4OXQ
 
 | | Structure of Staphylococcus pseudintermedius metal-binding protein SitA in complex with Zinc | | 分子名称: | Manganese ABC transporter, periplasmic-binding protein SitA, ZINC ION | | 著者 | Abate, F, Malito, E, Bottomley, M. | | 登録日 | 2014-02-06 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Apo, Zn2+-bound and Mn2+-bound structures reveal ligand-binding properties of SitA from the pathogen Staphylococcus pseudintermedius.
Biosci.Rep., 34, 2014
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3V7I
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5A8K
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5A8W
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5HLR
 | | Linalool dehydratase/isomerase: Ldi-apo | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, Linalool dehydratase/isomerase | | 著者 | Weidenweber, S, Marmulla, R, Harder, J, Ermler, U. | | 登録日 | 2016-01-15 | | 公開日 | 2016-04-27 | | 最終更新日 | 2017-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.911 Å) | | 主引用文献 | X-ray structure of linalool dehydratase/isomerase from Castellaniella defragrans reveals enzymatic alkene synthesis.
Febs Lett., 590, 2016
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7SBZ
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7SA6
 | | fHbp mutant 2416 bound to Fab JAR5 | | 分子名称: | Factor H-binding protein 2416, JAR5 Heavy Chain, JAR5 Light Chain | | 著者 | Chesterman, C, Malito, E, Bottomley, M.J. | | 登録日 | 2021-09-22 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Active Learning for Rapid Design: An iterative AI approach for accelerated vaccine design that combines active machine learning and high-throughput experimental evaluation
To Be Published
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8OZ5
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8P02
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4L1F
 | | Electron transferring flavoprotein of Acidaminococcus fermentans: Towards a mechanism of flavin-based electron bifurcation | | 分子名称: | 1,3-PROPANDIOL, Acyl-CoA dehydrogenase domain protein, COENZYME A PERSULFIDE, ... | | 著者 | Mowafy, A.M, Chowdhury, N.P, Demmer, J, Upadhyay, V, Kolzer, S, Jayamani, E, Kahnt, J, Demmer, U, Ermler, U, Buckel, W. | | 登録日 | 2013-06-03 | | 公開日 | 2014-01-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Studies on the Mechanism of Electron Bifurcation Catalyzed by Electron Transferring Flavoprotein (Etf) and Butyryl-CoA Dehydrogenase (Bcd) of Acidaminococcus fermentans.
J.Biol.Chem., 289, 2014
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8G8W
 | | Molecular mechanism of nucleotide inhibition of human uncoupling protein 1 | | 分子名称: | CARDIOLIPIN, GUANOSINE-5'-TRIPHOSPHATE, Mitochondrial brown fat uncoupling protein 1, ... | | 著者 | Gogoi, P, Jones, S.A, Ruprecht, J.J, King, M.S, Lee, Y, Zogg, T, Pardon, E, Chand, D, Steimle, S, Copeman, D, Cotrim, C.A, Steyaert, J, Crichton, P.G, Moiseenkova-Bell, V, Kunji, E.R.S. | | 登録日 | 2023-02-20 | | 公開日 | 2023-06-07 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structural basis of purine nucleotide inhibition of human uncoupling protein 1.
Sci Adv, 9, 2023
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4NDQ
 | | Crystal structure Molybdenum Storage Protein with fully Mo-loaded cavity | | 分子名称: | (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Poppe, J, Warkentin, E, Demmer, U, Ermler, U. | | 登録日 | 2013-10-27 | | 公開日 | 2014-08-13 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.751 Å) | | 主引用文献 | Structural diversity of polyoxomolybdate clusters along the three-fold axis of the molybdenum storage protein.
J.Inorg.Biochem., 138, 2014
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4NDP
 | | Crystal structure Molybdenum Storage Protein with fully Mo-loaded cavity | | 分子名称: | (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Poppe, J, Warkentin, E, Demmer, U, Ermler, U. | | 登録日 | 2013-10-27 | | 公開日 | 2014-08-13 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural diversity of polyoxomolybdate clusters along the three-fold axis of the molybdenum storage protein.
