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3EY4
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BU of 3ey4 by Molmil
Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
Descriptor: (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one, 11-beta-Hydroxysteroid Dehydrogenase 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J.D, Jordan, S.R, Li, V.
Deposit date:2008-10-17
Release date:2008-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
To be Published, 2008
5TOJ
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BU of 5toj by Molmil
Crystal structure of the RSV F glycoprotein in complex with the neutralizing single-domain antibody F-VHH-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, Fibritin chimera, ...
Authors:Gilman, M.S.A, Kabeche, S.C, McLellan, J.S.
Deposit date:2016-10-17
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Potent single-domain antibodies that arrest respiratory syncytial virus fusion protein in its prefusion state.
Nat Commun, 8, 2017
5TP3
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BU of 5tp3 by Molmil
Crystal structure of the RSV-neutralizing single-domain antibody F-VHH-4
Descriptor: F-VHH-4
Authors:Wrapp, D, Gilman, M.S.A, McLellan, J.S.
Deposit date:2016-10-19
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.874 Å)
Cite:Potent single-domain antibodies that arrest respiratory syncytial virus fusion protein in its prefusion state.
Nat Commun, 8, 2017
5TOK
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BU of 5tok by Molmil
Crystal structure of the RSV F glycoprotein in complex with the neutralizing single-domain antibody F-VHH-L66
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, Fibritin chimera, ...
Authors:Gilman, M.S.A, Kabeche, S.C, McLellan, J.S.
Deposit date:2016-10-17
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Potent single-domain antibodies that arrest respiratory syncytial virus fusion protein in its prefusion state.
Nat Commun, 8, 2017
5V8O
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BU of 5v8o by Molmil
Discovery of a high affinity inhibitor of cGAS
Descriptor: 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION
Authors:Hall, J.
Deposit date:2017-03-22
Release date:2017-09-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
2XE3
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BU of 2xe3 by Molmil
OmpC28
Descriptor: OUTER MEMBRANE PORIN C, octyl beta-D-glucopyranoside
Authors:Lou, H, Naismith, J.H.
Deposit date:2010-05-10
Release date:2010-05-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Altered Antibiotic Transport in Ompc Mutants Isolated from a Series of Clinical Strains of Multi-Drug Resistant E. Coli.
Plos One, 6, 2011
2XE5
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BU of 2xe5 by Molmil
Molecular insights into clinically isolated OmpC mutants and their role in multi-drug resistance (OmpC26)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-(DIMETHYLAMINO)ETHANESULFONIC ACID, DECANE, ...
Authors:Bamford, V.A, Naismith, J.H.
Deposit date:2010-05-11
Release date:2010-05-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Altered Antibiotic Transport in Ompc Mutants Isolated from a Series of Clinical Strains of Multi-Drug Resistant E. Coli.
Plos One, 6, 2011
2XG6
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BU of 2xg6 by Molmil
Molecular insights into clinically isolated OmpC mutants and their role in multi-drug resistance
Descriptor: OMPC, SULFATE ION
Authors:Lou, H, Naismith, J.H.
Deposit date:2010-05-31
Release date:2010-07-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:Altered Antibiotic Transport in Ompc Mutants Isolated from a Series of Clinical Strains of Multi-Drug Resistant E. Coli.
Plos One, 6, 2011
2XE2
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BU of 2xe2 by Molmil
Molecular insights into clinically isolated OmpC20 mutants and their role in multi-drug resistance
Descriptor: N-OCTYL-2-HYDROXYETHYL SULFOXIDE, OUTER MEMBRANE PORIN C
Authors:Bamford, V.A, Naismith, J.H.
Deposit date:2010-05-10
Release date:2010-05-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Altered Antibiotic Transport in Ompc Mutants Isolated from a Series of Clinical Strains of Multi-Drug Resistant E. Coli.
Plos One, 6, 2011
2XE1
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BU of 2xe1 by Molmil
Molecular insights into clinically isolated OmpC mutants and their role in multi-drug resistance
Descriptor: DECANE, HEXANE, OUTER MEMBRANE PROTEIN C
Authors:Bamford, V.A, Naismith, J.H.
Deposit date:2010-05-10
Release date:2010-05-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Altered Antibiotic Transport in Ompc Mutants Isolated from a Series of Clinical Strains of Multi-Drug Resistant E. Coli.
