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4XV8
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BU of 4xv8 by Molmil
CcP gateless cavity
Descriptor: BENZAMIDINE, Cytochrome c peroxidase, mitochondrial, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2015-01-26
Release date:2015-02-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites.
Chembiochem, 16, 2015
4XV6
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BU of 4xv6 by Molmil
CcP gateless cavity
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, mitochondrial, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2015-01-26
Release date:2015-02-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites.
Chembiochem, 16, 2015
4XVA
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BU of 4xva by Molmil
Crystal structure of wild type cytochrome c peroxidase
Descriptor: BENZIMIDAZOLE, Cytochrome c peroxidase, mitochondrial, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2015-01-26
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites.
Chembiochem, 16, 2015
4XV4
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BU of 4xv4 by Molmil
CcP gateless cavity
Descriptor: 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, mitochondrial, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2015-01-26
Release date:2015-02-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites.
Chembiochem, 16, 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
4KJL
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BU of 4kjl by Molmil
Room Temperature N23PPS148A DHFR
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S.
Deposit date:2013-05-03
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Automated identification of functional dynamic contact networks from X-ray crystallography.
Nat.Methods, 10, 2013
4KJJ
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BU of 4kjj by Molmil
Cryogenic WT DHFR
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S.
Deposit date:2013-05-03
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Automated identification of functional dynamic contact networks from X-ray crystallography.
Nat.Methods, 10, 2013
4KJK
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BU of 4kjk by Molmil
Room Temperature WT DHFR
Descriptor: CALCIUM ION, Dihydrofolate reductase, FOLIC ACID, ...
Authors:van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S.
Deposit date:2013-05-03
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:Automated identification of functional dynamic contact networks from X-ray crystallography.
Nat.Methods, 10, 2013
7KC5
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BU of 7kc5 by Molmil
X-ray structure of Lfa-1 I domain in complex with BMS-68852 collected at 273 K
Descriptor: 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, MAGNESIUM ION
Authors:Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S.
Deposit date:2020-10-05
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
7KC3
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BU of 7kc3 by Molmil
X-ray structure of Lfa-1 I domain collected at 273 K
Descriptor: Integrin alpha-L, MAGNESIUM ION
Authors:Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S.
Deposit date:2020-10-05
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
7KC6
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BU of 7kc6 by Molmil
X-ray structure of Lfa-1 I domain in complex with Lovastatin collected at 273 K
Descriptor: Integrin alpha-L, LOVASTATIN, MAGNESIUM ION
Authors:Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S.
Deposit date:2020-10-05
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
7S1G
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BU of 7s1g by Molmil
wild-type Escherichia coli stalled ribosome with antibiotic linezolid
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
Deposit date:2021-09-02
Release date:2021-11-17
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
7S1H
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BU of 7s1h by Molmil
Wild-type Escherichia coli ribosome with antibiotic linezolid
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
Deposit date:2021-09-02
Release date:2021-11-17
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
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
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
7FR8
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BU of 7fr8 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890408258 - (R) isomer
Descriptor: (2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-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
7FR1
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BU of 7fr1 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1423250928
Descriptor: 1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide, 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
7FRB
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BU of 7frb by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5551426009 - (S) isomer
Descriptor: 1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-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
7FR4
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BU of 7fr4 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A26A - (S) isomer
Descriptor: 2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide, DIMETHYL SULFOXIDE, 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
7FR3
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BU of 7fr3 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A01A - (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 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRC
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BU of 7frc by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A05 - (R) isomer
Descriptor: 3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}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 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published

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