8C5E
 
 | | E. coli NfsB-T41Q/N71S/F124T mutant bound to nicotinic acid | | 分子名称: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, ... | | 著者 | White, S.A, Hyde, E.I, Day, M.A. | | 登録日 | 2023-01-06 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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8C5F
 | | E. coli NfsB-T41Q/N71S/F124T mutant bound to acetate | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, FLAVIN MONONUCLEOTIDE, ... | | 著者 | White, S.A, Hyde, E.I, Day, M.A. | | 登録日 | 2023-01-07 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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7O7K
 | | Crystal structure of the human DYRK1A kinase domain bound to abemaciclib | | 分子名称: | 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Kaltheuner, I.H, Anand, K, Geyer, M. | | 登録日 | 2021-04-13 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
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8CO6
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8CIM
 | | BA.2-07 FAB IN COMPLEX WITH SARS-COV-2 BA.2.12.1 SPIKE GLYCOPROTEIN | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA.2-07 FAB HEAVY CHAIN, ... | | 著者 | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I, Fry, E.E. | | 登録日 | 2023-02-10 | | 公開日 | 2023-07-05 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Isolation of a pair of potent broadly neutralizing mAb binding to RBD and SD1 domains of SARS-CoV-2
Res Sq, 2023
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6TNK
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7NQO
 | | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... | | 著者 | Selvam, I.R. | | 登録日 | 2021-03-01 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
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6TGG
 | | scFv-1SM3 in complex with glycopeptide containing an sp2-imino sugar | | 分子名称: | 1,2-ETHANEDIOL, Mucin-1, ScFv_SM3, ... | | 著者 | Bermejo, I.A, Navo, C.D, Castro-Lopez, J, Samchez-Fernandez, E.M, Guerreiro, A, Avenoza, A, Busto, J.H, Garcia-Martin, F, Nishimura, S.I, Garcia-Fernandez, J.M, Ortiz-Mellet, C, Bernardes, G.J.L, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F. | | 登録日 | 2019-11-15 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synthesis, conformational analysis and in vivo assays of an anti-cancer vaccine that features an unnatural antigen based on an sp 2 -iminosugar fragment.
Chem Sci, 11, 2020
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7ODL
 | | SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C1 symmetry | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | | 著者 | Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I. | | 登録日 | 2021-04-29 | | 公開日 | 2022-01-26 | | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | | 主引用文献 | Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
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7OD3
 | | SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C3 symmetry | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | | 著者 | Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I. | | 登録日 | 2021-04-28 | | 公開日 | 2022-01-26 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
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7NQM
 | | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 10 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole, CHLORIDE ION, ... | | 著者 | Selvam, I.R. | | 登録日 | 2021-03-01 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
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7NQN
 | | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 14 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... | | 著者 | Selvam, I.R. | | 登録日 | 2021-03-01 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
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6Z8A
 | | Outer membrane FoxA in complex with nocardamine | | 分子名称: | (8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone, DIMETHYL SULFOXIDE, FE (III) ION, ... | | 著者 | Josts, I, Tidow, H. | | 登録日 | 2020-06-02 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Nocardamine-Dependent Iron Uptake in Pseudomonas aeruginosa : Exclusive Involvement of the FoxA Outer Membrane Transporter.
Acs Chem.Biol., 15, 2020
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6ZDH
 | | SARS-CoV-2 Spike glycoprotein in complex with a neutralizing antibody EY6A Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, ... | | 著者 | Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | | 登録日 | 2020-06-14 | | 公開日 | 2020-07-01 | | 最終更新日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
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4CYM
 | | Complex of human VARP-ANKRD1 with Rab32-GppCp | | 分子名称: | ANKYRIN REPEAT DOMAIN-CONTAINING PROTEIN 27, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | | 著者 | Perez-Dorado, I, Schaefer, I.B, McCoy, A.J, Owen, D.J, Evans, P.R. | | 登録日 | 2014-04-13 | | 公開日 | 2014-06-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Varp is Recruited on to Endosomes by Direct Interaction with Retromer, Where Together They Function in Export to the Cell Surface.
Dev.Cell, 29, 2014
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8CM7
 | | W-formate dehydrogenase M405A from Desulfovibrio vulgaris | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, ... | | 著者 | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | | 登録日 | 2023-02-17 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.117 Å) | | 主引用文献 | An allosteric redox switch involved in oxygen protection in a CO 2 reductase.
