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7AEG
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BU of 7aeg by Molmil
SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide
Authors:Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A.
Deposit date:2020-09-17
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
7AEH
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BU of 7aeh by Molmil
SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1
Descriptor: (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A.
Deposit date:2020-09-17
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
7QRG
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BU of 7qrg by Molmil
Structure of the post-fusion complex between precursor membrane ectodomain (prM) and envelope ectodomain protein (E) from tick-borne encephalitis virus
Descriptor: Envelope protein E, GLYCEROL, Genome polyprotein
Authors:Vaney, M.C, Rouvinski, A, Rey, F.A.
Deposit date:2022-01-11
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Evolution and activation mechanism of the flavivirus class II membrane-fusion machinery.
Nat Commun, 13, 2022
5LVH
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BU of 5lvh by Molmil
Hen Egg White Lysozyme co-crystallized with trans-Ru(DMSO)4Cl2
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Kurpiewska, K, Halajko, P, Lewinski, K.
Deposit date:2016-09-14
Release date:2016-09-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme
To Be Published
5LVJ
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BU of 5lvj by Molmil
Hen Egg White Lysozyme co-crystallized with [H2Ind][trans-RuCl4(DMSO)(HInd)]
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Kurpiewska, K, Halajko, P, Lewinski, K.
Deposit date:2016-09-14
Release date:2016-09-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme
To Be Published
5LVI
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BU of 5lvi by Molmil
Hen Egg White Lysozyme co-crystallized with [HIsq][trans-RuCl4(DMSO)(Isq)]
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Kurpiewska, K, Halajko, P, Lewinski, K.
Deposit date:2016-09-14
Release date:2016-09-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme
To Be Published
5LVG
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BU of 5lvg by Molmil
Hen Egg White Lysozyme co-crystallized with cis-Ru(DMSO)4Cl2
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Kurpiewska, K, Halajko, P, Lewinski, K.
Deposit date:2016-09-14
Release date:2016-09-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme
To Be Published
5LVK
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BU of 5lvk by Molmil
Human Lysozyme co-crystallized with [H2Ind][trans-RuCl4(DMSO)(HInd)]
Descriptor: CHLORIDE ION, Lysozyme C, NITRATE ION, ...
Authors:Kurpiewska, K, Szura, A, Lewinski, K.
Deposit date:2016-09-14
Release date:2016-09-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme
To Be Published
8OFN
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BU of 8ofn by Molmil
Structure of the yellow fever virus (Asibi strain) dimeric envelope protein
Descriptor: Envelope glycoprotein, SULFATE ION
Authors:Covernton, E, Vaney, M.C, Barba-Spaeth, G, Rey, F.A.
Deposit date:2023-03-16
Release date:2023-08-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:New insight into flavivirus maturation from structure/function studies of the yellow fever virus envelope protein complex.
Mbio, 14, 2023
8P0P
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BU of 8p0p by Molmil
Crystal structure of AaNGT complexed to UDP-2F-Glucose
Descriptor: Adhesin, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
Authors:Piniello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R.
Deposit date:2023-05-10
Release date:2023-09-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase.
Nat Commun, 14, 2023
8P0O
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BU of 8p0o by Molmil
Crystal structure of AaNGT complexed to UDP-Gal
Descriptor: 1,2-ETHANEDIOL, Adhesin, GALACTOSE-URIDINE-5'-DIPHOSPHATE
Authors:Pinello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R.
Deposit date:2023-05-10
Release date:2023-09-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase.
Nat Commun, 14, 2023
8P0Q
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BU of 8p0q by Molmil
Crystal structure of AaNGT complexed to UDP and a peptide
Descriptor: Adhesin, PHE-GLY-ASN-TRP-THR-THR, URIDINE-5'-DIPHOSPHATE
Authors:Piniello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R.
Deposit date:2023-05-10
Release date:2023-09-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase.
Nat Commun, 14, 2023
2GHR
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BU of 2ghr by Molmil
Crystal structure of homoserine o-succinyltransferase (NP_981826.1) from Bacillus cereus ATCC 10987 at 2.40 A resolution
Descriptor: Homoserine O-succinyltransferase, SULFATE ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-03-27
Release date:2006-04-11
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of homoserine O-succinyltransferase from Bacillus cereus at 2.4 A resolution
Proteins, 68, 2007
7QRF
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BU of 7qrf by Molmil
Structure of the dimeric complex between precursor membrane ectodomain (prM) and envelope protein ectodomain (E) from tick-borne encephalitis virus
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Envelope protein E, ...
Authors:Vaney, M.C, Rouvinski, A, Rey, F.A.
Deposit date:2022-01-11
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Evolution and activation mechanism of the flavivirus class II membrane-fusion machinery.
