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3ISI
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BU of 3isi by Molmil
Crystal structure of Sco3058 with bound inhibitor L-Ala-L-Asp Phosphinodipeptide
Descriptor: (2S)-2-{[(S)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid, ZINC ION, renal dipeptidase
Authors:Nguyen, T.T.
Deposit date:2009-08-25
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Sco3058 with bound inhibitor L-Ala-L-Asp Phosphinodipeptide
To be Published
3MDJ
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BU of 3mdj by Molmil
ER Aminopeptidase, ERAP1, Bound to the Zinc Aminopeptidase Inhibitor, Bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nguyen, T.T, Stern, L.J.
Deposit date:2010-03-30
Release date:2011-03-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for antigenic peptide precursor processing by the endoplasmic reticulum aminopeptidase ERAP1.
Nat.Struct.Mol.Biol., 18, 2011
7SBN
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BU of 7sbn by Molmil
Human glutaminase C (Y466W) with L-Gln, closed conformation
Descriptor: GLUTAMINE, Isoform 3 of Glutaminase kidney isoform, mitochondrial
Authors:Nguyen, T.-T.T, Cerione, R.A.
Deposit date:2021-09-25
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:High-resolution structures of mitochondrial glutaminase C tetramers indicate conformational changes upon phosphate binding.
J.Biol.Chem., 298, 2022
7SBM
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BU of 7sbm by Molmil
Human glutaminase C (Y466W) with L-Gln, open conformation
Descriptor: GLUTAMINE, Isoform 3 of Glutaminase kidney isoform, mitochondrial
Authors:Nguyen, T.-T.T, Cerione, R.A.
Deposit date:2021-09-25
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:High-resolution structures of mitochondrial glutaminase C tetramers indicate conformational changes upon phosphate binding.
J.Biol.Chem., 298, 2022
7Q5C
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BU of 7q5c by Molmil
Crystal structure of OmpG in space group 96
Descriptor: Outer membrane porin G, SODIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Nguyen, T.T.M, Khan, A.R, Barringer, R, McManus, J.J, Race, P.R.
Deposit date:2021-11-03
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.717 Å)
Cite:Experimental phase diagrams to optimise OmpG
To Be Published
7ALM
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BU of 7alm by Molmil
Crystal structure of human GDAP1 at 2.8 Angstrom resolution.
Descriptor: Ganglioside-induced differentiation-associated protein 1
Authors:Nguyen, G.T.T, Sutinen, A, Raasakka, A, Kursula, P.
Deposit date:2020-10-06
Release date:2021-02-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Complete Dimeric Human GDAP1 Core Domain Provides Insights into Ligand Binding and Clustering of Disease Mutations.
Front Mol Biosci, 7, 2020
7AIA
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BU of 7aia by Molmil
Complex of human GDAP1 with hexadecanedioic acid
Descriptor: ETHANOL, GLYCEROL, Ganglioside-induced differentiation-associated protein 1, ...
Authors:Nguyen, G.T.T, Sutinen, A, Kursula, P.
Deposit date:2020-09-26
Release date:2021-02-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Complete Dimeric Human GDAP1 Core Domain Provides Insights into Ligand Binding and Clustering of Disease Mutations.
Front Mol Biosci, 7, 2020
4C7B
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BU of 4c7b by Molmil
Complex of human Sirt3 with Bromo-Resveratrol and Fluor-De-Lys peptide
Descriptor: 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C.
Deposit date:2013-09-20
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Sirt3 Complexes with 4'-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism.
Chem.Biol., 20, 2013
4BN4
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BU of 4bn4 by Molmil
Structure of human SIRT3 in complex with ADP-ribose
Descriptor: 2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL, ...
Authors:Nguyen, G.T.T, Schaefer, S, Gertz, M, Weyand, M, Steegborn, C.
Deposit date:2013-05-13
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of Human Sirtuin 3 Complexes with Adp-Ribose and with Carba-Nad+ and Srt1720: Binding Details and Inhibition Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
4C78
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BU of 4c78 by Molmil
Complex of human Sirt3 with Bromo-Resveratrol and ACS2 peptide
Descriptor: 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ...
Authors:Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C.
Deposit date:2013-09-19
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Sirt3 Complexes with 4'-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism.
Chem.Biol., 20, 2013
4BN5
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BU of 4bn5 by Molmil
Structure of human SIRT3 in complex with SRT1720 inhibitor
Descriptor: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLYCEROL, N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide, ...
Authors:Nguyen, G.T.T, Schaefer, S, Gertz, M, Weyand, M, Steegborn, C.
Deposit date:2013-05-13
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structures of Human Sirtuin 3 Complexes with Adp-Ribose and with Carba-Nad+ and Srt1720: Binding Details and Inhibition Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
3HK5
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BU of 3hk5 by Molmil
Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Arabinarate
Descriptor: CARBONATE ION, CHLORIDE ION, D-arabinaric acid, ...
Authors:Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C.
Deposit date:2009-05-22
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
3HK8
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BU of 3hk8 by Molmil
Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Arabinohydroxamate
Descriptor: CARBONATE ION, CHLORIDE ION, D-arabinohydroxamic acid, ...
Authors:Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C.
Deposit date:2009-05-22
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
3HKA
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BU of 3hka by Molmil
Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Fructuronate
Descriptor: CARBONATE ION, CHLORIDE ION, D-fructuronic acid, ...
