4I6Z
 
 | | Crystal structure of the transcriptional regulator TM1030 with 24bp DNA oligonucleotide | | Descriptor: | DNA OLIGONUCLEOTIDE, Transcriptional regulator, TetR family | | Authors: | Koclega, K.D, Chruszcz, M, Cooper, D.R, Petkowski, J.J, Tkaczuk, K.L, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-11-30 | | Release date: | 2013-01-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the transcriptional regulator TM1030 with 24bp DNA oligonucleotide
To be Published
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4J9J
 | | Structure of designed HisF | | Descriptor: | Imidazole glycerol phosphate synthase subunit HisF | | Authors: | Sterner, R, Rajendran, C, Sperl, J. | | Deposit date: | 2013-02-16 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Establishing catalytic activity on an artificial ( beta alpha )8-barrel protein designed from identical half-barrels.
Febs Lett., 587, 2013
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4GTE
 | | T. Maritima FDTS (E144R mutant) with FAD and Folate | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4GT9
 | | T. Maritima FDTS with FAD, dUMP and Folate. | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4GTD
 | | T. Maritima FDTS (E144R mutant) with FAD and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4I76
 | | Crystal structure of transcriptional regulator TM1030 with octanol | | Descriptor: | 1,2-ETHANEDIOL, OCTAN-1-OL, Transcriptional regulator, ... | | Authors: | Koclega, K.D, Chruszcz, M, Cooper, D.R, Petkowski, J.J, Tkaczuk, K.L, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-11-30 | | Release date: | 2013-01-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of transcriptional regulator TM1030 with octanol
To be Published
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4KAR
 | | Crystal structure of FDTS (TM0449) mutant (H53D) with FAD | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NONAETHYLENE GLYCOL, Thymidylate synthase | | Authors: | Mathews, I.I. | | Deposit date: | 2013-04-22 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Flavin-Dependent Thymidylate Synthase as a Drug Target for Deadly Microbes: Mutational Study and a Strategy for Inhibitor Design.
J Bioterror Biodef, Suppl 12, 2013
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4GTB
 | | T. Maritima FDTS with FAD, dUMP, and Raltitrexed. | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4GTL
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4GTA
 | | T. Maritima FDTS with FAD, dUMP, and Folinic Acid | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4GTF
 | | T. Maritima FDTS (H53A mutant) with FAD, dUMP and Folate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mathews, I.I, Lesley, S.A, Kohen, A. | | Deposit date: | 2012-08-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4KAT
 | | Crystal structure of FDTS from T. maritima mutant (R174K) with FAD and dUMP | | Descriptor: | 2'-DEOXYURIDINE-5'-MONOPHOSPHATE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Thymidylate synthase | | Authors: | Mathews, I.I. | | Deposit date: | 2013-04-22 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Flavin-Dependent Thymidylate Synthase as a Drug Target for Deadly Microbes: Mutational Study and a Strategy for Inhibitor Design.
J Bioterror Biodef, Suppl 12, 2013
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4KAS
 | | Crystal structure of FDTS from T. maritima mutant (H53D) with FAD and dUMP | | Descriptor: | 2'-DEOXYURIDINE-5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mathews, I.I. | | Deposit date: | 2013-04-22 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Flavin-Dependent Thymidylate Synthase as a Drug Target for Deadly Microbes: Mutational Study and a Strategy for Inhibitor Design.
J Bioterror Biodef, Suppl 12, 2013
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3E57
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5FEX
 | | HydE from T. maritima in complex with Se-adenosyl-L-selenocysteine (tfinal of the reaction) | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, CHLORIDE ION, ... | | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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7OG9
 | | GTPase HRAS under ambient pressure | | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Colloc'h, N, Girard, E, Prange, T, Kalbitzer, H.R. | | Deposit date: | 2021-05-06 | | Release date: | 2022-02-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
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6YC8
 | | Crystal structure of KRED1-Pglu enzyme | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Di Pisa, F. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural insights into the desymmetrization of bulky 1,2-dicarbonyls through enzymatic monoreduction.
Bioorg.Chem., 108, 2021
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5FF4
 | | HydE from T. maritima in complex with (2R,4R)-TMeTDA | | Descriptor: | (2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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7P4M
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7P4Q
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7P4P
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5FEZ
 | | HydE from T. maritima in complex with (2R,4R)-MeSeTDA, 5'-deoxyadenosine and methionine | | Descriptor: | (2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, ... | | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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7O25
 | | Complex-B bound [FeFe]-hydrogenase maturase HydE from T. maritima (reaction triggered in the crystal) | | Descriptor: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBON MONOXIDE, ... | | Authors: | Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y. | | Deposit date: | 2021-03-30 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
J.Am.Chem.Soc., 143, 2021
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7O1P
 | | [FeFe]-hydrogenase maturase HydE from T. Maritima (C-ter stretch absent) | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBONATE ION, CHLORIDE ION, ... | | Authors: | Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y. | | Deposit date: | 2021-03-30 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
J.Am.Chem.Soc., 143, 2021
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7O26
 | | Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. Maritima (5'dA + Methionine) | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, CARBON MONOXIDE, ... | | Authors: | Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y. | | Deposit date: | 2021-03-30 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
J.Am.Chem.Soc., 143, 2021
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