1BQ2
 
 | | E. COLI THYMIDYLATE SYNTHASE MUTANT N177A | | Descriptor: | PHOSPHATE ION, THYMIDYLATE SYNTHASE | | Authors: | Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 1998-08-20 | | Release date: | 1999-04-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer.
J.Mol.Biol., 284, 1998
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3BT7
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3DH3
 | | Crystal Structure of RluF in complex with a 22 nucleotide RNA substrate | | Descriptor: | Ribosomal large subunit pseudouridine synthase F, stem loop fragment of E. Coli 23S RNA | | Authors: | Alian, A, DeGiovanni, A, Stroud, R.M, Finer-Moore, J.S. | | Deposit date: | 2008-06-16 | | Release date: | 2009-04-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of an RluF-RNA complex: a base-pair rearrangement is the key to selectivity of RluF for U2604 of the ribosome.
J.Mol.Biol., 388, 2009
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8CUY
 | | ACP1-KS-AT domains of mycobacterial Pks13 | | Descriptor: | 4'-PHOSPHOPANTETHEINE, Polyketide synthase PKS13, UNKNOWN LIGAND | | Authors: | Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M. | | Deposit date: | 2022-05-17 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
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8CV0
 | | KS-AT domains of mycobacterial Pks13 with outward AT conformation | | Descriptor: | Polyketide synthase PKS13, UNKNOWN LIGAND | | Authors: | Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M. | | Deposit date: | 2022-05-17 | | Release date: | 2023-02-15 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
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8CUZ
 | | KS-AT domains of mycobacterial Pks13 with inward AT conformation | | Descriptor: | Polyketide synthase PKS13, UNKNOWN LIGAND | | Authors: | Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M. | | Deposit date: | 2022-05-17 | | Release date: | 2023-02-15 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
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8CV1
 | | ACP1-KS-AT domains of mycobacterial Pks13 | | Descriptor: | Polyketide synthase PKS13, UNKNOWN LIGAND | | Authors: | Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M. | | Deposit date: | 2022-05-17 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
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1BPJ
 | | THYMIDYLATE SYNTHASE R178T, R179T DOUBLE MUTANT | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE) | | Authors: | Morse, R.J, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 1998-08-11 | | Release date: | 1998-08-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
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1BP6
 | | THYMIDYLATE SYNTHASE R23I, R179T DOUBLE MUTANT | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE) | | Authors: | Morse, R.J, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 1998-08-13 | | Release date: | 1998-08-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
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3NE2
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4E28
 | | Structure of human thymidylate synthase in inactive conformation with a novel non-peptidic inhibitor | | Descriptor: | 2-{(2Z,5S)-4-hydroxy-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{(5S)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, SULFATE ION, ... | | Authors: | Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P. | | Deposit date: | 2012-03-07 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Inhibitor of ovarian cancer cells growth by virtual screening: a new thiazole derivative targeting human thymidylate synthase.
J.Med.Chem., 55, 2012
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4FGT
 | | Allosteric peptidic inhibitor of human thymidylate synthase that stabilizes inactive conformation of the enzyme. | | Descriptor: | CG peptide, SULFATE ION, Thymidylate synthase | | Authors: | Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P. | | Deposit date: | 2012-06-04 | | Release date: | 2013-03-06 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Alanine mutants of the interface residues of human thymidylate synthase decode key features of the binding mode of allosteric anticancer peptides.
J.Med.Chem., 58, 2015
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3NK5
 | | Crystal structure of AqpZ mutant F43W | | Descriptor: | Aquaporin Z, octyl beta-D-glucopyranoside | | Authors: | Savage, D.F, O'Connell, J.D, Stroud, R.M, Finer-Moore, J.S. | | Deposit date: | 2010-06-18 | | Release date: | 2010-08-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural context shapes the aquaporin selectivity filter.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2G8X
 | | Escherichia coli Y209W apoprotein | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CARBONATE ION, PHOSPHATE ION, ... | | Authors: | Lee, T.T, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 2006-03-03 | | Release date: | 2006-03-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | The role of protein dynamics in thymidylate synthase catalysis: Variants of conserved dUMP-binding Tyr-261
TO BE PUBLISHED
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2OML
 | | crystal structure of E. coli pseudouridine synthase RluE | | Descriptor: | Ribosomal large subunit pseudouridine synthase E, SULFATE ION | | Authors: | Pan, H, Ho, J.D, Stroud, R.M, Finer-Moore, J. | | Deposit date: | 2007-01-22 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The Crystal Structure of E. coli rRNA Pseudouridine Synthase RluE.