Plos One, 6, 2011
3BZU
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BU of 3bzu by Molmil
Crystal structure of human 11-beta-hydroxysteroid dehydrogenase(HSD1) in complex with NADP and thiazolone inhibitor
Descriptor: (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Min, X, Sudom, A, Xu, H, Wang, Z, Walker, N.P.
Deposit date:2008-01-18
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural characterization and pharmacodynamic effects of an orally active 11beta-hydroxysteroid dehydrogenase type 1 inhibitor.
Chem.Biol.Drug Des., 71, 2008
7AMN
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BU of 7amn by Molmil
Structure of LuxR with DNA (repression)
Descriptor: DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR
Authors:Liu, B, Reverter, D.
Deposit date:2020-10-09
Release date:2021-03-31
Last modified:2021-04-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
7AMT
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BU of 7amt by Molmil
Structure of LuxR with DNA (activation)
Descriptor: DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR
Authors:Liu, B, Reverter, D.
Deposit date:2020-10-09
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
7XX4
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BU of 7xx4 by Molmil
designed glycosyltransferase
Descriptor: Oleandomycin glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Lu, M, Wu, X.
Deposit date:2022-05-28
Release date:2023-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Design of a chimeric glycosyltransferase OleD for the site-specific O-monoglycosylation of 3-hydroxypyridine in nosiheptide.
Microb Biotechnol, 16, 2023
8JPX
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BU of 8jpx by Molmil
Cryo-EM structure of PfAgo-guide DNA-target DNA complex
Descriptor: Excess DNA, Guide DNA, MAGNESIUM ION, ...
Authors:Zhuang, L.
Deposit date:2023-06-13
Release date:2024-01-31
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute.
Mol.Cell, 84, 2024
4C8T
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BU of 4c8t by Molmil
Xenopus ZNRF3 ectodomain crystal form I
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE ZNRF3
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2013-10-01
Release date:2013-11-20
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin.
Nat.Commun., 4, 2013
4C85
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BU of 4c85 by Molmil
zebrafish ZNRF3 ectodomain crystal form II
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE ZNRF3
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2013-09-30
Release date:2013-11-20
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin.
Nat.Commun., 4, 2013
4C8C
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BU of 4c8c by Molmil
mouse ZNRF3 ectodomain crystal form III
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE ZNRF3
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2013-09-30
Release date:2013-11-20
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin.
Nat.Commun., 4, 2013
4C8A
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BU of 4c8a by Molmil
mouse ZNRF3 ectodomain crystal form II
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE ZNRF3
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2013-09-30
Release date:2013-11-20
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin.
Nat.Commun., 4, 2013
4C8V
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BU of 4c8v by Molmil
Xenopus RSPO2 Fu1-Fu2 crystal form I
Descriptor: R-SPONDIN-2
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2013-10-01
Release date:2013-11-20
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin.
Nat.Commun., 4, 2013
4C9U
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BU of 4c9u by Molmil
Xenopus ZNRF3 ectodomain in complex with Xenopus RSPO2 Fu1-Fu2 crystal form II
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE ZNRF3, R-SPONDIN-2
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2013-10-03
Release date:2013-11-20
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin.
Nat.Commun., 4, 2013
4C9E
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BU of 4c9e by Molmil
Mouse ZNRF3 ectodomain in complex with Xenopus RSPO2 Fu1-Fu2 (Seleno Met) crystal form II
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE ZNRF3, R-SPONDIN-2
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2013-10-02
Release date:2013-11-20
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin.
Nat.Commun., 4, 2013
4C8U
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BU of 4c8u by Molmil
Xenopus ZNRF3 ectodomain crystal form II
Descriptor: BROMIDE ION, E3 UBIQUITIN-PROTEIN LIGASE ZNRF3
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2013-10-01
Release date:2013-11-20
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin.
Nat.Commun., 4, 2013
4C8W
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BU of 4c8w by Molmil
Xenopus RSPO2 Fu1-Fu2 crystal form II
Descriptor: R-SPONDIN-2
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2013-10-01
Release date:2013-11-20
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin.
Nat.Commun., 4, 2013
4C8P
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BU of 4c8p by Molmil
mouse ZNRF3 ectodomain crystal form V, disulfide-bridged S90C variant
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE ZNRF3
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2013-10-01
Release date:2013-11-20
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin.
Nat.Commun., 4, 2013

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