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PDB: 721 results

1TY2
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BU of 1ty2 by Molmil
Crystal structure of the streptococcal pyrogenic exotoxin J (SPE-J)
Descriptor: ZINC ION, putative exotoxin (superantigen)
Authors:Baker, H.M, Proft, T, Webb, P.D, Arcus, V.L, Fraser, J.D, Baker, E.N.
Deposit date:2004-07-07
Release date:2004-08-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic and mutational data show that the streptococcal pyrogenic exotoxin j can use a common binding surface for T-cell receptor binding and dimerization
J.Biol.Chem., 279, 2004
1TY0
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BU of 1ty0 by Molmil
Crystal structure of the streptococcal pyrogenic exotoxin J (SPE-J)
Descriptor: putative exotoxin (superantigen)
Authors:Baker, H.M, Proft, T, Webb, P.D, Arcus, V.L, Fraser, J.D, Baker, E.N.
Deposit date:2004-07-06
Release date:2004-08-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystallographic and mutational data show that the streptococcal pyrogenic exotoxin j can use a common binding surface for T-cell receptor binding and dimerization
J.Biol.Chem., 279, 2004
8SOV
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BU of 8sov by Molmil
Proteinase K Multiconformer Model at 353K
Descriptor: ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ...
Authors:Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S.
Deposit date:2023-04-30
Release date:2023-08-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.291 Å)
Cite:Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
8SPL
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BU of 8spl by Molmil
Proteinase K Multiconformer Model at 343K
Descriptor: ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ...
Authors:Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S.
Deposit date:2023-05-03
Release date:2023-08-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
8SOG
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BU of 8sog by Molmil
Proteinase K Multiconformer Model at 313K
Descriptor: CALCIUM ION, Proteinase K, SULFATE ION
Authors:Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S.
Deposit date:2023-04-28
Release date:2023-08-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
8SOU
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BU of 8sou by Molmil
Proteinase K Multiconformer Model at 363K
Descriptor: ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ...
Authors:Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S.
Deposit date:2023-04-30
Release date:2023-08-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
8SQV
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BU of 8sqv by Molmil
Proteinase K Multiconformer Model at 333K
Descriptor: CALCIUM ION, Proteinase K, SULFATE ION
Authors:Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S.
Deposit date:2023-05-04
Release date:2023-08-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
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
Last modified:2024-11-20
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
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of Kemp Eliminase HG3-shell with bound transition state analogue
To Be Published
7MFT
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BU of 7mft by Molmil
Glutamate synthase, glutamate dehydrogenase counter-enzyme complex (GudB6-GltA6-GltB6)
Descriptor: FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Jayaraman, V, Lee, D.J, Elad, N, Fraser, J.S, Tawfik, D.S.
Deposit date:2021-04-11
Release date:2022-01-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A counter-enzyme complex regulates glutamate metabolism in Bacillus subtilis.
Nat.Chem.Biol., 18, 2022
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
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
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
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
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
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:2024-10-30
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
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
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
7FR7
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BU of 7fr7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z431872694
Descriptor: 6-(azepane-1-carbonyl)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
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

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