J.Inorg.Biochem., 138, 2014
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4N7B
 | | Structure of the E-1-hydroxy-2-methyl-but-2-enyl-4-diphosphate reductase from Plasmodium falciparum | | 分子名称: | FE3-S4 CLUSTER, GLYCEROL, LytB, ... | | 著者 | Rekittke, I, Jomaa, H, Ermler, U. | | 登録日 | 2013-10-15 | | 公開日 | 2013-11-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | | 主引用文献 | Structure of the (E)-4-hydroxy-3-methyl-but-2-enyl-diphosphate reductase from Plasmodium falciparum.
Febs Lett., 587, 2013
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4OMF
 | | The F420-reducing [NiFe]-hydrogenase complex from Methanothermobacter marburgensis, the first X-ray structure of a group 3 family member | | 分子名称: | CHLORIDE ION, F420-reducing hydrogenase, subunit alpha, ... | | 著者 | Vitt, S, Ma, K, Warkentin, E, Moll, J, Pierik, A, Shima, S, Ermler, U. | | 登録日 | 2014-01-27 | | 公開日 | 2014-06-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | The F420-Reducing [NiFe]-Hydrogenase Complex from Methanothermobacter marburgensis, the First X-ray Structure of a Group 3 Family Member.
J.Mol.Biol., 426, 2014
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4NDR
 | | Crystal structure Molybdenum Storage Protein with fully Mo-loaded cavity | | 分子名称: | (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Poppe, J, Warkentin, E, Demmer, U, Ermler, U. | | 登録日 | 2013-10-27 | | 公開日 | 2014-08-13 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural diversity of polyoxomolybdate clusters along the three-fold axis of the molybdenum storage protein.
J.Inorg.Biochem., 138, 2014
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4NDO
 | | Crystal structure Molybdenum Storage Protein with fully Mo-loaded cavity | | 分子名称: | (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Poppe, J, Warkentin, E, Demmer, U, Ermler, U. | | 登録日 | 2013-10-27 | | 公開日 | 2014-08-13 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structural diversity of polyoxomolybdate clusters along the three-fold axis of the molybdenum storage protein.
J.Inorg.Biochem., 138, 2014
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4UMT
 | | Structure of MELK in complex with inhibitors | | 分子名称: | 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium, DIMETHYL SULFOXIDE, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | 著者 | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | 登録日 | 2014-05-21 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase.
Acs Med.Chem.Lett., 6, 2015
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4UMP
 | | Structure of MELK in complex with inhibitors | | 分子名称: | 3-(isoquinolin-7-yl)prop-2-yn-1-ol, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | 著者 | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | 登録日 | 2014-05-20 | | 公開日 | 2014-10-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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4UMQ
 | | Structure of MELK in complex with inhibitors | | 分子名称: | 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | 著者 | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | 登録日 | 2014-05-20 | | 公開日 | 2014-10-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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4UMR
 | | Structure of MELK in complex with inhibitors | | 分子名称: | 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | 著者 | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | 登録日 | 2014-05-20 | | 公開日 | 2014-10-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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4UMU
 | | Structure of MELK in complex with inhibitors | | 分子名称: | (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | 著者 | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | 登録日 | 2014-05-21 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase.
Acs Med.Chem.Lett., 6, 2015
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4UZG
 | | Crystal structure of group B streptococcus pilus 2b backbone protein SAK_1440 | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, SURFACE PROTEIN SPB1 | | 著者 | Malito, E, Cozzi, R, Bottomley, M.J. | | 登録日 | 2014-09-05 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | | 主引用文献 | Structure and assembly of group B streptococcus pilus 2b backbone protein.
PLoS ONE, 10, 2015
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4UX6
 | | The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ... | | 著者 | Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V. | | 登録日 | 2014-08-19 | | 公開日 | 2014-10-08 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
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4S23
 | | Structure of the GcpE-HMBPP complex from Thermus thermophilius | | 分子名称: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | 著者 | Rekittke, I, Warkentin, E, Jomaa, H, Ermler, E. | | 登録日 | 2015-01-19 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure of the GcpE-HMBPP complex from Thermus thermophilius.
Biochem.Biophys.Res.Commun., 458, 2015
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