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1W9M
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BU of 1w9m by Molmil
AS-isolated hybrid cluster protein from Desulfovibrio vulgaris X-ray structure at 1.35A resolution using iron anomalous signal
Descriptor: FE-S-O HYBRID CLUSTER, HYDROXYLAMINE REDUCTASE, IRON/SULFUR CLUSTER
Authors:Aragao, D, Macedo, S, Mitchell, E.P, Coelho, D, Romao, C.V, Teixeira, M, Lindley, P.F.
Deposit date:2004-10-14
Release date:2005-02-04
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and Functional Relationships in the Hybrid Cluster Protein Family:Structure of the Anaerobically Purified Hybrid Cluster Protein from Desulfovibrio Vulgaris at 1.35 A Resolution
Acta Crystallogr.,Sect.D, 64, 2008
2UX8
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Crystal Structure of Sphingomonas elodea ATCC 31461 Glucose-1- phosphate uridylyltransferase in Complex with glucose-1-phosphate.
Descriptor: 1-O-phosphono-alpha-D-glucopyranose, GLUCOSE-1-PHOSPHATE URIDYLYLTRANSFERASE
Authors:Aragao, D, Fialho, A.M, Marques, A.R, Frazao, C, Sa-Correia, I, Mitchell, E.P.
Deposit date:2007-03-27
Release date:2007-05-22
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Complex of Sphingomonas Elodea Atcc 31461 Glucose-1-Phosphate Uridylyltransferase with Glucose-1-Phosphate Reveals a Novel Quaternary Structure, Unique Among Nucleoside Diphosphate-Sugar Pyrophosphorylase Members.
J.Bacteriol., 189, 2007
1GYO
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BU of 1gyo by Molmil
Crystal structure of the di-tetraheme cytochrome c3 from Desulfovibrio gigas at 1.2 Angstrom resolution
Descriptor: CYTOCHROME C3, A DIMERIC CLASS III C-TYPE CYTOCHROME, GLYCEROL, ...
Authors:Aragao, D, Frazao, C, Sieker, L, Sheldrick, G.M, Legall, J, Carrondo, M.A.
Deposit date:2002-04-29
Release date:2002-05-24
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of Dimeric Cytochrome C3 from Desulfovibrio Gigas at 1.2 A Resolution
Acta Crystallogr.,Sect.D, 59, 2003
1OA1
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BU of 1oa1 by Molmil
REDUCED HYBRID CLUSTER PROTEIN (HCP) FROM DESULFOVIBRIO VULGARIS HILDENBOROUGH STRUCTURE AT 1.55A RESOLUTION USING SYNCHROTRON RADIATION.
Descriptor: FE4-S3 CLUSTER, GLYCEROL, HYDROXYLAMINE REDUCTASE, ...
Authors:Aragao, D, Macedo, S, Mitchell, E.P, Romao, C.V, Liu, M.Y, Frazao, C, Saraiva, L.M, Xavier, A.V, Legall, J, Van Dongen, W.M.A.M, Hagen, W.R, Teixeira, M, Carrondo, M.A, Lindley, P.F.
Deposit date:2002-12-23
Release date:2003-04-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Reduced Hybrid Cluster Proteins (Hcp) from Desulfovibrio Desulfuricans Atcc 27774 and Desulfovibrio Vulgaris (Hildenborough): X-Ray Structures at High Resolution Using Synchrotron Radiation
J.Biol.Inorg.Chem., 8, 2003
1UPX
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BU of 1upx by Molmil
The crystal structure of the Hybrid Cluster Protein from Desulfovibrio desulfuricans containing molecules in the oxidized and reduced states.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE4-S3 CLUSTER, HYDROXYLAMINE REDUCTASE, ...
Authors:Aragao, D, Macedo, S, Mitchell, E.P, Lindley, P.F.
Deposit date:2003-10-14
Release date:2003-12-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure of the Hybrid Cluster Protein (Hcp) from Desulfovibrio Desulfuricans Atcc 27774 Containing Molecules in the Oxidized and Reduced States
Acta Crystallogr.,Sect.D, 59, 2003
1OA0
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BU of 1oa0 by Molmil
REDUCED HYBRID CLUSTER PROTEIN FROM DESULFOVIBRIO DESULFURICANS X-RAY STRUCTURE AT 1.25A RESOLUTION
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE4-S3 CLUSTER, IRON/SULFUR CLUSTER, ...
Authors:Macedo, S, Aragao, D, Mitchell, E.P, Romao, C.V, Liu, M.Y, Frazao, C, Saraiva, L.M, Xavier, A.V, Legall, J, Van Dongen, W.M.A.M, Hagen, W.R, Teixeira, M, Carrondo, M.A, Lindley, P.F.
