7FBC
 
 | | De novo design protein D22 with MBP tag | | 分子名称: | Maltodextrin-binding protein,De novo design protein D22 | | 著者 | Bin, H. | | 登録日 | 2021-07-09 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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5HKF
 | | Crystal structure of Mycobacterium tuberculosis H37Rv orotate phosphoribosyltransferase in complex with 5-phospho-alpha-D-ribosyl 1-diphosphate (PRPP) | | 分子名称: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Orotate phosphoribosyltransferase | | 著者 | Donini, S, Ferraris, D.M, Bolognesi, G, Rizzi, M. | | 登録日 | 2016-01-14 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural investigations on orotate phosphoribosyltransferase from Mycobacterium tuberculosis, a key enzyme of the de novo pyrimidine biosynthesis.
Sci Rep, 7, 2017
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5HKL
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5HKI
 | | Crystal structure of Mycobacterium tuberculosis H37Rv orotate phosphoribosyltransferase in complex with Fe(III) dicitrate | | 分子名称: | Iron(III) dicitrate, Orotate phosphoribosyltransferase | | 著者 | Donini, S, Ferraris, D.M, Bolognesi, G, Rizzi, M. | | 登録日 | 2016-01-14 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural investigations on orotate phosphoribosyltransferase from Mycobacterium tuberculosis, a key enzyme of the de novo pyrimidine biosynthesis.
Sci Rep, 7, 2017
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6TJ1
 | | Crystal structure of a de novo designed hexameric helical-bundle protein | | 分子名称: | De novo designed WSHC6, purification tag | | 著者 | Xu, C, Pei, X.Y, Luisi, B.F, Baker, D. | | 登録日 | 2019-11-23 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Computational design of transmembrane pores.
Nature, 585, 2020
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6FMV
 | | IMISX-EP of Hg-BacA soaking SIRAS | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, ... | | 著者 | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | | 登録日 | 2018-02-02 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
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6FMX
 | | IMISX-EP of W-PgpB | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phosphatidylglycerophosphatase B, TUNGSTATE(VI)ION | | 著者 | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | | 登録日 | 2018-02-02 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
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6Q2F
 | | Structure of Rhamnosidase from Novosphingobium sp. PP1Y | | 分子名称: | Glycoside hydrolase family protein, SODIUM ION | | 著者 | Terry, B, Ha, J, Izzo, V, Sazinsky, M.H. | | 登録日 | 2019-08-07 | | 公開日 | 2019-11-27 | | 最終更新日 | 2019-12-18 | | 実験手法 | X-RAY DIFFRACTION (2.20000076 Å) | | 主引用文献 | The crystal structure and insight into the substrate specificity of the alpha-L rhamnosidase RHA-P from Novosphingobium sp. PP1Y.
Arch.Biochem.Biophys., 679, 2019
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5KB0
 | | Crystal Structure of a Tris-thiolate Pb(II) Complex in a de Novo Three-stranded Coiled Coil Peptide | | 分子名称: | CHLORIDE ION, LEAD (II) ION, Pb(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, ... | | 著者 | Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. | | 登録日 | 2016-06-02 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
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5K92
 | | Crystal Structure of an apo Tris-thiolate Binding Site in a de novo Three Stranded Coiled Coil Peptide | | 分子名称: | Apo-(CSL16C)3, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. | | 登録日 | 2016-05-31 | | 公開日 | 2016-08-31 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
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8IJX
 | | Cryo-EM structure of the gastric proton pump with bound DQ-18 | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Abe, K, Yokoshima, S, Yoshimori, A. | | 登録日 | 2023-02-28 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (2.08 Å) | | 主引用文献 | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
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8IJW
 | | Cryo-EM structure of the gastric proton pump with bound DQ-06 | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | 著者 | Abe, K, Yokoshima, S, Yoshimori, A. | | 登録日 | 2023-02-28 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (2.19 Å) | | 主引用文献 | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
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8IJV
 | | Cryo-EM structure of the gastric proton pump with bound DQ-02 | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-N-methyl-but-2-yn-1-amine, ... | | 著者 | Abe, K, Yokoshima, S, Yoshimori, A. | | 登録日 | 2023-02-28 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | | 主引用文献 | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
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5D9D
 | | Luciferin-regenerating enzyme solved by SAD using synchrotron radiation at room temperature | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | | 著者 | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | | 登録日 | 2015-08-18 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
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5D9C
 | | Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against Hg derivative data) | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | | 著者 | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | | 登録日 | 2015-08-18 | | 公開日 | 2015-09-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
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6PLF
 | | Crystal structure of human PHGDH complexed with Compound 1 | | 分子名称: | 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase | | 著者 | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | | 登録日 | 2019-06-30 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
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5K7H
 | | Crystal structure of AibR in complex with the effector molecule isovaleryl coenzyme A | | 分子名称: | CHLORIDE ION, Isovaleryl-coenzyme A, NICKEL (II) ION, ... | | 著者 | Bock, T, Volz, C, Mueller, R, Blankenfeldt, W. | | 登録日 | 2016-05-26 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Nucleic Acids Res., 45, 2017
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5KEZ
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6W3D
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6W3G
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6W3F
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5EOJ
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1U0I
 | | IAAL-E3/K3 heterodimer | | 分子名称: | IAAL-E3, IAAL-K3 | | 著者 | Lindhout, D.A, Litowski, J.R, Mercier, P, Hodges, R.S, Sykes, B.D. | | 登録日 | 2004-07-13 | | 公開日 | 2004-10-19 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR solution structure of a highly stable de novo heterodimeric coiled-coil
Biopolymers, 75, 2004
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1ABZ
 | | ALPHA-T-ALPHA, A DE NOVO DESIGNED PEPTIDE, NMR, 23 STRUCTURES | | 分子名称: | ALPHA-T-ALPHA | | 著者 | Fezoui, Y, Connolly, P.J, Osterhout, J.J. | | 登録日 | 1997-01-31 | | 公開日 | 1998-02-04 | | 最終更新日 | 2022-02-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of alpha t alpha, a helical hairpin peptide of de novo design.
Protein Sci., 6, 1997
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4KVT
 | | Crystal structure of a 6-helix coiled coil CC-Hex-L24C | | 分子名称: | 6-helix coiled coil CC-Hex-L24C peptide | | 著者 | Burton, A.J, Agnew, C, Brady, R.L, Woolfson, D.N. | | 登録日 | 2013-05-23 | | 公開日 | 2013-08-21 | | 最終更新日 | 2013-09-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Accessibility, Reactivity, and Selectivity of Side Chains within a Channel of de Novo Peptide Assembly.
J.Am.Chem.Soc., 135, 2013
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