Authors:Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C.
Deposit date:2009-05-22
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
2IPK
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BU of 2ipk by Molmil
Crystal Structure of the MHC Class II Molecule HLA-DR1 in Complex with the Fluorogenic Peptide, AcPKXVKQNTLKLAT (X=3-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-L-alanine) and the Superantigen, SEC3 Variant 3B2
Descriptor: Enterotoxin type C-3, HA related Fluorogenic Peptide, AcPKXVKQNTLKLAT (X=3-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-L-alanine), ...
Authors:Nguyen, T.T, Stern, L.J.
Deposit date:2006-10-12
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fluorogenic probes for monitoring peptide binding to class II MHC proteins in living cells.
Nat.Chem.Biol., 3, 2007
3TIE
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BU of 3tie by Molmil
Crystal structure of the vaccinia derived peptide A11R in complex with the murine MHC CLASS I H-2 KB
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
Authors:Nguyen, T.T, Shen, Z.T, Stern, L.J.
Deposit date:2011-08-20
Release date:2012-08-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Disparate epitopes mediating protective heterologous immunity to unrelated viruses share peptide-MHC structural features recognized by cross-reactive T cells.
J.Immunol., 191, 2013
3TID
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BU of 3tid by Molmil
Crystal structure of the LCMV derived peptide GP34 in complex with the murine mhc class I H-2 Kb
Descriptor: ACETATE ION, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Nguyen, T.T, Shen, Z.T, Stern, L.J.
Deposit date:2011-08-20
Release date:2012-08-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Disparate epitopes mediating protective heterologous immunity to unrelated viruses share peptide-MHC structural features recognized by cross-reactive T cells.
J.Immunol., 191, 2013
3HK9
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BU of 3hk9 by Molmil
Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Glucuronate
Descriptor: CARBONATE ION, CHLORIDE ION, D-glucuronic acid, ...
Authors:Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C.
Deposit date:2009-05-22
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
3HK7
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BU of 3hk7 by Molmil
Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Arabinarate, monoclinic crystal form
Descriptor: CARBONATE ION, CHLORIDE ION, D-arabinaric acid, ...
Authors:Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C.
Deposit date:2009-05-22
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
3ITC
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BU of 3itc by Molmil
Crystal structure of Sco3058 with bound citrate and glycerol
Descriptor: CITRIC ACID, GLYCEROL, ZINC ION, ...
Authors:Nguyen, T.T, Cummings, J.A, Tsai, C.-L, Barondeau, D.P, Raushel, F.M.
Deposit date:2009-08-28
Release date:2010-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase
Biochemistry, 49, 2010
7B2G
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BU of 7b2g by Molmil
Crystal structure of R120Q GDAP1 mutant
Descriptor: GLYCEROL, Ganglioside-induced differentiation-associated protein 1
Authors:Nguyen, G.T.T, Sutinen, A, Kursula, P.
Deposit date:2020-11-26
Release date:2021-12-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Conserved intramolecular networks in GDAP1 are closely connected to CMT-linked mutations and protein stability.
Plos One, 18, 2023
3EUV
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BU of 3euv by Molmil
Crystal structure of FTase(ALPHA-subunit; BETA-subunit DELTA C10, W102T, Y154T) in complex with BiotinGPP
Descriptor: (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ...
Authors:Guo, Z, Nguyen, U.T.T, Delon, C, Bon, R.S, Blankenfeldt, W, Goody, R.S, Waldmann, H, Wolters, D, Alexandrov, K.
Deposit date:2008-10-11
Release date:2009-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Analysis of the eukaryotic prenylome by isoprenoid affinity tagging
Nat.Chem.Biol., 5, 2009
3EU5
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BU of 3eu5 by Molmil
Crystal structure of FTase(ALPHA-subunit; BETA-subunit DELTA C10) in complex with BiotinGPP
Descriptor: (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ...
Authors:Guo, Z, Nguyen, U.T.T, Delon, C, Bon, R.S, Blankenfeldt, W, Goody, R.S, Waldmann, H, Wolters, D, Alexandrov, K.
Deposit date:2008-10-09
Release date:2009-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Analysis of the eukaryotic prenylome by isoprenoid affinity tagging
Nat.Chem.Biol., 5, 2009
8SZJ
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BU of 8szj by Molmil
Human glutaminase C (Y466W) with L-Gln and Pi, filamentous form
Descriptor: GLUTAMINE, Glutaminase kidney isoform, mitochondrial, ...
Authors:Feng, S, Aplin, C, Nguyen, T.-T.T, Milano, S.K, Cerione, R.A.
Deposit date:2023-05-29
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Filament formation drives catalysis by glutaminase enzymes important in cancer progression.
Nat Commun, 15, 2024
8T0Z
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BU of 8t0z by Molmil
Human liver-type glutaminase (K253A) with L-Gln, filamentous form
Descriptor: GLUTAMINE, Glutaminase liver isoform, mitochondrial
Authors:Feng, S, Aplin, C, Nguyen, T.-T.T, Milano, S.K, Cerione, R.A.
Deposit date:2023-06-01
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Filament formation drives catalysis by glutaminase enzymes important in cancer progression.
Nat Commun, 15, 2024

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