J.Mol.Biol., 367, 2007
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2OLW
 | | Crystal Structure of E. coli pseudouridine synthase RluE | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETIC ACID, Ribosomal large subunit pseudouridine synthase E, ... | | Authors: | Pan, H, Ho, J.D, Stroud, R.M, Finer-Moore, J. | | Deposit date: | 2007-01-19 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Crystal Structure of E. coli rRNA Pseudouridine Synthase RluE.
J.Mol.Biol., 367, 2007
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3FBV
 | | Crystal structure of the oligomer formed by the kinase-ribonuclease domain of Ire1 | | Descriptor: | N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Korennykh, A.V, Egea, P.F, Korostelev, A.A, Finer-Moore, J, Zhang, C, Shokat, K.M, Stroud, R.M, Walter, P. | | Deposit date: | 2008-11-19 | | Release date: | 2008-12-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The unfolded protein response signals through high-order assembly of Ire1.
Nature, 457, 2009
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4ZYR
 | | Crystal structure of E. coli Lactose permease G46W/G262W bound to p-nitrophenyl alpha-D-galactopyranoside (alpha-NPG) | | Descriptor: | 4-nitrophenyl alpha-D-galactopyranoside, Lactose permease, nonyl beta-D-glucopyranoside | | Authors: | Kumar, H, Finer-Moore, J.S, Kaback, H.R, Stroud, R.M. | | Deposit date: | 2015-05-22 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.312 Å) | | Cite: | Structure of LacY with an alpha-substituted galactoside: Connecting the binding site to the protonation site.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3SDM
 | | Structure of oligomeric kinase/RNase Ire1 in complex with an oligonucleotide | | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Korennykh, A, Korostelev, A, Egea, P, Finer-Moore, J, Zhang, C, Stroud, R, Shokat, K, Walter, P. | | Deposit date: | 2011-06-09 | | Release date: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (6.6 Å) | | Cite: | Cofactor-mediated conformational control in the bifunctional kinase/RNase Ire1.
Bmc Biol., 9, 2011
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4GGM
 | | Structure of LpxI | | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, MAGNESIUM ION, UDP-2,3-diacylglucosamine pyrophosphatase LpxI | | Authors: | Metzger IV, L.E, Lee, J.K, Finer-Moore, J.S, Raetz, C.R.H, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2012-08-06 | | Release date: | 2012-10-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.897 Å) | | Cite: | LpxI structures reveal how a lipid A precursor is synthesized.
Nat.Struct.Mol.Biol., 19, 2012
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4J6E
 | | Structure of LPXI D225A Mutant | | Descriptor: | (2R,3R,4R,5S,6R)-2-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3R)-3-hydroxytetradecanoyl]amino}tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate, UDP-2,3-diacylglucosamine pyrophosphatase LpxI | | Authors: | Metzger IV, L.E, Lee, J.K, Finer-Moore, J.S, Raetz, C.R.H, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2013-02-11 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | LpxI structures reveal how a lipid A precursor is synthesized.
Nat.Struct.Mol.Biol., 19, 2012
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2TRM
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4J37
 | | Crystal structure of the catalytic domain of human Pus1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | | Authors: | Czudnochowski, N, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 2013-02-05 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | In Human Pseudouridine Synthase 1 (hPus1), a C-Terminal Helical Insert Blocks tRNA from Binding in the Same Orientation as in the Pus1 Bacterial Homologue TruA, Consistent with Their Different Target Selectivities.
J.Mol.Biol., 425, 2013
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4IQM
 | | Crystal structure of the catalytic domain of human Pus1 | | Descriptor: | tRNA pseudouridine synthase A, mitochondrial | | Authors: | Czudnochowski, N, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 2013-01-11 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | In Human Pseudouridine Synthase 1 (hPus1), a C-Terminal Helical Insert Blocks tRNA from Binding in the Same Orientation as in the Pus1 Bacterial Homologue TruA, Consistent with Their Different Target Selectivities.
J.Mol.Biol., 425, 2013
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4ITS
 | | Crystal structure of the catalytic domain of human Pus1 with MES in the active site | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, tRNA pseudouridine synthase A, ... | | Authors: | Czudnochowski, N, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 2013-01-18 | | Release date: | 2013-06-05 | | Last modified: | 2013-10-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | In Human Pseudouridine Synthase 1 (hPus1), a C-Terminal Helical Insert Blocks tRNA from Binding in the Same Orientation as in the Pus1 Bacterial Homologue TruA, Consistent with Their Different Target Selectivities.
J.Mol.Biol., 425, 2013
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