Deposit date:2002-12-23
Release date:2003-04-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Reduced hybrid cluster proteins (HCP) from Desulfovibrio desulfuricans ATCC 27774 and Desulfovibrio vulgaris (Hildenborough): X-ray structures at high resolution using synchrotron radiation.
J. Biol. Inorg. Chem., 8, 2003
1OO7
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BU of 1oo7 by Molmil
DNA.RNA HYBRID DUPLEX CONTAINING A 5-PROPYNE DNA STRAND AND PURINE-RICH RNA STRAND, NMR, 4 STRUCTURES
Descriptor: 5'-D(*GP*(5PC)P*(PDU)P*(PDU)P*(5PC)P*(PDU)P*(5PC)P*(PDU)P*(PDU)P*C)-3', 5'-R(*GP*AP*AP*GP*AP*GP*AP*AP*GP*C)-3'
Authors:Gyi, J.I, Gao, D, Conn, G.L, Trent, J.O, Brown, T, Lane, A.N.
Deposit date:2003-03-03
Release date:2003-11-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The solution structure of a DNA*RNA duplex containing 5-propynyl U and C; comparison with 5-Me modifications
Nucleic Acids Res., 31, 2003
4H42
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BU of 4h42 by Molmil
Synthesis of a Weak Basic uPA Inhibitor and Crystal Structure of Complex with uPA
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, N-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine, Urokinase-type plasminogen activator
Authors:Yu, H.-Y, Gao, D, Zhang, X, Jiang, L.-G, Hong, Z.-B, Yuan, C, Fang, X, Wang, J.-D, Huang, M.-D.
Deposit date:2012-09-14
Release date:2013-10-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Synthesis of a Weak Basic uPA Inhibitor and Crystal Structure of Complex with uPA
CHIN.J.STRUCT.CHEM., 32, 2013
7VA1
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BU of 7va1 by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with GDD-04-35
Descriptor: 4-[(3-ethanoylphenyl)sulfamoyl]-~{N}-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide, D-3-phosphoglycerate dehydrogenase
Authors:Cen, Y, Gao, D, Zhou, J, Tian, P.
Deposit date:2021-08-27
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with GDD-04-35
To Be Published
6NRP
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BU of 6nrp by Molmil
Putative short-chain dehydrogenase/reductase (SDR) from Acinetobacter baumannii
Descriptor: 3-oxoacyl-ACP reductase FabG
Authors:Cross, E.M, Smith, K.M, Shaw, K.I, Aragao, D, Forwood, J.K.
Deposit date:2019-01-23
Release date:2019-02-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into Acinetobacter baumannii fatty acid synthesis 3-oxoacyl-ACP reductases.
Sci Rep, 11, 2021
4UXW
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BU of 4uxw by Molmil
Structure of delta4-DgkA-apo in 9.9 MAG
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4S)-2-METHYL-2,4-PENTANEDIOL, DIACYLGLYCEROL KINASE, ...
Authors:Li, D, Pye, V.E, Aragao, D, Caffrey, M.
Deposit date:2014-08-27
Release date:2015-09-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
6YB7
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BU of 6yb7 by Molmil
SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19).
Descriptor: 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE
Authors:Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A.
Deposit date:2020-03-16
Release date:2020-03-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:COVID-19 main protease with unliganded active site
To Be Published
6Y84
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BU of 6y84 by Molmil
SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19)
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A.
Deposit date:2020-03-03
Release date:2020-03-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:COVID-19 main protease with unliganded active site
To Be Published
8QXX
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BU of 8qxx by Molmil
HCMV DNA polymerase processivity factor UL44 phosphorylated NLS 410-433 bound to mouse importin alpha 2
Descriptor: DNA polymerase processivity factor, Importin subunit alpha-1
Authors:Cross, E.M, Marin, O, Ariawan, D, Aragao, D, Cozza, G, Di Iorio, E, Forwood, J.K, Alvisi, G.
Deposit date:2023-10-25
Release date:2023-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural determinants of phosphorylation-dependent nuclear transport of HCMV DNA polymerase processivity factor UL44.
Febs Lett., 598, 2024
8QXW
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BU of 8qxw by Molmil
HCMV DNA polymerase processivity factor UL44 unphosphorylated NLS 410-433 bound to mouse importin alpha 2
Descriptor: DNA polymerase processivity factor, Importin subunit alpha-1
Authors:Cross, E.M, Marin, O, Ariawan, D, Aragao, D, Cozza, G, Di Iorio, E, Forwood, J.K, Alvisi, G.
Deposit date:2023-10-25
Release date:2023-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural determinants of phosphorylation-dependent nuclear transport of HCMV DNA polymerase processivity factor UL44.
