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2QST
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BU of 2qst by Molmil
Crystal structure of the V39C mutant of the N-terminal domain of carcinoembryonic antigen (CEA)
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 5
Authors:Le Trong, I, Korotkova, N, Moseley, S.L, Stenkamp, R.E.
Deposit date:2007-07-31
Release date:2008-01-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Binding of Dr adhesins of Escherichia coli to carcinoembryonic antigen triggers receptor dissociation.
Mol.Microbiol., 67, 2008
2QOR
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BU of 2qor by Molmil
Crystal structure of Plasmodium vivax guanylate kinase
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Guanylate kinase, PYROPHOSPHATE 2-
Authors:Merritt, E.A, Le Trong, I, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-07-20
Release date:2007-08-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Plasmodium vivax guanylate kinase.
To be Published
2RIS
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BU of 2ris by Molmil
Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase of candida albicans- alternate interpretation
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase
Authors:Stenkamp, R.E, Le Trong, I.
Deposit date:2007-10-12
Release date:2008-01-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase.
Acta Crystallogr.,Sect.D, 64, 2008
2RIU
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BU of 2riu by Molmil
Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase- alternate interpreation
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase, RIBULOSE-5-PHOSPHATE
Authors:Stenkamp, R.E, Le Trong, I.
Deposit date:2007-10-12
Release date:2008-01-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase.
Acta Crystallogr.,Sect.D, 64, 2008
3DGI
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BU of 3dgi by Molmil
Crystal structure of F87A/T268A mutant of CYP BM3
Descriptor: Bifunctional P-450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Le Trong, I, Katayama, J.H, Totah, R.A, Stenkamp, R.E, Fox, E.P.
Deposit date:2008-06-13
Release date:2009-06-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Homolytic versus heterolytic dioxygen bond cleavage in cytochrome P450 BM3.
To be Published
3DWR
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BU of 3dwr by Molmil
Leishmania major coproporphyrinogen III oxidase with bound ligand
Descriptor: ACETATE ION, Coproporphyrinogen III oxidase, cyclopentylacetic acid
Authors:Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-07-22
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Leishmania major coproporphyrinogen III oxidase with bound ligand
To be Published
3DEU
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BU of 3deu by Molmil
Crystal structure of transcription regulatory protein slyA from Salmonella typhimurium in complex with salicylate ligands
Descriptor: 2-HYDROXYBENZOIC ACID, Transcriptional regulator slyA
Authors:Le Trong, I, Brzovic, P.S, Fang, F.C, Libby, S.J, Stenkamp, R.E.
Deposit date:2008-06-10
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Evolution of SlyA/RovA Transcription Factors from Repressors to Countersilencers in Enterobacteriaceae .
Mbio, 10, 2019
3DWS
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BU of 3dws by Molmil
Leishmania major Coproporphyrinogen III Oxidase with bound ligand
Descriptor: 5-fluoroindole-2-carboxylic acid, ACETATE ION, Coproporphyrinogen III oxidase
Authors:Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-07-22
Release date:2008-09-09
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Leishmania major Coproporphyrinogen III Oxidase with bound ligand
To be Published
3C5R
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BU of 3c5r by Molmil
Crystal Structure of the BARD1 Ankyrin Repeat Domain and Its Functional Consequences
Descriptor: BRCA1-associated RING domain protein 1
Authors:Fox III, D, Le Trong, I, Stenkamp, R.E, Klevit, R.E.
Deposit date:2008-02-01
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the BARD1 Ankyrin Repeat Domain and Its Functional Consequences.
J.Biol.Chem., 283, 2008
3KPA
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BU of 3kpa by Molmil
Ubiquitin fold modifier conjugating enzyme from Leishmania major (probable)
Descriptor: probable Ubiquitin fold modifier conjugating enzyme
Authors:Han, G.W, Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2009-11-16
Release date:2009-12-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ubiquitin fold modifier conjugating enzyme from Leishmania major (probable)
To be Published
3T6F
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BU of 3t6f by Molmil
Biotin complex of Y54F core streptavidin
Descriptor: BIOTIN, BIOTIN-D-SULFOXIDE, GLYCEROL, ...
Authors:Baugh, L, Le Trong, I, Cerutti, D.S, Mehta, N, Gulich, S, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P.
Deposit date:2011-07-28
Release date:2011-12-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Second-Contact Shell Mutation Diminishes Streptavidin-Biotin Binding Affinity through Transmitted Effects on Equilibrium Dynamics.
Biochemistry, 51, 2012
3T6L
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BU of 3t6l by Molmil
Y54F mutant of core streptavidin
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Streptavidin
Authors:Baugh, L, Le Trong, I, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P.
Deposit date:2011-07-28
Release date:2011-12-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Second-Contact Shell Mutation Diminishes Streptavidin-Biotin Binding Affinity through Transmitted Effects on Equilibrium Dynamics.
Biochemistry, 51, 2012
1LUQ
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BU of 1luq by Molmil
Full Matrix Error Analysis of Streptavidin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BIOTIN, GLYCEROL, ...
Authors:Merritt, E.A, Le Trong, I.
Deposit date:2002-05-23
Release date:2003-09-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Full Matrix Error Analysis of Streptavidin
To be Published
1MHX
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BU of 1mhx by Molmil
Crystal Structures of the redesigned protein G variant NuG1
Descriptor: immunoglobulin-binding protein G
Authors:Nauli, S, Kuhlman, B, Le Trong, I, Stenkamp, R.E, Teller, D.C, Baker, D.
