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PDB: 686 results

4YUM
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BU of 4yum by Molmil
Multiconformer synchrotron model of CypA at 300 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
Deposit date:2015-03-18
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
4YUI
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BU of 4yui by Molmil
Multiconformer synchrotron model of CypA at 180 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
Deposit date:2015-03-18
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
4YUP
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BU of 4yup by Molmil
Multiconformer fixed-target X-ray free electron (XFEL) model of CypA at 273 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
Deposit date:2015-03-18
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
4YUK
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BU of 4yuk by Molmil
Multiconformer synchrotron model of CypA at 260 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
Deposit date:2015-03-18
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
4YUG
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BU of 4yug by Molmil
Multiconformer synchrotron model of CypA at 100 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
Deposit date:2015-03-18
Release date:2015-10-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
4YUL
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BU of 4yul by Molmil
Multiconformer synchrotron model of CypA at 280 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
Deposit date:2015-03-18
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
6B90
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BU of 6b90 by Molmil
Multiconformer model of apo WT PTP1B with glycerol at 100 K (ALTERNATIVE REFINEMENT OF PDB 1SUG showing conformational heterogeneity)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors: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.
Deposit date:2017-10-09
Release date:2018-06-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
8FOR
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BU of 8for by Molmil
Crystal Structure of Kemp Eliminase KE70-core with bound transition state analogue
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp Eliminase KE70-core
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2023-01-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Kemp Eliminase KE70-core with bound transition state analogue
To Be Published
8FMC
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BU of 8fmc by Molmil
Crystal Structure of Kemp Eliminase 1A53-core in unbound state
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Kemp Eliminase 1A53-core, PHOSPHATE ION
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2022-12-23
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal Structure of Kemp Eliminase 1A53-core in unbound state
To Be Published
8FMD
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BU of 8fmd by Molmil
Crystal Structure of Kemp Eliminase KE70-core in unbound state
Descriptor: Kemp Eliminase KE70-core
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2022-12-23
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Kemp Eliminase KE70-core in unbound state
To Be Published
8FOQ
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BU of 8foq by Molmil
Crystal Structure of Kemp Eliminase 1A53-core with bound transition state analogue
Descriptor: 5-nitro-1H-benzotriazole, Kemp Eliminase 1A53-core, PHOSPHATE ION
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2023-01-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Kemp Eliminase 1A53-core with bound transition state analogue
To Be Published
8FME
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BU of 8fme by Molmil
Crystal Structure of Kemp Eliminase HG3-shell in unbound state
Descriptor: Kemp Eliminase HG3-shell
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2022-12-23
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal Structure of Kemp Eliminase 1A53-core in unbound state
To Be Published
8FOS
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BU of 8fos by Molmil
Crystal Structure of Kemp Eliminase HG3-shell with bound transition state analogue
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3-shell, TETRAETHYLENE GLYCOL
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2023-01-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of Kemp Eliminase HG3-shell with bound transition state analogue
To Be Published
6B8Z
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BU of 6b8z by Molmil
Multiconformer model of WT PTP1B with BB3 at 273 K
Descriptor: 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Tyrosine-protein phosphatase non-receptor type 1
Authors: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.
Deposit date:2017-10-09
Release date:2018-06-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
6B8X
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BU of 6b8x by Molmil
Multiconformer model of apo WT PTP1B with glycerol at 278 K
Descriptor: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors: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.
Deposit date:2017-10-09
Release date:2018-06-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
6B8T
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BU of 6b8t by Molmil
Multiconformer model of apo WT PTP1B with glycerol at 240 K
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors: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.
Deposit date:2017-10-09
Release date:2018-06-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
6BAI
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BU of 6bai by Molmil
Multiconformer model of apo K197C PTP1B at 100 K
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors: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.
Deposit date:2017-10-12
Release date:2018-06-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
6B8E
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BU of 6b8e by Molmil
Multiconformer model of apo WT PTP1B with glycerol at 180 K
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors: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.
Deposit date:2017-10-06
Release date:2018-06-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
6B95
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BU of 6b95 by Molmil
Multiconformer model of K197C PTP1B tethered to compound 2 at 100 K
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide, Tyrosine-protein phosphatase non-receptor type 1
Authors: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.
Deposit date:2017-10-10
Release date:2018-06-20
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5F6M
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BU of 5f6m by Molmil
Isotropic Trypsin Model for Comparison of Diffuse Scattering
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Van Benschoten, A.H, Wall, M.E, Fraser, J.S.
Deposit date:2015-12-06
Release date:2016-01-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Measuring and modeling diffuse scattering in protein X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 113, 2016
7FR2
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BU of 7fr2 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5551425673 - (S) isomer
Descriptor: 3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR6
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BU of 7fr6 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890147894
Descriptor: (azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR5
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BU of 7fr5 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890189003
Descriptor: 2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR0
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BU of 7fr0 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890182452
Descriptor: 2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRA
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BU of 7fra by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1343520564
Descriptor: 6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published

222624

건을2024-07-17부터공개중

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