3MDJ
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![BU of 3mdj by Molmil](/molmil-images/mine/3mdj) | 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
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2IPK
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![BU of 2ipk by Molmil](/molmil-images/mine/2ipk) | 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
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3TIE
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![BU of 3tie by Molmil](/molmil-images/mine/3tie) | 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
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3TID
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![BU of 3tid by Molmil](/molmil-images/mine/3tid) | 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
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3ISI
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![BU of 3isi by Molmil](/molmil-images/mine/3isi) | |
3ITC
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![BU of 3itc by Molmil](/molmil-images/mine/3itc) | 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
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7SBN
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![BU of 7sbn by Molmil](/molmil-images/mine/7sbn) | |
7SBM
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![BU of 7sbm by Molmil](/molmil-images/mine/7sbm) | 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
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7Q5C
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![BU of 7q5c by Molmil](/molmil-images/mine/7q5c) | 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
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7ALM
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![BU of 7alm by Molmil](/molmil-images/mine/7alm) | |
7AIA
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![BU of 7aia by Molmil](/molmil-images/mine/7aia) | 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
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7B2G
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![BU of 7b2g by Molmil](/molmil-images/mine/7b2g) | 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
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4HD8
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![BU of 4hd8 by Molmil](/molmil-images/mine/4hd8) | Crystal structure of human Sirt3 in complex with Fluor-de-Lys peptide and piceatannol | Descriptor: | Fluor-de-Lys peptide, ISOPROPYL ALCOHOL, NAD-dependent protein deacetylase sirtuin-3, ... | Authors: | Nguyen, G.T.T, Gertz, M, Steegborn, C. | Deposit date: | 2012-10-02 | Release date: | 2012-12-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A molecular mechanism for direct sirtuin activation by resveratrol. Plos One, 7, 2012
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4BVG
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![BU of 4bvg by Molmil](/molmil-images/mine/4bvg) | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH NATIVE ALKYLIMIDATE FORMED FROM ACETYL-LYSINE ACS2-PEPTIDE CRYSTALLIZED IN PRESENCE OF THE INHIBITOR EX-527 | Descriptor: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE, 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, ... | Authors: | Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C. | Deposit date: | 2013-06-25 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ex-527 inhibits Sirtuins by exploiting their unique NAD+-dependent deacetylation mechanism. Proc. Natl. Acad. Sci. U.S.A., 110, 2013
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4BN4
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![BU of 4bn4 by Molmil](/molmil-images/mine/4bn4) | 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
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4BN5
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![BU of 4bn5 by Molmil](/molmil-images/mine/4bn5) | 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
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4C7B
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![BU of 4c7b by Molmil](/molmil-images/mine/4c7b) | 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
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4C78
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![BU of 4c78 by Molmil](/molmil-images/mine/4c78) | 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
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8JCD
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![BU of 8jcd by Molmil](/molmil-images/mine/8jcd) | |
8JBX
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![BU of 8jbx by Molmil](/molmil-images/mine/8jbx) | |
3HK9
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![BU of 3hk9 by Molmil](/molmil-images/mine/3hk9) | 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
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3HK7
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![BU of 3hk7 by Molmil](/molmil-images/mine/3hk7) | 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
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3HK5
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![BU of 3hk5 by Molmil](/molmil-images/mine/3hk5) | 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
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3HK8
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![BU of 3hk8 by Molmil](/molmil-images/mine/3hk8) | 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
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3HKA
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![BU of 3hka by Molmil](/molmil-images/mine/3hka) | 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
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