1XUI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xui by Molmil](/molmil-images/mine/1xui) | TRYPSIN-KETO-BABIM, ZN+2-FREE, PH 8.2 | 分子名称: | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE, CALCIUM ION, SODIUM ION, ... | 著者 | 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. | 登録日 | 1997-10-10 | 公開日 | 1998-11-11 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
|
|
1XUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xug by Molmil](/molmil-images/mine/1xug) | TRYPSIN-BABIM-ZN+2, PH 8.2 | 分子名称: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, TRYPSIN, ... | 著者 | 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. | 登録日 | 1997-10-10 | 公開日 | 1998-12-16 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
|
|
1JUJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1juj by Molmil](/molmil-images/mine/1juj) | Human Thymidylate Synthase Bound to dUMP and LY231514, a Pyrrolo(2,3-d)pyrimidine-based Antifolate | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE | 著者 | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | 登録日 | 2001-08-24 | 公開日 | 2001-09-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | 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
|
|
1JG0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jg0 by Molmil](/molmil-images/mine/1jg0) | Crystal structure of Escherichia coli thymidylate synthase complexed with 2'-deoxyuridine-5'-monophosphate and N,O-didansyl-L-tyrosine | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N,O-DIDANSYL-L-TYROSINE, thymidylate synthase | 著者 | Fritz, T.A, Tondi, D, Finer-Moore, J.S, Costi, M.P, Stroud, R.M. | 登録日 | 2001-06-22 | 公開日 | 2002-02-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Predicting and harnessing protein flexibility in the design of species-specific inhibitors of thymidylate synthase. Chem.Biol., 8, 2001
|
|
1JU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ju6 by Molmil](/molmil-images/mine/1ju6) | Human Thymidylate Synthase Complex with dUMP and LY231514, A Pyrrolo(2,3-d)pyrimidine-based Antifolate | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PHOSPHATE ION, ... | 著者 | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | 登録日 | 2001-08-23 | 公開日 | 2001-09-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | 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
|
|
1KZI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kzi by Molmil](/molmil-images/mine/1kzi) | Crystal Structure of EcTS/dUMP/THF Complex | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (6S)-5,6,7,8-TETRAHYDROFOLATE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | 著者 | Fritz, T.A, Liu, L, Finer-Moore, J.S, Stroud, R.M. | 登録日 | 2002-02-06 | 公開日 | 2002-07-03 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Tryptophan 80 and leucine 143 are critical for the hydride transfer step of thymidylate synthase by controlling active site access. Biochemistry, 41, 2002
|
|
1KZJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kzj by Molmil](/molmil-images/mine/1kzj) | Crystal Structure of EcTS W80G/dUMP/CB3717 Complex | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | 著者 | Fritz, T.A, Liu, L, Finer-Moore, J.S, Stroud, R.M. | 登録日 | 2002-02-06 | 公開日 | 2002-07-03 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Tryptophan 80 and leucine 143 are critical for the hydride transfer step of thymidylate synthase by controlling active site access. Biochemistry, 41, 2002
|
|
1JTQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jtq by Molmil](/molmil-images/mine/1jtq) | E. coli TS Complex with dUMP and the Pyrrolo(2,3-d)pyrimidine-based Antifolate LY341770 | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-(2H-TETRAZOL-5-YL)-BUTYRIC ACID, THYMIDYLATE SYNTHASE | 著者 | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | 登録日 | 2001-08-21 | 公開日 | 2001-09-19 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | 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
|
|
1JUT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jut by Molmil](/molmil-images/mine/1jut) | E. coli Thymidylate Synthase Bound to dUMP and LY338529, A Pyrrolo(2,3-d)pyrimidine-based Antifolate | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID, THYMIDYLATE SYNTHASE | 著者 | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | 登録日 | 2001-08-27 | 公開日 | 2001-09-19 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | 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
|
|
