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7FQR
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BU of 7fqr by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000666a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, methyl (1S,3S,4R)-4-hydroxy-3-[(1S)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
Authors:Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A.
Deposit date:2022-10-19
Release date:2022-11-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B.
Elife, 12, 2023
7FRE
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BU of 7fre by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B after initial refinement with no ligand modeled
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A.
Deposit date:2022-10-20
Release date:2022-11-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B.
Elife, 12, 2023
7FRN
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BU of 7frn by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z915492990
Descriptor: 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A.
Deposit date:2022-10-24
Release date:2022-11-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B.
Elife, 12, 2023
8C3V
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BU of 8c3v by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.2-13 Fab and C1 nanobody
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, BA.2-13 heavy chain, BA.2-13 light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2022-12-28
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses.
Cell Rep, 42, 2023
7QNY
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BU of 7qny by Molmil
The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-12-23
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
5D0O
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BU of 5d0o by Molmil
BamABCDE complex, outer membrane beta barrel assembly machinery entire complex
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C.
Deposit date:2015-08-03
Release date:2016-03-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
5L75
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BU of 5l75 by Molmil
A protein structure
Descriptor: FIG000906: Predicted Permease, FIG000988: Predicted permease, Lipopolysaccharide ABC transporter, ...
Authors:Dong, C, Dong, H, Zhang, Z, Paterson, N, Tang, X.
Deposit date:2016-06-01
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural and functional insights into the lipopolysaccharide ABC transporter LptB2FG.
Nat Commun, 8, 2017
5D0Q
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BU of 5d0q by Molmil
BamACDE complex, outer membrane beta-barrel assembly machinery (BAM) complex
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, Outer membrane protein assembly factor BamD, ...
Authors:Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C.
Deposit date:2015-08-03
Release date:2016-03-09
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
7QNW
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BU of 7qnw by Molmil
The receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-55 heavy chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-12-23
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
7QNX
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BU of 7qnx by Molmil
The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with Beta-55 and EY6A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-55 heavy chain, Beta-55 light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-12-23
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
4C0Z
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BU of 4c0z by Molmil
The N-terminal domain of the Streptococcus pyogenes pilus tip adhesin Cpa
Descriptor: ANCILLARY PROTEIN 2, CHLORIDE ION, GLYCEROL, ...
Authors:Linke-Winnebeck, C, Paterson, N, Baker, E.N.
Deposit date:2013-08-08
Release date:2013-11-20
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Model for the Covalent Adhesion of the Streptococcus Pyogenes Pilus Through a Thioester Bond.
J.Biol.Chem., 289, 2014
5LRM
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BU of 5lrm by Molmil
Structure of di-zinc MCR-1 in P41212 space group
Descriptor: GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2016-08-19
Release date:2016-12-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
8QZR
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BU of 8qzr by Molmil
SARS-CoV-2 delta RBD complexed with BA.4/5-9 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-9 heavy chain, BA.4/5-9 light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
8CBE
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BU of 8cbe by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.4/5-2 and Beta-49 Fabs
Descriptor: BA.4/5-2 heavy chain, BA.4/5-2 light chain, Beta-49 heavy chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-01-25
Release date:2024-02-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
8CBF
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BU of 8cbf by Molmil
SARS-CoV-2 Delta-RBD complexed with Omi-42 and Beta-49 Fabs
Descriptor: Beta-49 heavy chain, Beta-49 light chain, CHLORIDE ION, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-01-25
Release date:2024-02-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
8CBD
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BU of 8cbd by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.4/5-1 and EY6A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-1 heavy chain, BA.4/5-1 light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-01-25
Release date:2024-02-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
8CMA
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BU of 8cma by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.4/5-35 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-35 heavy chain, BA.4/5-35 light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-02-18
Release date:2024-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
8CMM
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BU of 8cmm by Molmil
Re-pairing DNA - binding of a ruthenium phi complex to a double mismatch
Descriptor: DNA (5'-D(*CP*GP*CP*TP*AP*TP*AP*AP*TP*GP*CP*G)-3'), LITHIUM ION, POTASSIUM ION, ...
Authors:Prieto Otoya, T.D, Cardin, C.J, McQuaid, K.M.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Re-pairing DNA: binding of a ruthenium phi complex to a double mismatch
Chem Sci, 2024
4JDC
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BU of 4jdc by Molmil
Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis
Descriptor: 1-pyrroline-5-carboxylate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Lagautriere, T, Bashiri, G, Baker, E.N.
Deposit date:2013-02-24
Release date:2013-12-18
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Characterization of the proline-utilization pathway in Mycobacterium tuberculosis through structural and functional studies.
Acta Crystallogr.,Sect.D, 70, 2014
4IDS
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BU of 4ids by Molmil
Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis
Descriptor: Delta-1-pyrroline-5-carboxylate dehydrogenase
Authors:Lagautriere, T, Bashiri, G, Baker, E.N.
Deposit date:2012-12-13
Release date:2013-12-18
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Characterization of the proline-utilization pathway in Mycobacterium tuberculosis through structural and functional studies.
Acta Crystallogr.,Sect.D, 70, 2014
4IDM
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BU of 4idm by Molmil
Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis
Descriptor: Delta-1-pyrroline-5-carboxylate dehydrogenase
Authors:Lagautriere, T, Bashiri, G, Baker, E.N.
Deposit date:2012-12-12
Release date:2013-12-18
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Characterization of the proline-utilization pathway in Mycobacterium tuberculosis through structural and functional studies.
Acta Crystallogr.,Sect.D, 70, 2014
4IHI
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BU of 4ihi by Molmil
Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis bound with NAD
Descriptor: Delta-1-pyrroline-5-carboxylate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Lagautriere, T, Bashiri, G, Baker, E.N.
Deposit date:2012-12-18
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Characterization of the proline-utilization pathway in Mycobacterium tuberculosis through structural and functional studies.
Acta Crystallogr.,Sect.D, 70, 2014
6YM0
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BU of 6ym0 by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab (crystal form 1)
Descriptor: Spike glycoprotein, heavy chain, light chain
Authors:Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I.
Deposit date:2020-04-07
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.36 Å)
Cite:Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
6YOR
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BU of 6yor by Molmil
Structure of the SARS-CoV-2 spike S1 protein in complex with CR3022 Fab
Descriptor: IgG H chain, IgG L chain, Spike glycoprotein
Authors:Huo, J, Zhao, Y, Ren, J, Zhou, D, Duyvesteyn, H.M.E, Carrique, L, Malinauskas, T, Ruza, R.R, Shah, P.N.M, Fry, E.E, Owens, R, Stuart, D.I.
Deposit date:2020-04-15
Release date:2020-04-29
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
6YLA
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BU of 6yla by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I.
Deposit date:2020-04-06
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020

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