6CDZ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6cdz by Molmil](/molmil-images/mine/6cdz) | E. coli thymidylate synthase mutant I264Am | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2'-deoxy-5'-uridylic acid, ... | Authors: | Finer-moore, J.S, Lee, T.T, Stroud, R.M. | Deposit date: | 2018-02-09 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Single Mutation Traps a Half-Sites Reactive Enzyme in Midstream, Explaining Asymmetry in Hydride Transfer. Biochemistry, 57, 2018
|
|
2AAZ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2aaz by Molmil](/molmil-images/mine/2aaz) | Cryptococcus neoformans thymidylate synthase complexed with substrate and an antifolate | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M. | Deposit date: | 2005-07-14 | Release date: | 2005-12-06 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition. Acta Crystallogr.,Sect.D, 61, 2005
|
|
2A9W
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2a9w by Molmil](/molmil-images/mine/2a9w) | E. coli TS complexed with dUMP and inhibitor GA9 | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-BROMOPHENOL, 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-1-ONE, ... | Authors: | Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M. | Deposit date: | 2005-07-12 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition. Acta Crystallogr.,Sect.D, 61, 2005
|
|
2G8A
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2g8a by Molmil](/molmil-images/mine/2g8a) | Lactobacillus casei Y261M in complex with substrate, dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase | Authors: | Finer-Moore, J.S, Stroud, R.M. | Deposit date: | 2006-03-02 | Release date: | 2006-03-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261 Biochemistry, 45, 2006
|
|
2G86
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2g86 by Molmil](/molmil-images/mine/2g86) | |
2G8D
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2g8d by Molmil](/molmil-images/mine/2g8d) | |
2G89
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2g89 by Molmil](/molmil-images/mine/2g89) | |
2G8X
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2g8x by Molmil](/molmil-images/mine/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
|
|
2BE1
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2be1 by Molmil](/molmil-images/mine/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
|
|
6C9W
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6c9w by Molmil](/molmil-images/mine/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
|
|
3DH3
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3dh3 by Molmil](/molmil-images/mine/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
|
|
4GGM
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4ggm by Molmil](/molmil-images/mine/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: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.897 Å) | Cite: | LpxI structures reveal how a lipid A precursor is synthesized. Nat.Struct.Mol.Biol., 19, 2012
|
|
2IST
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2ist by Molmil](/molmil-images/mine/2ist) | |
4ZYR
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4zyr by Molmil](/molmil-images/mine/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
|
|
1JTU
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1jtu by Molmil](/molmil-images/mine/1jtu) | E. coli Thymidylate Synthase in a Complex with dUMP and LY338913, A Polyglutamylated Pyrrolo(2,3-d)pyrimidine-based Antifolate | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | Deposit date: | 2001-08-22 | Release date: | 2001-09-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases. J.Mol.Biol., 313, 2001
|
|
3NE2
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3ne2 by Molmil](/molmil-images/mine/3ne2) | |
1BP6
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1bp6 by Molmil](/molmil-images/mine/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
|
|
1BPJ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1bpj by Molmil](/molmil-images/mine/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
|
|
1XUH
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1xuh by Molmil](/molmil-images/mine/1xuh) | TRYPSIN-KETO-BABIM-CO+2, PH 8.2 | Descriptor: | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE, CALCIUM ION, COBALT (II) ION, ... | Authors: | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | Deposit date: | 1997-10-10 | Release date: | 1998-11-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
|
|
1XUK
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1xuk by Molmil](/molmil-images/mine/1xuk) | TRYPSIN-BABIM-SULFATE, PH 5.9 | Descriptor: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, SULFATE ION, ... | Authors: | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | Deposit date: | 1997-10-10 | Release date: | 1998-11-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
|
|
1XUI
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1xui by Molmil](/molmil-images/mine/1xui) | TRYPSIN-KETO-BABIM, ZN+2-FREE, PH 8.2 | Descriptor: | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE, CALCIUM ION, SODIUM ION, ... | Authors: | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | Deposit date: | 1997-10-10 | Release date: | 1998-11-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
|
|
1XUF
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1xuf by Molmil](/molmil-images/mine/1xuf) | TRYPSIN-BABIM-ZN+2, PH 8.2 | Descriptor: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC, CALCIUM ION, TRYPSIN | Authors: | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | Deposit date: | 1997-10-10 | Release date: | 1998-12-16 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
|
|
1XUG
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1xug by Molmil](/molmil-images/mine/1xug) | TRYPSIN-BABIM-ZN+2, PH 8.2 | Descriptor: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, TRYPSIN, ... | Authors: | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | Deposit date: | 1997-10-10 | Release date: | 1998-12-16 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
|
|
1XUJ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1xuj by Molmil](/molmil-images/mine/1xuj) | TRYPSIN-KETO-BABIM-ZN+2, PH 8.2 | Descriptor: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC, CALCIUM ION, SULFATE ION, ... | Authors: | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | Deposit date: | 1997-10-10 | Release date: | 1998-11-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
|
|
4J6E
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4j6e by Molmil](/molmil-images/mine/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
|
|