-Leader, TfuB1, ZINC ION
著者Sumida, T, Tagami, S.
登録日2019-04-22
公開日2019-06-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Leader Peptide Recognition in Lasso Peptide Biosynthesis Pathway.
Acs Chem.Biol., 14, 2019
6JXP
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BU of 6jxp by Molmil
Room temperature structure of lysozyme delivered in LCP by serial millisecond crystallography
分子名称: CHLORIDE ION, Lysozyme C
著者Nam, K.H.
登録日2019-04-24
公開日2019-05-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Sample delivery using viscous media, a syringe and a syringe pump for serial crystallography.
J.Synchrotron Radiat., 26, 2019
6K0R
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BU of 6k0r by Molmil
Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin
分子名称: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E.
登録日2019-05-07
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
6KBZ
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Crystal structure of yedK with ssDNA containing a tetrahydrofuran abasic site
分子名称: 5'-D (*CP*GP*GP*TP* (3DR) P*GP*AP*TP*TP*C)-3', MAGNESIUM ION, SOS response-associated protein
著者Wang, N, Bao, H, Huang, H.
登録日2019-06-26
公開日2019-07-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Molecular basis of abasic site sensing in single-stranded DNA by the SRAP domain of E. coli yedK.
Nucleic Acids Res., 47, 2019
5ZKA
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BU of 5zka by Molmil
Crystal structure of N-acetylneuraminate lyase from Fusobacterium nucleatum complexed with Pyruvate
分子名称: 1,2-ETHANEDIOL, N-acetylneuraminate lyase, TRIETHYLENE GLYCOL
著者Kumar, J.P, Rao, H, Nayak, V, Ramaswamy, S.
登録日2018-03-23
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structures and kinetics of N-acetylneuraminate lyase from Fusobacterium nucleatum
Acta Crystallogr F Struct Biol Commun, 74, 2018
2R9G
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BU of 2r9g by Molmil
Crystal structure of the C-terminal fragment of AAA ATPase from Enterococcus faecium
分子名称: AAA ATPase, central region, ACETATE ION, ...
著者Ramagopal, U.A, Patskovsky, Y, Bonanno, J.B, Shi, W, Toro, R, Meyer, A.J, Rutter, M, Wu, B, Groshong, C, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-09-12
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal Structure of the C-Terminal Domain of AAA ATPase from Enterococcus faecium.
To be Published
5ZKT
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BU of 5zkt by Molmil
Crystal structure of TCP domain of PCF6 in Oryza sativa
分子名称: Putative transcription factor PCF6
著者Sun, L.F, Zou, X.M, Wu, Y.K.
登録日2018-03-26
公開日2019-03-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of TCP domain of PCF6 in Oryza sativa
To be published
5ZL1
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BU of 5zl1 by Molmil
Hexameric structure of copper-containing nitrite reductase of an anammox organism KSU-1
分子名称: CALCIUM ION, COPPER (II) ION, Putative copper-type nitrite reductase, ...
著者Hira, D, Matsumura, M, Kitamura, R, Fujii, T.
登録日2018-03-26
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Hexameric structure of copper-containing nitrite reductase of an anammox organism KSU-1
To Be Published
2RGO
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BU of 2rgo by Molmil
Structure of Alpha-Glycerophosphate Oxidase from Streptococcus sp.: A Template for the Mitochondrial Alpha-Glycerophosphate Dehydrogenase
分子名称: Alpha-Glycerophosphate Oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Colussi, T, Boles, W, Mallett, T.C, Karplus, P.A, Claiborne, A.
登録日2007-10-04
公開日2008-01-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of alpha-glycerophosphate oxidase from Streptococcus sp.: a template for the mitochondrial alpha-glycerophosphate dehydrogenase.
Biochemistry, 47, 2008
2RKF
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HIV-1 PR resistant mutant + LPV
分子名称: GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN, ...
著者Rezacova, P, Brynda, J, Kozisek, M, Saskova, K.G, Konvalinka, J.
登録日2007-10-16
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ninety-nine is not enough: molecular characterization of inhibitor-resistant human immunodeficiency virus type 1 protease mutants with insertions in the flap region
J.Virol., 82, 2008

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