Nat Commun, 13, 2022
6EPK
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BU of 6epk by Molmil
CRYSTAL STRUCTURE OF THE PRECURSOR MEMBRANE PROTEIN-ENVELOPE PROTEIN HETERODIMER FROM THE YELLOW FEVER VIRUS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, GLYCEROL, ...
Authors:Rey, F.A, Duquerroy, S, Crampon, E, Barba-Spaeth, G.
Deposit date:2017-10-11
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:New insight into flavivirus maturation from structure/function studies of the yellow fever virus envelope protein complex
Mbio, 2023
2MKX
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BU of 2mkx by Molmil
Solution structure of LysM the peptidoglycan binding domain of autolysin AtlA from Enterococcus faecalis
Descriptor: Autolysin
Authors:Baxter, N.J, Williamson, M.P.
Deposit date:2014-02-14
Release date:2014-06-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular basis for bacterial peptidoglycan recognition by LysM domains.
Nat Commun, 5, 2014
5DCX
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BU of 5dcx by Molmil
Structural studies of AAV2 Rep68 reveal a partially structured linker and compact domain conformation
Descriptor: MAGNESIUM ION, Protein Rep68
Authors:Musayev, F.N, Zarate-Perez, F.
Deposit date:2015-08-24
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Studies of AAV2 Rep68 Reveal a Partially Structured Linker and Compact Domain Conformation.
Biochemistry, 54, 2015
2Q2T
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BU of 2q2t by Molmil
Structure of Chlorella virus DNA ligase-adenylate bound to a 5' phosphorylated nick
Descriptor: 5'-D(*AP*TP*TP*GP*CP*GP*AP*CP*(OMC)P*C)-3', 5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3', 5'-D(P*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*A)-3', ...
Authors:Lima, C.D, Nandakumar, J, Nair, P.A, Smith, P, Shuman, S.
Deposit date:2007-05-29
Release date:2007-07-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for nick recognition by a minimal pluripotent DNA ligase.
Nat.Struct.Mol.Biol., 14, 2007
4ZO0
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BU of 4zo0 by Molmil
X-ray Structure of AAV-2 Origin Binding Domain
Descriptor: ISOPROPYL ALCOHOL, MAGNESIUM ION, Protein Rep68
Authors:Musayev, F.N, Zarate-Perez, F, Escalante, C.R.
Deposit date:2015-05-05
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Studies of AAV2 Rep68 Reveal a Partially Structured Linker and Compact Domain Conformation.
Biochemistry, 54, 2015
2Q2U
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BU of 2q2u by Molmil
Structure of Chlorella virus DNA ligase-product DNA complex
Descriptor: 5'-D(*AP*TP*TP*GP*CP*GP*AP*CP*(OMC)P*CP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*A)-3', 5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3', Chlorella virus DNA ligase
Authors:Lima, C.D, Nandakumar, J, Nair, P.A, Smith, P, Shuman, S.
Deposit date:2007-05-29
Release date:2007-07-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for nick recognition by a minimal pluripotent DNA ligase.
Nat.Struct.Mol.Biol., 14, 2007
2ETS
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BU of 2ets by Molmil
CRYSTAL STRUCTURE OF A BACTERIAL DOMAIN OF UNKNOWN FUNCTION FROM DUF1798 FAMILY (MW1337) FROM STAPHYLOCOCCUS AUREUS SUBSP. AUREUS AT 2.25 A RESOLUTION
Descriptor: CHLORIDE ION, PHOSPHATE ION, hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2005-10-27
Release date:2005-11-08
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structures of MW1337R and lin2004: representatives of a novel protein family that adopt a four-helical bundle fold.
Proteins, 71, 2008
2HUJ
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BU of 2huj by Molmil
Crystal structure of a protein of uknown function (NP_471338.1) from Listeria innocua at 1.74 A resolution
Descriptor: Lin2004 protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-07-26
Release date:2006-08-08
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structures of MW1337R and lin2004: representatives of a novel protein family that adopt a four-helical bundle fold.
Proteins, 71, 2008
1FHJ
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BU of 1fhj by Molmil
CRYSTAL STRUCTURE OF AQUOMET HEMOGLOBIN-I OF THE MANED WOLF (CHRYSOCYON BRACHYURUS) AT 2.0 RESOLUTION.
Descriptor: HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Fadel, V, de Azevedo, W.F.
Deposit date:2000-08-01
Release date:2001-08-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of hemoglobin from the maned wolf (Chrysocyon brachyurus) using synchrotron radiation.
Protein Pept.Lett., 10, 2003
5NA9
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BU of 5na9 by Molmil
The X-ray structure of bovine pancreatic ribonuclease incubated in the presence of an excess of carboplatin (1:10 ratio)
Descriptor: CESIUM ION, CHLORIDE ION, Ribonuclease pancreatic, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2017-02-27
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:A comparison study on RNase A oligomerization induced by cisplatin, carboplatin and oxaliplatin.
J. Inorg. Biochem., 173, 2017
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