7RIN
 
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5SST
 | | DHFR:NADP+:FOL complex at 270 K (crystal 2) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | 登録日 | 2022-07-03 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | DHFR:NADP+:FOL complex at 270 K
To Be Published
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5SSU
 | | DHFR:NADP+:FOL complex at 270 K (crystal 3) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | 登録日 | 2022-07-03 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | DHFR:NADP+:FOL complex at 270 K
To Be Published
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5SSV
 | | DHFR:NADP+:FOL complex at 270 K (crystal 4) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | 登録日 | 2022-07-03 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | DHFR:NADP+:FOL complex at 270 K
To Be Published
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5SSS
 | | DHFR:NADP+:FOL complex at 270 K (crystal 1) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | 登録日 | 2022-07-03 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | DHFR:NADP+:FOL complex at 270 K
To Be Published
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5SSW
 | | DHFR:NADP+:FOL complex at 270 K (multi-crystal) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | 登録日 | 2022-07-03 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | | 主引用文献 | DHFR:NADP+:FOL complex at 270 K
To Be Published
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8DAI
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7LVC
 | | E. coli DHFR by Native Mn,P,S-SAD at Room Temperature | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Hekstra, D.R. | | 登録日 | 2021-02-24 | | 公開日 | 2021-03-17 | | 最終更新日 | 2022-08-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
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7MM1
 | | PTP1B in complex with TCS401 by Native S-SAD at Room Temperature | | 分子名称: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Greisman, J.B, Dalton, K.M, Hekstra, D.R. | | 登録日 | 2021-04-29 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
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8G4Z
 | | E. coli DHFR complex with NADP+ and folate: EF-X off model by Laue diffraction (no electric field) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R. | | 登録日 | 2023-02-10 | | 公開日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | E. coli DHFR complex with NADP+ and folate: EF-X off model by Laue diffraction (no electric field)
To Be Published
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8G50
 | | E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R. | | 登録日 | 2023-02-10 | | 公開日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences)
To Be Published
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8G68
 | | Wildtype PTP1b in complex with DES5742 | | 分子名称: | 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | 登録日 | 2023-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G6A
 | | Wildtype PTP1b in complex with DES6016 | | 分子名称: | DIMETHYL SULFOXIDE, MAGNESIUM ION, TRIETHYLENE GLYCOL, ... | | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | 登録日 | 2023-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G69
 | | Wildtype PTP1b in complex with DES5743 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline, MAGNESIUM ION, ... | | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | 登録日 | 2023-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G67
 | | Wildtype PTP1b in complex with DES4884 | | 分子名称: | 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | 登録日 | 2023-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G65
 | | Wildtype PTP1b in complex with DES4799 | | 分子名称: | 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | 登録日 | 2023-02-14 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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7FPQ
 | | DHFR:NADP+:FOL complex at 280 K (multi-crystal) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | 登録日 | 2022-09-09 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | DHFR:NADP+:FOL complex at 280 K
To Be Published
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7FPN
 | | DHFR:NADP+:FOL complex at 280 K (crystal 3) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | 登録日 | 2022-09-09 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | DHFR:NADP+:FOL complex at 280 K
To Be Published
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7FPS
 | | DHFR:NADP+:FOL complex at 290 K (crystal 2) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | 登録日 | 2022-09-10 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | DHFR:NADP+:FOL complex at 290 K
To Be Published
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7FPL
 | | DHFR:NADP+:FOL complex at 280 K (crystal 1) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | 登録日 | 2022-09-09 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | DHFR:NADP+:FOL complex at 280 K
To Be Published
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7FPT
 | | DHFR:NADP+:FOL complex at 290 K (crystal 3) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | 登録日 | 2022-09-10 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | DHFR:NADP+:FOL complex at 290 K
To Be Published
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7FPR
 | | DHFR:NADP+:FOL complex at 290 K (crystal 1) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | 登録日 | 2022-09-10 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | DHFR:NADP+:FOL complex at 290 K
To Be Published
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7FPP
 | | DHFR:NADP+:FOL complex at 280 K (crystal 5) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | 登録日 | 2022-09-09 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | DHFR:NADP+:FOL complex at 280 K
To Be Published
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7FPM
 | | DHFR:NADP+:FOL complex at 280 K (crystal 2) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | 登録日 | 2022-09-09 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | DHFR:NADP+:FOL complex at 280 K
To Be Published
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7FPV
 | | DHFR:NADP+:FOL complex at 290 K (crystal 5) | | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | 登録日 | 2022-09-10 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | DHFR:NADP+:FOL complex at 290 K
To Be Published
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