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1LJ0
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BU of 1lj0 by Molmil
Structure of quintuple mutant of the rat outer mitocondrial cytochrome b5.
Descriptor: Cytochrome B5 outer mitochondrial membrane isoform, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cowley, A.B, Altuve, A, Kuchment, O, Terzyan, S, Zhang, X.C, Rivera, M, Benson, D.
Deposit date:2002-04-18
Release date:2002-11-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Toward engineering the stability and hemin binding properties of microsomal cytochromes b5 into rat outer mitochondrial cytochrome b5: Examining the influence of residues 25 and 71.
Biochemistry, 41, 2002
1N28
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BU of 1n28 by Molmil
Crystal structure of the H48Q mutant of human group IIA phospholipase A2
Descriptor: CALCIUM ION, Phospholipase A2, membrane associated
Authors:Edwards, S.H, Thompson, D, Baker, S.F, Wood, S.P, Wilton, D.C.
Deposit date:2002-10-22
Release date:2003-10-28
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The crystal structure of the H48Q active site mutant of human group IIA secreted phospholipase A2 at 1.5 A resolution provides an insight into the catalytic mechanism
Biochemistry, 41, 2002
1N29
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BU of 1n29 by Molmil
Crystal structure of the N1A mutant of human group IIA phospholipase A2
Descriptor: CALCIUM ION, Phospholipase A2, membrane associated
Authors:Edwards, S.H, Thompson, D, Baker, S.F, Wood, S.P, Wilton, D.C.
Deposit date:2002-10-22
Release date:2003-10-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of the H48Q active site mutant of human group IIA secreted phospholipase A2 at 1.5 A resolution provides an insight into the catalytic mechanism
Biochemistry, 41, 2002
4UP3
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BU of 4up3 by Molmil
Crystal structure of the mutant C140S,C286Q thioredoxin reductase from Entamoeba histolytica
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Podust, L.M, Vieira, D.F.
Deposit date:2014-06-11
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action.
J.Struct.Biol., 194, 2016
6LVF
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BU of 6lvf by Molmil
Cryo-EM structure of the multiple peptide resistance factor (MprF) loaded with one lysyl-phosphatidylglycerol molecule
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, Low pH-inducible protein LpiA, ...
Authors:Song, D.F, Jiao, H.Z, Liu, Z.F.
Deposit date:2020-02-02
Release date:2021-02-03
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Phospholipid translocation captured in a bifunctional membrane protein MprF.
Nat Commun, 12, 2021
6LV0
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BU of 6lv0 by Molmil
Crystal structure of the soluble domain of the multiple peptide resistance factor (MprF) from Rhizobium tropici
Descriptor: Low pH-inducible protein LpiA
Authors:Jiao, H.Z, Song, D.F, Liu, Z.F.
Deposit date:2020-02-02
Release date:2021-02-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Phospholipid translocation captured in a bifunctional membrane protein MprF.
Nat Commun, 12, 2021
7V4T
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BU of 7v4t by Molmil
Cryo-EM structure of Alphavirus M1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, E1 glycoprotein, ...
Authors:Gao, Y, Jia, X, Zhang, Q.
Deposit date:2021-08-15
Release date:2022-08-17
Method:ELECTRON MICROSCOPY (4.04 Å)
Cite:Cryo-EM evidence of viral N-glycosylation reveal receptor binding mechanisms of alphavirus M1
To Be Published
7XHF
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BU of 7xhf by Molmil
Crystal structure of the NTF2L domain of human G3BP1 in complex with the USP10 derived peptide
Descriptor: Ras GTPase-activating protein-binding protein 1, USP10/6-21
Authors:Dan, S, Weimin, G.
Deposit date:2022-04-08
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Yin and yang regulation of stress granules by Caprin-1.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XHG
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BU of 7xhg by Molmil
Crystal structure of the NTF2L domain of human G3BP1 in complex with the Caprin-1 derived peptide
Descriptor: Caprin-1(369-378), Ras GTPase-activating protein-binding protein 1
Authors:Dan, S, Weimin, G.
Deposit date:2022-04-08
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Yin and yang regulation of stress granules by Caprin-1.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DUW
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BU of 7duw by Molmil
Cryo-EM structure of the multiple peptide resistance factor (MprF) loaded with two lysyl-phosphatidylglycerol molecules
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (2~{R},3~{S},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-6-[2-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-[(1~{R},2~{R},4~{S},5'~{R},6~{R},7~{R},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxy-butoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Song, D.F, Jiao, H.Z, Liu, Z.F.
Deposit date:2021-01-12
Release date:2021-04-21
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Phospholipid translocation captured in a bifunctional membrane protein MprF.
Nat Commun, 12, 2021
4A5L
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BU of 4a5l by Molmil
Crystal structure of the thioredoxin reductase from Entamoeba histolytica
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Podust, L.M.
Deposit date:2011-10-25
Release date:2012-10-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action.
J.Struct.Biol., 194, 2016
4A65
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BU of 4a65 by Molmil
Crystal structure of the thioredoxin reductase from Entamoeba histolytica with AuCN
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Podust, L.M.
Deposit date:2011-10-31
Release date:2012-11-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action.