Nat.Chem.Biol., 20, 2024
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8CM4
 | | W-formate dehydrogenase C872A from Desulfovibrio vulgaris - exposed to oxygen | | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, Formate dehydrogenase, ... | | 著者 | Vilela-Alves, G, Mota, C, Klymanska, K, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | | 登録日 | 2023-02-17 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | An allosteric redox switch involved in oxygen protection in a CO 2 reductase.
Nat.Chem.Biol., 20, 2024
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8CM6
 | | W-formate dehydrogenase C872A from Desulfovibrio vulgaris - with Formamide | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, ... | | 著者 | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | | 登録日 | 2023-02-17 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (1.416 Å) | | 主引用文献 | An allosteric redox switch involved in oxygen protection in a CO 2 reductase.
Nat.Chem.Biol., 20, 2024
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8CM5
 | | W-formate dehydrogenase C872A from Desulfovibrio vulgaris | | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, Formate dehydrogenase, ... | | 著者 | Vilela-Alves, G, Mota, C, Klymanska, K, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | | 登録日 | 2023-02-17 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | An allosteric redox switch involved in oxygen protection in a CO 2 reductase.
Nat.Chem.Biol., 20, 2024
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4DP1
 | | The 1.35 Angstrom crystal structure of reduced (CuI) poplar plastocyanin B at pH 4.0 | | 分子名称: | ACETATE ION, COPPER (I) ION, GLYCEROL, ... | | 著者 | Kachalova, G.S, Shosheva, A.H, Bourenkov, G.P, Donchev, A.A, Dimitrov, M.I, Bartunik, H.D. | | 登録日 | 2012-02-13 | | 公開日 | 2013-02-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structural comparison of the poplar plastocyanin isoforms PCa and PCb sheds new light on the role of the copper site geometry in interactions with redox partners in oxygenic photosynthesis.
J.Inorg.Biochem., 115, 2012
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6DHP
 | | RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.04 Angstrom resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | | 登録日 | 2018-05-20 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
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9BKK
 | | Cholecystokinin 1 receptor (CCK1R) sterol 7M mutant, Gq chimera (mGsqi) complex | | 分子名称: | Cholecystokinin receptor type A, Cholecystokinin-8, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Harikumar, K.G, Zhao, P, Cary, B.P, Xu, X, Desai, A.J, Mobbs, J.I, Toufaily, C, Furness, S.G.B, Christopoulos, A, Belousoff, M.J, Wootten, D, Sexton, P.M, Miller, L.J. | | 登録日 | 2024-04-29 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (2.51 Å) | | 主引用文献 | Cholesterol-dependent dynamic changes in the conformation of the type 1 cholecystokinin receptor affect ligand binding and G protein coupling.
Plos Biol., 22, 2024
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4DP4
 | | The 1.54 Angstrom crystal structure of reduced (CuI) poplar plastocyanin B at pH 6.0 | | 分子名称: | COPPER (I) ION, GLYCEROL, Plastocyanin B, ... | | 著者 | Kachalova, G.S, Shosheva, A.H, Bourenkov, G.P, Donchev, A.A, Dimitrov, M.I, Bartunik, H.D. | | 登録日 | 2012-02-13 | | 公開日 | 2013-02-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Structural comparison of the poplar plastocyanin isoforms PCa and PCb sheds new light on the role of the copper site geometry in interactions with redox partners in oxygenic photosynthesis.
J.Inorg.Biochem., 115, 2012
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4MEL
 | | Crystal Structure of the human USP11 DUSP-UBL domains | | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 11 | | 著者 | Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I. | | 登録日 | 2013-08-27 | | 公開日 | 2014-05-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.899 Å) | | 主引用文献 | Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains.
Biochemistry, 53, 2014
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6NQN
 | | Crystal structure of fast switching M159T mutant of fluorescent protein Dronpa (Dronpa2), Y63(3-BrY) | | 分子名称: | Fluorescent protein Dronpa | | 著者 | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | | 登録日 | 2019-01-21 | | 公開日 | 2019-06-12 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Electrostatic control of photoisomerization pathways in proteins.
Science, 367, 2020
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