7RIN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rin by Molmil](/molmil-images/mine/7rin) | |
5SST
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sst by Molmil](/molmil-images/mine/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 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
5SSS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sss by Molmil](/molmil-images/mine/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 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
5SSU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ssu by Molmil](/molmil-images/mine/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 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
5SSW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ssw by Molmil](/molmil-images/mine/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 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
5SSV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ssv by Molmil](/molmil-images/mine/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 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8G69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g69 by Molmil](/molmil-images/mine/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
|
|
8G67
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g67 by Molmil](/molmil-images/mine/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
|
|
8G6A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g6a by Molmil](/molmil-images/mine/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
|
|
8G68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g68 by Molmil](/molmil-images/mine/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
|
|
8G65
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g65 by Molmil](/molmil-images/mine/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
|
|
8G4Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g4z by Molmil](/molmil-images/mine/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 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8G50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g50 by Molmil](/molmil-images/mine/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 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8DAI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dai by Molmil](/molmil-images/mine/8dai) | E. coli DHFR complex with NADP+ and 10-methylfolate | 分子名称: | Dihydrofolate reductase, MANGANESE (II) ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Greisman, J.B, Brookner, D.E, Hekstra, D.R. | 登録日 | 2022-06-13 | 公開日 | 2023-06-21 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
7LVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lvc by Molmil](/molmil-images/mine/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
|
|
7L84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l84 by Molmil](/molmil-images/mine/7l84) | |
7MM1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mm1 by Molmil](/molmil-images/mine/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
|
|
7FQ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fq2 by Molmil](/molmil-images/mine/7fq2) | DHFR:NADP+:FOL complex at 300 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 | 2022-09-10 | 公開日 | 2023-09-20 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
7FPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fpm by Molmil](/molmil-images/mine/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 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
7FQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fq5 by Molmil](/molmil-images/mine/7fq5) | DHFR:NADP+:FOL complex at 310 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 | 2022-09-12 | 公開日 | 2023-09-20 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
7FPO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fpo by Molmil](/molmil-images/mine/7fpo) | DHFR:NADP+:FOL complex at 280 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 | 2022-09-09 | 公開日 | 2023-09-20 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
7FQF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fqf by Molmil](/molmil-images/mine/7fqf) | DHFR:NADP+:FOL complex (crystal 2, pass 4, 310 K) | 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 | 2022-09-12 | 公開日 | 2023-09-20 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
7FPS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fps by Molmil](/molmil-images/mine/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 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
7FQ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fq8 by Molmil](/molmil-images/mine/7fq8) | DHFR:NADP+:FOL complex (crystal 1, pass 2, 310 K) | 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 | 2022-09-12 | 公開日 | 2023-09-20 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
7FPN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fpn by Molmil](/molmil-images/mine/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 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|