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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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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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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7REY
 | | MYCOBACTERIUM ABSCESSUS TRNA METHYLTRANSFERASE IN APO FORM | | Descriptor: | SODIUM ION, 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 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structure of divalent Mg2+ dependent Mycobacterium abscessus tRNA (m1 G37) Methyltransferase (TrmD)
To Be Published
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8SH4
 | | Crystal structure of the tRNA (m1G37) methyltransferase apoenzyme from Anaplasma phagocytophilum | | Descriptor: | GLYCEROL, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Jannotta, C, Edele, D, Levanti, D, Carson, M, Prucha, G, Caesar, J, Picchiello, C, Collins, K, Garland, E, Handley-Pendleton, J, Hernandez, V, Leffler, S, Williams, D, Stojanoff, V, Perez, A, Halloran, J, Bolen, R. | | Deposit date: | 2023-04-13 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the m1G37 tRNA methyltransferase apoenzyme from Anaplasma phagocytophilum
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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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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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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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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7FSB
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 41 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3,4-dihydroxybenzene-1-sulfonamide, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (2.495 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FS2
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 13 | | Descriptor: | (1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (2.374 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FS1
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 11 | | Descriptor: | (1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (1.863 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FS6
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 18 | | Descriptor: | (10aM)-6-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (2.241 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FS5
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 17 | | Descriptor: | (10aP)-6-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FS7
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 20 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzene-1-sulfonamide, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (2.774 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FSD
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 44 | | Descriptor: | (1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (1.769 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FRY
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 6 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-3,4-dihydroxybenzene-1-sulfonamide, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (1.958 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FS0
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 8 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide, MAGNESIUM ION, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (2.412 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FRV
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 3 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4,4'-sulfonyldi(benzene-1,2-diol), MAGNESIUM ION, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FS9
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 22 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[4-(4-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol, MAGNESIUM ION, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (1.721 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FS8
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 21 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol, MAGNESIUM ION, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (2.098 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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7FRX
 | | Structure of liver pyruvate kinase in complex with allosteric modulator 5 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-sulfonamide, ... | | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | | Deposit date: | 2022-12-18 | | Release date: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (1.847 Å) | | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
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