Deposit date:2002-08-21
Release date:2002-09-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures and increased stabilization of the protein G variants with switched folding pathways NuG1 and NuG2
Protein Sci., 11, 2002
4X2Q
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BU of 4x2q by Molmil
Crystal Structure of Human Aldehyde Dehydrogenase, ALDH1a2
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Stenkamp, R.E, Le Trong, I, Amory, J.K, Paik, J, Goldstein, A.S.
Deposit date:2014-11-26
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Synthesis and In Vitro Testing of Bisdichloroacetyldiamine Analogs for Use as a Reversible Male Contraceptive
To Be Published
7SZO
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BU of 7szo by Molmil
Structure of a bacterial fimbrial tip containing FocH
Descriptor: Chaperone protein FimC, FimF protein, FimG, ...
Authors:Stenkamp, R.E, Le Trong, I, Aprikian, P, Sokurenko, E.V.
Deposit date:2021-11-29
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recombinant FimH Adhesin Demonstrates How the Allosteric Catch Bond Mechanism Can Support Fast and Strong Bacterial Attachment in the Absence of Shear.
J.Mol.Biol., 434, 2022
1B71
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BU of 1b71 by Molmil
RUBRERYTHRIN
Descriptor: FE (III) ION, PROTEIN (RUBRERYTHRIN), ZINC ION
Authors:Sieker, L.C, Holmes, M, Le Trong, I, Turley, S, Santarsiero, B.D, Liu, M.-Y, Legall, J, Stenkamp, R.E.
Deposit date:1999-01-26
Release date:2000-01-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Alternative metal-binding sites in rubrerythrin.
Nat.Struct.Biol., 6, 1999
4PNG
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BU of 4png by Molmil
Glutathione S-transferase from Drosophila melanogaster - isozyme E7
Descriptor: L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, LD04004p
Authors:Scian, M, Le Trong, I, Mannervik, B, Atkins, W.M, Stenkamp, R.E.
Deposit date:2014-05-23
Release date:2015-05-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Comparison of epsilon- and delta-class glutathione S-transferases: the crystal structures of the glutathione S-transferases DmGSTE6 and DmGSTE7 from Drosophila melanogaster.
Acta Crystallogr.,Sect.D, 71, 2015
4PNF
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BU of 4pnf by Molmil
Glutathione S-Transferase from Drosophila melanogaster - isozyme E6
Descriptor: GLUTATHIONE, RE21095p
Authors:Scian, M, Le Trong, I, Mannervik, B, Atkins, W.M, Stenkamp, R.E.
Deposit date:2014-05-23
Release date:2015-05-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Comparison of epsilon- and delta-class glutathione S-transferases: the crystal structures of the glutathione S-transferases DmGSTE6 and DmGSTE7 from Drosophila melanogaster.
Acta Crystallogr.,Sect.D, 71, 2015
3BWM
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BU of 3bwm by Molmil
Crystal Structure of Human Catechol O-Methyltransferase with bound SAM and DNC
Descriptor: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Rutherford, K, Le Trong, I, Stenkamp, R.E, Parson, W.W.
Deposit date:2008-01-09
Release date:2008-06-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structures of human 108V and 108M catechol O-methyltransferase.
J.Mol.Biol., 380, 2008
3BWC
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BU of 3bwc by Molmil
Crystal structure of spermidine synthase from Trypanosoma cruzi in complex with SAM at 2.3 A resolution
Descriptor: BETA-MERCAPTOETHANOL, S-ADENOSYLMETHIONINE, Spermidine synthase
Authors:Bosch, J, Arakaki, T.L, Le Trong, I, Merritt, E.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-01-09
Release date:2008-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of spermidine synthase from Trypanosoma cruzi.
To be Published
3BWY
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BU of 3bwy by Molmil
Crystal Structure of Human 108M Catechol O-methyltransferase bound with S-adenosylmethionine and inhibitor dinitrocatechol
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3,5-DINITROCATECHOL, COMT protein, ...
Authors:Rutherford, K, Le Trong, I, Stenkamp, R.E, Parson, W.W.
Deposit date:2008-01-10
Release date:2008-06-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structures of human 108V and 108M catechol O-methyltransferase.
J.Mol.Biol., 380, 2008
4YVB
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BU of 4yvb by Molmil
Structure of D128N streptavidin
Descriptor: BIOTIN, Streptavidin
Authors:Baugh, L, Le Trong, I, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P.
Deposit date:2015-03-19
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:A Streptavidin Binding Site Mutation Yields an Unexpected Result
To Be Published
3UC8
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BU of 3uc8 by Molmil
Trp-cage cyclo-TC1 - tetragonal crystal form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, cyclo-TC1
Authors:Scian, M, Le Trong, I, Stenkamp, R.E, Andersen, N.H.
Deposit date:2011-10-26
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UC7
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BU of 3uc7 by Molmil
Trp-cage cyclo-TC1 - monoclinic crystal form
Descriptor: CHLORIDE ION, Cyclo-TC1
Authors:Scian, M, Le Trong, I, Stenkamp, R.E, Andersen, N.H.
Deposit date:2011-10-26
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
Proc.Natl.Acad.Sci.USA, 109, 2012

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