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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3ISI
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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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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
 | | 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
 | | 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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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
 | | 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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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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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
 | | 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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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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7SBN
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8SZJ
 | | 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
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8T0Z
 | | 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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8SZL
 | | Human liver-type glutaminase (Apo form) | | Descriptor: | Glutaminase liver isoform, mitochondrial | | Authors: | Feng, S, Aplin, C, Nguyen, T.-T.T, Milano, S.K, Cerione, R.A. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Filament formation drives catalysis by glutaminase enzymes important in cancer progression.
Nat Commun, 15, 2024
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7AEG
 | | SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide | | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | | Deposit date: | 2020-09-17 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
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7AEH
 | | SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1 | | Descriptor: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | | Deposit date: | 2020-09-17 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
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7AJ0
 | | Crystal structure of PsFucS1 sulfatase from Pseudoalteromonas sp. | | Descriptor: | Arylsulfatase, CALCIUM ION, CHLORIDE ION | | Authors: | Roret, T, Mikkelsen, M.D, Czjzek, M, Meyer, A.S. | | Deposit date: | 2020-09-28 | | Release date: | 2021-09-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A novel thermostable prokaryotic fucoidan active sulfatase PsFucS1 with an unusual quaternary hexameric structure.
Sci Rep, 11, 2021
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8BPD
 | | Structural and Functional Characterization of the Novel Endo-alpha(1,4)-Fucoidanase Mef1 from the Marine Bacterium Muricauda eckloniae | | Descriptor: | (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Mikkelsen, M.D, Meyer, A.S, Morth, J.P. | | Deposit date: | 2022-11-16 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and functional characterization of the novel endo-alpha (1,4)-fucoidanase Mef1 from the marine bacterium Muricauda eckloniae.
Acta Crystallogr D Struct Biol, 79, 2023
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6V9K
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6VBJ
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6VU0
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7REN
 | | Room temperature serial crystal structure of Glutaminase C in complex with inhibitor UPGL-00004 | | Descriptor: | 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Milano, S.K, Finke, A, Cerione, R.A. | | Deposit date: | 2021-07-13 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography.
J.Biol.Chem., 298, 2022
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7RGG
 | | Room temperature serial crystal structure of Glutaminase C in complex with inhibitor BPTES | | Descriptor: | Glutaminase kidney isoform, mitochondrial 68 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide) | | Authors: | Milano, S.K, Finke, A, Cerione, R.A. | | Deposit date: | 2021-07-15 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography.
J.Biol.Chem., 298, 2022
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