1BQ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bq1 by Molmil](/molmil-images/mine/1bq1) | E. COLI THYMIDYLATE SYNTHASE MUTANT N177A IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | 著者 | Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M. | 登録日 | 1998-08-20 | 公開日 | 1999-05-18 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer. J.Mol.Biol., 284, 1998
|
|
1BQ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bq2 by Molmil](/molmil-images/mine/1bq2) | E. COLI THYMIDYLATE SYNTHASE MUTANT N177A | 分子名称: | PHOSPHATE ION, THYMIDYLATE SYNTHASE | 著者 | Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M. | 登録日 | 1998-08-20 | 公開日 | 1999-04-27 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer. J.Mol.Biol., 284, 1998
|
|
1TSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tsx by Molmil](/molmil-images/mine/1tsx) | THYMIDYLATE SYNTHASE R179E MUTANT | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | 著者 | Finer-Moore, J, Stroud, R.M. | 登録日 | 1995-12-05 | 公開日 | 1996-03-08 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | 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
|
|
1TSZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tsz by Molmil](/molmil-images/mine/1tsz) | THYMIDYLATE SYNTHASE R179K MUTANT | 分子名称: | PHOSPHATE ION, THYMIDYLATE SYNTHASE | 著者 | Finer-Moore, J, Stroud, R.M. | 登録日 | 1995-12-05 | 公開日 | 1996-03-08 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | 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
|
|
1TSW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tsw by Molmil](/molmil-images/mine/1tsw) | THYMIDYLATE SYNTHASE R179A MUTANT | 分子名称: | PHOSPHATE ION, THYMIDYLATE SYNTHASE | 著者 | Finer-Moore, J, Stroud, R.M. | 登録日 | 1995-12-05 | 公開日 | 1996-03-08 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | 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
|
|
1TSY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tsy by Molmil](/molmil-images/mine/1tsy) | THYMIDYLATE SYNTHASE R179K MUTANT | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | 著者 | Finer-Moore, J, Stroud, R.M. | 登録日 | 1995-12-05 | 公開日 | 1996-03-08 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | 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
|
|
1TSV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tsv by Molmil](/molmil-images/mine/1tsv) | THYMIDYLATE SYNTHASE R179A MUTANT | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | 著者 | Finer-Moore, J, Stroud, R.M. | 登録日 | 1995-12-05 | 公開日 | 1996-03-08 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tvu by Molmil](/molmil-images/mine/1tvu) | |
1TVV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tvv by Molmil](/molmil-images/mine/1tvv) | |
1TVW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tvw by Molmil](/molmil-images/mine/1tvw) | |
1TIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tis by Molmil](/molmil-images/mine/1tis) | |
1NJE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nje by Molmil](/molmil-images/mine/1nje) | |
1NJB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1njb by Molmil](/molmil-images/mine/1njb) | THYMIDYLATE SYNTHASE | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | 著者 | Finer-Moore, J, Stroud, R.M. | 登録日 | 1996-01-23 | 公開日 | 1996-10-14 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase. Biochemistry, 35, 1996
|
|
1NJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nja by Molmil](/molmil-images/mine/1nja) | THYMIDYLATE SYNTHASE, MUTATION, N229C WITH 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (DCMP) | 分子名称: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | 著者 | Finer-Moore, J, Stroud, R.M. | 登録日 | 1996-01-23 | 公開日 | 1996-07-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase. Biochemistry, 35, 1996
|
|
1NJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1njd by Molmil](/molmil-images/mine/1njd) | THYMIDYLATE SYNTHASE, MUTATION, N229D WITH 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | 著者 | Finer-Moore, J, Stroud, R.M. | 登録日 | 1996-01-23 | 公開日 | 1996-07-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase. Biochemistry, 35, 1996
|
|
1NJC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1njc by Molmil](/molmil-images/mine/1njc) | THYMIDYLATE SYNTHASE, MUTATION, N229D WITH 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (DCMP) | 分子名称: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | 著者 | Finer-Moore, J, Stroud, R.M. | 登録日 | 1996-01-23 | 公開日 | 1996-07-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase. Biochemistry, 35, 1996
|
|