Febs Lett., 598, 2024
6NZX
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BU of 6nzx by Molmil
Hadesarchaea YNP_N21 cytochrome b5 domain protein (KUO41884.1)
Descriptor: Cytochrome B5, PROTOPORPHYRIN IX CONTAINING FE
Authors:Teakel, S.L, Marama, M.S, Aragao, D, Forwood, J.K, Cahill, M.A.
Deposit date:2019-02-14
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hadesarchaea YNP_N21 cytochrome b5 domain protein (KUO41884.1)
To Be Published
6PZN
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BU of 6pzn by Molmil
Putative SDR from Acinetobacter baumannii Crystal Form 2
Descriptor: 3-ketoacyl-ACP reductase
Authors:Cross, E.M, Aragao, D, Forwood, J.K.
Deposit date:2019-08-01
Release date:2019-08-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of a short-chain dehydrogenase/reductase from multi-drug resistant Acinetobacter baumannii.
Biochem.Biophys.Res.Commun., 518, 2019
2YEV
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BU of 2yev by Molmil
Structure of caa3-type cytochrome oxidase
Descriptor: (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, (2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE, (2R)-3-HYDROXYPROPANE-1,2-DIYL DIHEXADECANOATE, ...
Authors:Lyons, J.A, Aragao, D, Soulimane, T, Caffrey, M.
Deposit date:2011-03-31
Release date:2012-05-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural Insights Into Electron Transfer in Caa3-Type Cytochrome Oxidases.
Nature, 487, 2012
2Y6N
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BU of 2y6n by Molmil
STRUCTURE OF LINEAR GRAMICIDIN D OBTAINED USING TYPE I CRYSTALS GROWN IN A 8.8 MONOACYLGLYCEROL LIPID CUBIC PHASE.
Descriptor: O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, POLYETHYLENE GLYCOL (N=34), VAL-GRAMICIDIN A
Authors:Hoefer, N, Aragao, D, Caffrey, M.
Deposit date:2011-01-25
Release date:2011-05-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Membrane Protein Crystallization in Lipidic Mesophases. Hosting Lipid Effects on the Crystallization and Structure of a Transmembrane Peptide
Cryst.Growth Des., 11, 2011
2XDC
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BU of 2xdc by Molmil
Structure of linear gramicidin D obtained using Type I crystals grown in a lipid cubic phase.
Descriptor: GRAMICIDIN A, POLYETHYLENE GLYCOL (N=34), SODIUM ION
Authors:Hoefer, N, Aragao, D, Caffrey, M.
Deposit date:2010-04-30
Release date:2010-08-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallizing Transmembrane Peptides in Lipidic Mesophases
Biophys.J., 99, 2010
2Y5M
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BU of 2y5m by Molmil
STRUCTURE OF LINEAR GRAMICIDIN D OBTAINED USING TYPE I CRYSTALS GROWN IN A 7.7 MONOACYLGLYCEROL LIPID CUBIC PHASE.
Descriptor: POLYETHYLENE GLYCOL (N=34), VAL-GRAMICIDIN A
Authors:Hoefer, N, Aragao, D, Caffrey, M.
Deposit date:2011-01-14
Release date:2011-05-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Membrane Protein Crystallization in Lipidic Mesophases. Hosting Lipid Effects on the Crystallization and Structure of a Transmembrane Peptide
Cryst.Growth Des., 11, 2011
2VKR
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BU of 2vkr by Molmil
3Fe-4S, 4Fe-4S plus Zn Acidianus ambivalens ferredoxin
Descriptor: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ZINC ION, ...
Authors:Frazao, C, Aragao, D, Coelho, R, Leal, S.S, Gomes, C.M, Teixeira, M, Carrondo, M.A.
Deposit date:2007-12-23
Release date:2008-03-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystallographic analysis of the intact metal centres [3Fe-4S](1+/0) and [4Fe-4S](2+/1+) in a Zn(2+) -containing ferredoxin.
FEBS Lett., 582, 2008
6WX9
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BU of 6wx9 by Molmil
SOX2 bound to Importin-alpha 5
Descriptor: Importin subunit alpha-5, Transcription factor SOX-2
Authors:Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N.
Deposit date:2020-05-10
Release date:2020-10-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
6WX7
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BU of 6wx7 by Molmil
SOX2 bound to Importin-alpha 2
Descriptor: Importin subunit alpha-1, Transcription factor SOX-2
Authors:Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N.
Deposit date:2020-05-09
Release date:2020-10-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
6WX8
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BU of 6wx8 by Molmil
SOX2 bound to Importin-alpha 3
Descriptor: Importin subunit alpha-3, SULFATE ION, Transcription factor SOX-2
Authors:Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N.
Deposit date:2020-05-10
Release date:2020-10-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021

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