1TSY
 
 | | THYMIDYLATE SYNTHASE R179K MUTANT | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1995-12-05 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase.
Protein Eng., 9, 1996
|
|
1TVU
 | |
1TVW
 | |
1TVV
 | |
1TIS
 | |
4TMS
 | |
6NNR
 | | high-resolution structure of wild-type E. coli thymidylate synthase | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Stroud, R.M, Finer-Moore, J. | | Deposit date: | 2019-01-15 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Mg2+ binds to the surface of thymidylate synthase and affects hydride transfer at the interior active site.
J. Am. Chem. Soc., 135, 2013
|
|
6VBG
 | | Lactose permease complex with thiodigalactoside and nanobody 9043 | | Descriptor: | Galactoside permease, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose, nanobody 9043, ... | | Authors: | Kumar, H, Stroud, R.M, Kaback, H.R, Finer-Moore, J, Smirnova, I, Kasho, V, Pardon, E, Steyart, J. | | Deposit date: | 2019-12-18 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Diversity in kinetics correlated with structure in nano body-stabilized LacY.
Plos One, 15, 2020
|
|
1AJM
 | |
7JXF
 | | E. coli TSase complex with a bi-substrate reaction intermediate diastereomer analog | | Descriptor: | (2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), 5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE, N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid, ... | | Authors: | Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A, Moliner, V, Swiderek, K. | | Deposit date: | 2020-08-27 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog.
Biochemistry, 60, 2021
|
|
7JX1
 | | E. coli TSase complex with a bi-substrate reaction intermediate analog | | Descriptor: | (2S)-2-({4-[({(6R)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid, PHOSPHATE ION, ... | | Authors: | Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A. | | Deposit date: | 2020-08-26 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog.
Biochemistry, 60, 2021
|
|
2BBQ
 | | STRUCTURAL BASIS FOR RECOGNITION OF POLYGLUTAMYL FOLATES BY THYMIDYLATE SYNTHASE | | Descriptor: | 10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Kamb, A, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1992-09-16 | | Release date: | 1994-01-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for recognition of polyglutamyl folates by thymidylate synthase.
Biochemistry, 31, 1992
|
|
3TMS
 | |
7UK4
 | | KS-AT di-domain of mycobacterial Pks13 with endogenous KS ligand bound | | 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: | 2022-03-31 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (1.94 Å) | | Cite: | Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
|
|
1BP0
 | | THYMIDYLATE SYNTHASE R23I MUTANT | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE) | | Authors: | Morse, R, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1998-08-11 | | Release date: | 2000-01-12 | | 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
|
|
1BO8
 | | THYMIDYLATE SYNTHASE R178T MUTANT | | Descriptor: | POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE), URIDINE-5'-MONOPHOSPHATE | | Authors: | Morse, R, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1998-08-10 | | 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
|
|
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
|
|
1DNA
 | | D221(169)N MUTANT DOES NOT PROMOTE OPENING OF THE COFACTOR IMIDAZOLIDINE RING | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Sage, C.R, Michelitsch, M.D, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1998-06-25 | | Release date: | 1998-11-04 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | D221 in thymidylate synthase controls conformation change, and thereby opening of the imidazolidine.
Biochemistry, 37, 1998
|
|
1BJG
 | | D221(169)N MUTANT DOES NOT PROMOTE OPENING OF THE COFACTOR IMIDAZOLIDINE RING | | Descriptor: | 5,10-METHYLENE-6-HYDROFOLIC ACID, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Sage, C.R, Michelitsch, M.D, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1998-06-25 | | Release date: | 1998-11-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | D221 in thymidylate synthase controls conformation change, and thereby opening of the imidazolidine.
Biochemistry, 37, 1998
|
|
1BO7
 | | THYMIDYLATE SYNTHASE R179T MUTANT | | Descriptor: | PROTEIN (THYMIDYLATE SYNTHASE), URIDINE-5'-MONOPHOSPHATE | | Authors: | Morse, R, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1998-08-10 | | 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
|
|
4GEV
 | | E. coli thymidylate synthase Y209W variant in complex with substrate and a cofactor analog | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, Thymidylate synthase | | Authors: | Newby, Z, Lee, T.T, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 2012-08-02 | | Release date: | 2012-08-29 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A remote mutation affects the hydride transfer by disrupting concerted protein motions in thymidylate synthase.
J.Am.Chem.Soc., 134, 2012
|
|
2TSC
 | | STRUCTURE, MULTIPLE SITE BINDING, AND SEGMENTAL ACCOMODATION IN THYMIDYLATE SYNTHASE ON BINDING D/UMP AND AN ANTI-FOLATE | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Montfort, W.R, Stroud, R.M. | | Deposit date: | 1991-07-03 | | Release date: | 1991-10-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure, multiple site binding, and segmental accommodation in thymidylate synthase on binding dUMP and an anti-folate.
Biochemistry, 29, 1990
|
|
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
|
|
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
|
|
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
|
|
