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5SCF
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BU of 5scf by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 99
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.185 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SDT
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BU of 5sdt by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 15
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2022-01-20
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCG
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BU of 5scg by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 101
分子名称: (3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.937 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCJ
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BU of 5scj by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 106
分子名称: (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCB
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BU of 5scb by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 28
分子名称: (3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SC9
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BU of 5sc9 by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 29
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.685 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCC
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BU of 5scc by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 57
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCL
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BU of 5scl by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 1
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, ALIZARIN RED, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.134 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCE
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BU of 5sce by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 55
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.147 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCD
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BU of 5scd by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 58
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.041 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCH
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BU of 5sch by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 100
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SC8
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BU of 5sc8 by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 17
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCA
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BU of 5sca by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 36
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.918 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5CW8
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BU of 5cw8 by Molmil
Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-4-cholesten-26-oyl-CoA
分子名称: HTH-type transcriptional repressor KstR, S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name), TRIETHYLENE GLYCOL
著者Ho, N.A.T, Dawes, S, Kendall, S, Casabon, I, Crowe, A.M, Baker, E.N, Eltis, L.D, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2015-07-27
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
5CXG
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BU of 5cxg by Molmil
Crystal structure of Mycobacterium tuberculosis KstR in complex with PEG
分子名称: DI(HYDROXYETHYL)ETHER, HTH-type transcriptional repressor KstR, TRIETHYLENE GLYCOL
著者Ho, N.A.T, Dawes, S, Kendall, S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2015-07-28
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1001 Å)
主引用文献The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
5CXI
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BU of 5cxi by Molmil
Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA (4-BNC-CoA)
分子名称: 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA, HTH-type transcriptional repressor KstR
著者Ho, N.A.T, Dawes, S, Kendall, S, Casabon, I, Crowe, A.M, Baker, E.N, Eltis, L.D, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2015-07-29
公開日2016-02-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
8WR4
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BU of 8wr4 by Molmil
Structure of CbCas9-PcrIIC1 complex bound to 62-bp DNA substrate (non-targeting complex)
分子名称: CbCas9 effector-1, DNA (62-MER), MAGNESIUM ION, ...
著者Zhang, S, Lin, S, Liu, J.J.G.
登録日2023-10-13
公開日2024-06-05
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity.
Nature, 630, 2024
8WMH
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BU of 8wmh by Molmil
Structure of CbCas9 bound to 6-nucleotide complementary DNA substrate
分子名称: NTS, TS, deadCbCas9, ...
著者Zhang, S, Lin, S, Liu, J.J.G.
登録日2023-10-03
公開日2024-06-05
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity.
Nature, 630, 2024
8WMM
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BU of 8wmm by Molmil
Structure of CbCas9-PcrIIC1 complex bound to 28-bp DNA substrate (20-nt complementary)
分子名称: MAGNESIUM ION, NTS, PcrIIC1, ...
著者Zhang, S, Lin, S, Liu, J.J.G.
登録日2023-10-04
公開日2024-06-05
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity.
Nature, 630, 2024
8WMN
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BU of 8wmn by Molmil
Structure of CbCas9-PcrIIC1 complex bound to 62-bp DNA substrate (symmetric 20-nt complementary)
分子名称: DNA (62-MER), MAGNESIUM ION, PcrIIC1, ...
著者Zhang, S, Lin, S, Liu, J.J.G.
登録日2023-10-04
公開日2024-06-05
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity.
Nature, 630, 2024
7VVW
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BU of 7vvw by Molmil
MmtN-SAM complex
分子名称: GLYCEROL, PHOSPHATE ION, S-ADENOSYLMETHIONINE, ...
著者Zhang, Y.Z, Peng, M, Li, C.Y.
登録日2021-11-09
公開日2022-04-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Insights into methionine S-methylation in diverse organisms.
Nat Commun, 13, 2022
7VVV
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BU of 7vvv by Molmil
Crystal structure of MmtN
分子名称: PHOSPHATE ION, SAM-dependent methyltransferase
著者Peng, M, Li, C.Y.
登録日2021-11-09
公開日2022-04-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Insights into methionine S-methylation in diverse organisms.
Nat Commun, 13, 2022
7VVX
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BU of 7vvx by Molmil
MmtN-SAH-Met complex
分子名称: METHIONINE, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Zhang, Y.Z, Peng, M, Li, C.Y.
登録日2021-11-09
公開日2022-04-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Insights into methionine S-methylation in diverse organisms.
Nat Commun, 13, 2022
7FCP
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BU of 7fcp by Molmil
Crystallographic structure of two neutralizing antibodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Zheng, P, Jin, T.
登録日2021-07-15
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022
7FCQ
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BU of 7fcq by Molmil
Crystallographic structure of neutralizing antibody P14-44 in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, P14-44 antibody Fab fragment heavy chain, ...
著者Zheng, P, Jin, T.
登録日2021-07-15
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022

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