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6YWQ
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BU of 6ywq by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148H variant
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase
Authors:Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I.
Deposit date:2020-04-30
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Insights into the mechanisms of light-oxygen-voltage domain color tuning from a set of high-resolution X-ray structures.
Proteins, 2021
6YWR
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BU of 6ywr by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148H variant (space group C2)
Descriptor: FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase, SULFATE ION
Authors:Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I.
Deposit date:2020-04-30
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into the mechanisms of light-oxygen-voltage domain color tuning from a set of high-resolution X-ray structures.
Proteins, 2021
6YWG
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BU of 6ywg by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148N variant
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase
Authors:Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I.
Deposit date:2020-04-29
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Insights into the mechanisms of light-oxygen-voltage domain color tuning from a set of high-resolution X-ray structures.
Proteins, 2021
8B7D
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BU of 8b7d by Molmil
Luminal domain of TMEM106B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
Authors:Pye, V.E, Roustan, C, Cherepanov, P.
Deposit date:2022-09-29
Release date:2023-07-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:TMEM106B is a receptor mediating ACE2-independent SARS-CoV-2 cell entry.
Cell, 186, 2023
8DEA
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BU of 8dea by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide, Complement factor D, GLYCEROL
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-20
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8DG6
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BU of 8dg6 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide, Complement factor D
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-23
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8D95
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BU of 8d95 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: Complement factor D, N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-09
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
7N7X
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BU of 7n7x by Molmil
Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution
Descriptor: Orladeyo, PHOSPHATE ION, Plasma kallikrein light chain
Authors:Krishnan, R, Yarlagadda, B.S, Kotian, P, Polach, K.J, Zhang, W.
Deposit date:2021-06-11
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE).
J.Med.Chem., 64, 2021
7QI3
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BU of 7qi3 by Molmil
Structure of Fusarium verticillioides NAT1 (FDB2) N-malonyltransferase
Descriptor: 1,2-ETHANEDIOL, Arylamine N-acetyltransferase, DI(HYDROXYETHYL)ETHER, ...
Authors:Lowe, E.D, Kotomina, E, Karagianni, E, Boukouvala, S.
Deposit date:2021-12-14
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fusarium verticillioides NAT1 (FDB2) N-malonyltransferase is structurally, functionally and phylogenetically distinct from its N-acetyltransferase (NAT) homologues.
Febs J., 290, 2023
2LKH
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BU of 2lkh by Molmil
WSA minor conformation
Descriptor: Acetylcholine receptor
Authors:Xu, Y, Mowrey, D, Cui, T, Perez-Aguilar, J, Saven, J.G, Eckenhoff, R, Tang, P.
Deposit date:2011-10-11
Release date:2012-01-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure and dynamics of a designed water-soluble transmembrane domain of nicotinic acetylcholine receptor.
Biochim.Biophys.Acta, 1818, 2011
2LKG
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BU of 2lkg by Molmil
WSA major conformation
Descriptor: Acetylcholine receptor
Authors:Xu, Y, Mowrey, D, Cui, T, Perez-Aguilar, J.M, Saven, J.G, Eckenhoff, R, Tang, P.
Deposit date:2011-10-11
Release date:2012-01-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure and dynamics of a designed water-soluble transmembrane domain of nicotinic acetylcholine receptor.
Biochim.Biophys.Acta, 1818, 2011
7ZBU
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BU of 7zbu by Molmil
CryoEM structure of SARS-CoV-2 spike monomer in complex with neutralising antibody P008_60
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, P008_60 antibody, ...
Authors:Rosa, A, Pye, V.E, Cronin, N, Cherepanov, P.
Deposit date:2022-03-24
Release date:2022-08-17
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (4.31 Å)
Cite:A neutralizing epitope on the SD1 domain of SARS-CoV-2 spike targeted following infection and vaccination.
Cell Rep, 40, 2022
2M62
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BU of 2m62 by Molmil
Solution Structure of a Chi/Lambda Conotoxin fron Conus araneosus
Descriptor: Chi-conotoxin-like Ar1248
Authors:Sarma, S.P, Ganesan, S, Gowd K, H, Padmanabhan, B.
Deposit date:2013-03-19
Release date:2014-04-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure of Ar1248, a Chi/Lambda conotoxin from Conus araneosus
To Be Published
2JRB
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BU of 2jrb by Molmil
C-terminal domain of ORF1p from mouse LINE-1
Descriptor: ORF 1 protein
Authors:Januszyk, K, Clubb, R.
Deposit date:2007-06-21
Release date:2007-07-17
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Identification and solution structure of a highly conserved C-terminal domain within ORF1p required for retrotransposition of long interspersed nuclear element-1.
J.Biol.Chem., 282, 2007
6W2S
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BU of 6w2s by Molmil
Structure of the Cricket Paralysis Virus 5-UTR IRES (CrPV 5-UTR-IRES) bound to the small ribosomal subunit in the open state (Class 1)
Descriptor: 18S rRNA, CrPV 5'-UTR IRES, Eukaryotic translation initiation factor 3 subunit A, ...
Authors:Neupane, R, Pisareva, V, Rodriguez, C.F, Pisarev, A, Fernandez, I.S.
Deposit date:2020-03-08
Release date:2020-04-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:A complex IRES at the 5'-UTR of a viral mRNA assembles a functional 48S complex via an uAUG intermediate.
Elife, 9, 2020
6FGE
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BU of 6fge by Molmil
Crystal structure of human ZUFSP/ZUP1 in complex with ubiquitin
Descriptor: ACETATE ION, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kwasna, D, Abdul Rehman, S.A, Kulathu, Y.
Deposit date:2018-01-10
Release date:2018-04-04
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery and Characterization of ZUFSP/ZUP1, a Distinct Deubiquitinase Class Important for Genome Stability.
Mol. Cell, 70, 2018
5K9P
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BU of 5k9p by Molmil
Ser20 phosphorylated ubiquitin
Descriptor: Polyubiquitin-B
Authors:Huguenin-Dezot, N, Chin, J.W.
Deposit date:2016-06-01
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Synthesis of Isomeric Phosphoubiquitin Chains Reveals that Phosphorylation Controls Deubiquitinase Activity and Specificity.
Cell Rep, 16, 2016
3F03
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BU of 3f03 by Molmil
Crystal structure of Pentaerythritol Tetranitrate Reductase complex with 1-nitrocyclohexene
Descriptor: 1-nitrocyclohexene, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Roujeinikova, A.R, Toogood, H.S, Leys, D.
Deposit date:2008-10-24
Release date:2008-12-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structure-based insight into the asymmetric bioreduction of the C=C double bond of alpha,beta-unsaturated nitroalkenes by pentaerythritol tetranitrate reductase.
To be published
1YCR
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BU of 1ycr by Molmil
MDM2 BOUND TO THE TRANSACTIVATION DOMAIN OF P53
Descriptor: MDM2, P53
Authors:Kussie, P.H, Pavletich, N.P.
Deposit date:1996-09-30
Release date:1997-11-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the MDM2 oncoprotein bound to the p53 tumor suppressor transactivation domain.
Science, 274, 1996
1YCQ
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BU of 1ycq by Molmil
XENOPUS LAEVIS MDM2 BOUND TO THE TRANSACTIVATION DOMAIN OF HUMAN P53
Descriptor: MDM2, P53
Authors:Kussie, P.H, Pavletich, N.P.
Deposit date:1996-09-30
Release date:1997-11-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the MDM2 oncoprotein bound to the p53 tumor suppressor transactivation domain.
Science, 274, 1996
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