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: | 2023-08-30 | | 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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1EXQ
 | | CRYSTAL STRUCTURE OF THE HIV-1 INTEGRASE CATALYTIC CORE DOMAIN | | Descriptor: | CADMIUM ION, CHLORIDE ION, POL POLYPROTEIN, ... | | Authors: | Chen, J.C.-H, Krucinski, J, Miercke, L.J.W, Finer-Moore, J.S, Tang, A.H, Leavitt, A.D, Stroud, R.M. | | Deposit date: | 2000-05-03 | | Release date: | 2000-11-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the HIV-1 integrase catalytic core and C-terminal domains: a model for viral DNA binding.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1EX4
 | | HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, INTEGRASE | | Authors: | Chen, J.C.-H, Krucinski, J, Miercke, L.J.W, Finer-Moore, J.S, Tang, A.H, Leavitt, A.D, Stroud, R.M. | | Deposit date: | 2000-04-28 | | Release date: | 2000-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the HIV-1 integrase catalytic core and C-terminal domains: a model for viral DNA binding.
Proc.Natl.Acad.Sci.USA, 97, 2000
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2GCY
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3BT7
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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: | 2023-03-29 | | 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: | 2023-03-29 | | 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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2IST
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6C9W
 | | Crystal Structure of a ligand bound LacY/Nanobody Complex | | Descriptor: | 4-nitrophenyl alpha-D-galactopyranoside, Lactose permease, Nanobody9047, ... | | Authors: | Kumar, H, Finer-Moore, J.S, Jiang, X, Smirnova, I, Kasho, V, Pardon, E, Steyaert, J, Kaback, H.R, Stroud, R.M. | | Deposit date: | 2018-01-29 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of a ligand-bound LacY-Nanobody Complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2BE1
 | | Structure of the compact lumenal domain of yeast Ire1 | | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, peptide | | Authors: | Credle, J.J, Finer-Moore, J.S, Papa, F.R, Stroud, R.M, Walter, P. | | Deposit date: | 2005-10-21 | | Release date: | 2005-12-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.983 Å) | | Cite: | Inaugural Article: On the mechanism of sensing unfolded protein in the endoplasmic reticulum
Proc.Natl.Acad.Sci.Usa, 102, 2005
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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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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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1NCE
 | | Crystal structure of a ternary complex of E. coli thymidylate synthase D169C with dUMP and the antifolate CB3717 | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | Authors: | Birdsall, D.L, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 2002-12-05 | | Release date: | 2002-12-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The only active mutant of thymidylate synthase D169, a residue far from the
site of methyl transfer, demonstrates the exquisite nature of enzyme
specificity.
Protein Eng., 16, 2003
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3R1F
 | | Crystal structure of a key regulator of virulence in Mycobacterium tuberculosis | | Descriptor: | ESX-1 secretion-associated regulator EspR | | Authors: | Rosenberg, O.S, Dovey, C, Finer-Moore, J, Stroud, R.M, Cox, J.S. | | Deposit date: | 2011-03-10 | | Release date: | 2011-08-03 | | Last modified: | 2011-08-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | EspR, a key regulator of Mycobacterium tuberculosis virulence, adopts a unique dimeric structure among helix-turn-helix proteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2TRM
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4ISK
 | | Crystal structure of E.coli thymidylate synthase with dUMP and the BGC 945 inhibitor | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2'-deoxy-5'-uridylic acid, MAGNESIUM ION, ... | | Authors: | Tochowicz, A, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 2013-01-16 | | Release date: | 2013-12-25 | | Last modified: | 2014-02-12 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Development and Binding Mode Assessment of N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-gamma-glutamyl-d-glutamic Acid (BGC 945), a Novel Thymidylate Synthase Inhibitor That Targets Tumor Cells.
J.Med.Chem., 56, 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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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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3NKA
 | | Crystal structure of AqpZ H174G,T183F | | Descriptor: | Aquaporin Z, GLYCEROL, octyl beta-D-glucopyranoside | | Authors: | Savage, D.F, O'Connell III, J.D, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 2010-06-18 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural context shapes the aquaporin selectivity filter.
Proc.Natl.Acad.Sci.USA, 107, 2010
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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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