6PEY
 
 | | MTHFR with mutation Asp120Ala | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase | | Authors: | Gallagher, E.L, Gurney, L.A, Frasco, F.G, Trimmer, E, Bolen, R.L, Collins, K, Garland, E, Halloran, J, Handley-Pendelton, J, Hernandez, V, Leffler, S, Perez, A, Soares, A, Stojanoff, V, Williams, D. | | Deposit date: | 2019-06-21 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Examination of Asp120Ala a Chemically Important Novel Mutation in the Enzyme Mthylenetetrahydrofolate Reductase
To be published
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6MSX
 | | Iron containing ferritin at 1.43A | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ... | | Authors: | Blackburn, A, Partowmah, S.H, Brennan, H.M, Mestizo, K.E, Stivala, C.D, Petreczky, J, Perez, A, Horn, A, McSweeney, S. | | Deposit date: | 2018-10-18 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | A simple technique to improve microcrystals using gel exclusion of nucleation inducing elements
To Be Published
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6MX9
 | | Lysozyme bound to 3-Aminophenol | | Descriptor: | 1,2-ETHANEDIOL, 3-aminophenol, BENZAMIDINE, ... | | Authors: | Blackburn, A, Partowmah, S.H, Brennan, H.M, Mestizo, K.E, Stivala, C.D, Petreczky, J, Perez, A, Horn, A, McSweeney, S. | | Deposit date: | 2018-10-30 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A simple technique to improve microcrystals using gel exclusion of nucleation inducing elements
To Be Published
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8TXA
 | | Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum | | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Balsamo, A, Bruno, C, Edele, C, Fabian, T, Jannotta, R, Lee, R, Schryver, D, Warsaw, J, Warsaw, L, Stojanoff, V, Battaile, K, Perez, A, Bolen, R. | | Deposit date: | 2023-08-23 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum
To Be Published
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5SCJ
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 106 | | Descriptor: | (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, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (2.354 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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5SCL
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 1 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, ALIZARIN RED, MAGNESIUM ION, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (2.134 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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5SDT
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 15 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2022-01-20 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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5SCG
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 101 | | Descriptor: | (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, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (1.937 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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5SCD
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 58 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (2.041 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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5SCF
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 99 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (2.185 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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5SC8
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 17 | | Descriptor: | 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, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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5SCE
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 55 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (2.147 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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5SCB
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 28 | | Descriptor: | (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, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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5SCI
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 105 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (2.155 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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5SCK
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 42 | | Descriptor: | 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (1.717 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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5SCH
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 100 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (2.089 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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5SCA
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 36 | | Descriptor: | 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, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (1.918 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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5SCC
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 57 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, MAGNESIUM ION, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (1.885 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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5SC9
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 29 | | Descriptor: | 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, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (1.685 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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7QZU
 | | Structure of liver pyruvate kinase in complex with anthraquinone derivative 47 | | Descriptor: | (2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | | Authors: | Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M. | | Deposit date: | 2022-01-31 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.964 Å) | | Cite: | Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
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7REZ
 | | MYCOBACTERIUM ABSCESSUS TRNA METHYLTRANSFERASE IN COMPLEX WITH S-ADENOSYL-L-HOMOCYSTEINE | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Prucha, G.R, Ismail, M, Suske, A, Das, B, Oz, M, Perez, A, Bolen, R, Jayaraman, S, Stojanoff, V, Halloran, J. | | Deposit date: | 2021-07-13 | | Release date: | 2023-01-18 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of divalent Mg+2 dependent Mycobacterium abscessus tRNA (m1 G37) Methyltransferase (TrmD)
To Be Published
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7RF0
 | | MYCOBACTERIUM ABSCESSUS TRNA METHYLTRANSFERASE IN COMPLEX WITH S-ADENOSYL-L-HOMOCYSTEINE AND MAGNESIUM | | Descriptor: | MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Prucha, G.R, Ismail, M, Suske, A, Das, B, Oz, M, Perez, A, Bolen, R, Jayaraman, S, Stojanoff, V, Halloran, J. | | Deposit date: | 2021-07-13 | | Release date: | 2023-01-18 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystal structure of divalent Mg+2 dependent Mycobacterium abscessus tRNA (m1 G37) Methyltransferase (TrmD)
To Be Published
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4JEB
 | | Crystal structure of an engineered RIDC1 tetramer with four interfacial disulfide bonds and four three-coordinate Zn(II) sites | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, soluble cytochrome b562 | | Authors: | Tezcan, F.A, Medina-Morales, A.M, Perez, A, Brodin, J.D. | | Deposit date: | 2013-02-26 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | In Vitro and Cellular Self-Assembly of a Zn-Binding Protein Cryptand via Templated Disulfide Bonds.
J.Am.Chem.Soc., 135, 2013
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4JEA
 | | Crystal structure of an engineered Zn-RIDC1 construct with four interfacial disulfide bonds | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ZINC ION, ... | | Authors: | Tezcan, F.A, Medina-Morales, A.M, Perez, A, Brodin, J.D. | | Deposit date: | 2013-02-26 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | In Vitro and Cellular Self-Assembly of a Zn-Binding Protein Cryptand via Templated Disulfide Bonds.
J.Am.Chem.Soc., 135, 2013
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4JE9
 | | Crystal structure of an engineered metal-free RIDC1 construct with four interfacial disulfide bonds | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562 | | Authors: | Tezcan, F.A, Medina-Morales, A.M, Perez, A, Brodin, J.D. | | Deposit date: | 2013-02-26 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | In Vitro and Cellular Self-Assembly of a Zn-Binding Protein Cryptand via Templated Disulfide Bonds.
J.Am.Chem.Soc., 135, 2013
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