5QG0
 
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_XST00000280c | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, [2-(morpholin-4-yl)phenyl]methanol | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2018-08-30 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.753 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
|
|
5QDG
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000294a | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2018-08-30 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
|
|
5QDO
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOCR000171b | | 分子名称: | 2-(thiophen-2-yl)-1H-imidazole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2018-08-30 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.792 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
|
|
5QE5
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000632a | | 分子名称: | 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2018-08-30 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.773 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
|
|
5QEO
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA000657b | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(piperidin-1-yl)benzoic acid, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2018-08-30 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.721 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
|
|
5QFB
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_PKOOA000283c | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2018-08-30 | | 公開日 | 2018-10-10 | | 最終更新日 | 2019-02-06 | | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
|
|
5QFQ
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000491a | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2018-08-30 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.621 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
|
|
5QG5
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA000811b | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-hydroxybenzonitrile, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | 登録日 | 2018-08-30 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
|
|
8DU7
 | | Room-temperature serial synchrotron crystallography (SSX) structure of apo PTP1B | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Ebrahim, A, Sharma, S, Keedy, D.A. | | 登録日 | 2022-07-27 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Room-temperature serial synchrotron crystallography of the human phosphatase PTP1B.
Acta Crystallogr.,Sect.F, 79, 2023
|
|
8U1E
 | |
7MHP
 | | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K at high humidity | | 分子名称: | 3C-like proteinase, ZINC ION | | 著者 | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | | 登録日 | 2021-04-15 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.0005 Å) | | 主引用文献 | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
|
|
6DML
 | | A multiconformer ligand model of 3,5 dimethylisoxaxole bound to the bromodomain of human BRD4 | | 分子名称: | 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, Bromodomain-containing protein 4 | | 著者 | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | 登録日 | 2018-06-05 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
|
|
6DMG
 | | A multiconformer ligand model of EK6 bound to ERK2 | | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | | 著者 | Hudson, B.M, van Zundert, G.C.P, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | 登録日 | 2018-06-05 | | 公開日 | 2018-12-19 | | 最終更新日 | 2019-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
|
|
6DMJ
 | | A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain | | 分子名称: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4 | | 著者 | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | 登録日 | 2018-06-05 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
|
|
7MHF
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 100 K | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | | 著者 | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | | 登録日 | 2021-04-15 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
|
|
7MHG
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 240 K | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | | 著者 | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | | 登録日 | 2021-04-15 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.5302 Å) | | 主引用文献 | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
|
|
7MHL
 | | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 100 K | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | | 著者 | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | | 登録日 | 2021-04-15 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
|
|
7MHM
 | | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 240 K | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | | 著者 | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | | 登録日 | 2021-04-15 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.5302 Å) | | 主引用文献 | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
|
|
8SLU
 | | Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and high pressure (205 MPa) | | 分子名称: | GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | 著者 | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | | 登録日 | 2023-04-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
|
|
8SLT
 | | Crystal structure of human STEP (PTPN5) at physiological temperature (310 K) and ambient pressure (0.1 MPa) | | 分子名称: | SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | 著者 | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | | 登録日 | 2023-04-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
|
|
8SLS
 | | Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and ambient pressure (0.1 MPa) | | 分子名称: | GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | 著者 | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | | 登録日 | 2023-04-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
|
|
5KV7
 | | Human cyclophilin A at 278K, Data set 9 | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | 登録日 | 2016-07-13 | | 公開日 | 2016-08-31 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
|
|
5KW7
 | | T. danielli thaumatin at 278K, Data set 4 | | 分子名称: | L(+)-TARTARIC ACID, Thaumatin-1 | | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S. | | 登録日 | 2016-07-15 | | 公開日 | 2016-08-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
|
|
5KXK
 | | Hen Egg White Lysozyme at 100K, Data set 1 | | 分子名称: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | 登録日 | 2016-07-20 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.198 Å) | | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
|
|
5KXP
 | | Hen Egg White Lysozyme at 278K, Data set 2 | | 分子名称: | Lysozyme C, SODIUM ION | | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | 登録日 | 2016-07-20 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
|
|