J.Struct.Biol., 194, 2016
3MBO
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BU of 3mbo by Molmil
Crystal Structure of the Glycosyltransferase BaBshA bound with UDP and L-malate
Descriptor: D-MALATE, GLYCEROL, Glycosyltransferase, ...
Authors:Wallace, B.D, Claiborne, A, Redinbo, M.R.
Deposit date:2010-03-25
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.307 Å)
Cite:Characterization of the N-Acetyl-alpha-d-glucosaminyl l-Malate Synthase and Deacetylase Functions for Bacillithiol Biosynthesis in Bacillus anthracis
Biochemistry, 49, 2010
7F9W
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BU of 7f9w by Molmil
CD25 in complex with Fab
Descriptor: Heavy chain of Fab, Interleukin-2 receptor subunit alpha, Light chain of Fab
Authors:Liu, C.
Deposit date:2021-07-05
Release date:2022-01-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Two novel human anti-CD25 antibodies with antitumor activity inversely related to their affinity and in vitro activity.
Sci Rep, 11, 2021
7CM4
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BU of 7cm4 by Molmil
Crystal Structure of COVID-19 virus spike receptor-binding domain complexed with a neutralizing antibody CT-P59
Descriptor: 1,2-ETHANEDIOL, IgG heavy chain, IgG light chain, ...
Authors:Kim, Y.G, Jeong, J.H, Bae, J.S, Lee, J.
Deposit date:2020-07-24
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:A therapeutic neutralizing antibody targeting receptor binding domain of SARS-CoV-2 spike protein.
Nat Commun, 12, 2021
4TVY
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BU of 4tvy by Molmil
Apo resorufin ligase
Descriptor: 5-(3,7-dihydroxy-10H-phenoxazin-2-yl)pentanamide, Lipoate-protein ligase A
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2014-06-28
Release date:2014-10-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Computational design of a red fluorophore ligase for site-specific protein labeling in living cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
6KAD
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BU of 6kad by Molmil
Cryo-EM structure of the C2S2M2L2-type PSII-LHCII supercomplex from Chlamydomonas reihardtii
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Sheng, X, Watanabe, A, Li, A.J, Kim, E, Song, C, Murata, K, Song, D.F, Minagawa, J, Liu, Z.F.
Deposit date:2019-06-21
Release date:2019-10-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insight into light harvesting for photosystem II in green algae.
Nat.Plants, 5, 2019
7S4E
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BU of 7s4e by Molmil
Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
Authors:MacPherson, D.J, Sherman, W.
Deposit date:2021-09-08
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
6KAC
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BU of 6kac by Molmil
Cryo-EM structure of the C2S2-type PSII-LHCII supercomplex from Chlamydomonas reihardtii
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Sheng, X, Li, A.J, Song, D.F, Liu, Z.F.
Deposit date:2019-06-21
Release date:2019-10-23
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural insight into light harvesting for photosystem II in green algae.
Nat.Plants, 5, 2019
2TCI
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BU of 2tci by Molmil
X-RAY CRYSTALLOGRAPHIC STUDIES ON HEXAMERIC INSULINS IN THE PRESENCE OF HELIX-STABILIZING AGENTS, THIOCYANATE, METHYLPARABEN AND PHENOL
Descriptor: THIOCYANATE INSULIN, THIOCYANATE ION, ZINC ION
Authors:Whittingham, J.L, Dodson, E.J, Moody, P.C.E, Dodson, G.G.
Deposit date:1995-09-13
Release date:1996-01-29
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents, thiocyanate, methylparaben, and phenol.
Biochemistry, 34, 1995
2UVK
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BU of 2uvk by Molmil
Structure of YjhT
Descriptor: YJHT
Authors:Muller, A, Severi, E, Wilson, K.S, Thomas, G.H.
Deposit date:2007-03-12
Release date:2007-12-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sialic Acid Mutarotation is Catalyzed by the Escherichia Coli Beta-Propeller Protein Yjht.
J.Biol.Chem., 283, 2008
8H7Z
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BU of 8h7z by Molmil
Cryo-EM structure of SARS-CoV-2 BA.2 RBD in complex with BA7535 fab (local refinement)
Descriptor: BA7535 fab, Spike glycoprotein
Authors:Liu, Z, Yan, A, Gao, Y.
Deposit date:2022-10-21
Release date:2023-08-30
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
8H7L
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BU of 8h7l by Molmil
Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7535 fab heavt chain, ...
Authors:Liu, Z, Yan, A, Gao, Y.
Deposit date:2022-10-20
Release date:2023-08-30
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
8BI2
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BU of 8bi2 by Molmil
Syk kinase domain in complex with macrocyclic inhibitor 20a
Descriptor: 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK
Authors:Read, J.A, Patel, J.
Deposit date:2022-11-01
Release date:2023-06-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.508 Å)
Cite:Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors.
Bioorg.Med.Chem.Lett., 91, 2023
4BAE
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BU of 4bae by Molmil
Optimisation of pyrroleamides as mycobacterial GyrB ATPase inhibitors: Structure Activity Relationship and in vivo efficacy in the mouse model of tuberculosis
Descriptor: 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid, CALCIUM ION, DNA GYRASE SUBUNIT B, ...
Authors:Read, J.A, Gingell, H.G, Madhavapeddi, P.
Deposit date:2012-09-13
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Optimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis.
Antimicrob.Agents Chemother., 58, 2014

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