2Z5D
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![BU of 2z5d by Molmil](/molmil-images/mine/2z5d) | Human ubiquitin-conjugating enzyme E2 H | Descriptor: | SODIUM ION, Ubiquitin-conjugating enzyme E2 H | Authors: | Bochkarev, A, Cui, H, Walker, J.R, Newman, E.M, Mackenzie, F, Battaile, K.P, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-06 | Release date: | 2007-10-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. MOL.CELL PROTEOMICS, 11, 2012
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3RV8
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![BU of 3rv8 by Molmil](/molmil-images/mine/3rv8) | Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Cyclopropyl R-Group | Descriptor: | 3-{[(E)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid, 3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis Biochemistry, 51, 2012
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3RV6
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![BU of 3rv6 by Molmil](/molmil-images/mine/3rv6) | Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Phenyl R-Group | Descriptor: | 3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid, 3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI, ... | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis Biochemistry, 51, 2012
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3RV7
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![BU of 3rv7 by Molmil](/molmil-images/mine/3rv7) | Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Isopropyl R-Group | Descriptor: | 3-{[(1Z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis Biochemistry, 51, 2012
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6W7G
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![BU of 6w7g by Molmil](/molmil-images/mine/6w7g) | Structure of EED bound to inhibitor 1056 | Descriptor: | 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020
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8SUD
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![BU of 8sud by Molmil](/molmil-images/mine/8sud) | JC Polyomavirus LTA NLS bound to importin alpha 2 | Descriptor: | Importin subunit alpha-1, Large T antigen | Authors: | Cross, E.M, Forwood, J.K, Alvisi, G. | Deposit date: | 2023-05-12 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals. Protein Sci., 33, 2024
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6WQV
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![BU of 6wqv by Molmil](/molmil-images/mine/6wqv) | GH5-4 broad specificity endoglucanase from Ruminococcus champanellensis with bound cellotriose | Descriptor: | 1,2-ETHANEDIOL, Endoglucanase, NITRATE ION, ... | Authors: | Bianchetti, C.M, Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | Deposit date: | 2020-04-29 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis. J.Biol.Chem., 295, 2020
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6WQY
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![BU of 6wqy by Molmil](/molmil-images/mine/6wqy) | GH5-4 broad specificity endoglucanase from Bacteroides salanitronis | Descriptor: | CHLORIDE ION, Cellulase, MAGNESIUM ION | Authors: | Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | Deposit date: | 2020-04-29 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis. J.Biol.Chem., 295, 2020
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3QRP
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![BU of 3qrp by Molmil](/molmil-images/mine/3qrp) | Structure of Thermus Thermophilus Cse3 bound to an RNA representing a product mimic complex | Descriptor: | Putative uncharacterized protein TTHB192, RNA (5'-R(*GP*UP*CP*CP*CP*CP*AP*CP*(PGP))-3'), RNA (5'-R(P*(U5P)P*GP*UP*GP*GP*GP*G)-3'), ... | Authors: | Schellenberg, M.J, Gesner, E.M, Garside, E.L, MacMillan, A.M. | Deposit date: | 2011-02-18 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Recognition and maturation of effector RNAs in a CRISPR interference pathway. Nat.Struct.Mol.Biol., 18, 2011
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8EHK
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![BU of 8ehk by Molmil](/molmil-images/mine/8ehk) | |
8EHM
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![BU of 8ehm by Molmil](/molmil-images/mine/8ehm) | |
3AU0
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![BU of 3au0 by Molmil](/molmil-images/mine/3au0) | Structural and biochemical characterization of ClfB:ligand interactions | Descriptor: | Clumping factor B, MAGNESIUM ION | Authors: | Ganesh, V.K, Barbu, E.M, Deivanayagam, C.C.S, Le, B, Anderson, A.S, Matsuka, Y, Lin, S.L, Foster, T.F, Narayana, S.V.L, Hook, M. | Deposit date: | 2011-01-28 | Release date: | 2011-05-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural and biochemical characterization of ClfB:ligand interactions To be published
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3RV9
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![BU of 3rv9 by Molmil](/molmil-images/mine/3rv9) | Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Ethyl R-Group | Descriptor: | 3-{[(1Z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis Biochemistry, 51, 2012
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6VLA
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![BU of 6vla by Molmil](/molmil-images/mine/6vla) | Hs05 - Intragenic antimicrobial peptide | Descriptor: | Intragenic antimicrobial peptide | Authors: | Santos, M.A, Silva, E.M.C, Brand, G.D, Oliveira, A.L. | Deposit date: | 2020-01-23 | Release date: | 2020-12-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Characterization of novel human Intragenic Antimicrobial Peptides, incorporation and release studies from ureasil-polyether hybrid matrix Materials Science and Engineering C, Materials for Biological Applications, 119, 2020
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3C0L
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![BU of 3c0l by Molmil](/molmil-images/mine/3c0l) | UVDE K229R | Descriptor: | UV endonuclease | Authors: | Meulenbroek, E.M, Paspaleva, K, Thomassen, E.A.J, Abrahams, J.P, Goosen, N, Pannu, N.S. | Deposit date: | 2008-01-21 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Involvement of a carboxylated lysine in UV damage endonuclease Protein Sci., 18, 2009
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3C0S
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![BU of 3c0s by Molmil](/molmil-images/mine/3c0s) | UVDE 3 metals | Descriptor: | MANGANESE (II) ION, SODIUM ION, UV endonuclease | Authors: | Meulenbroek, E.M, Paspaleva, K, Thomassen, E.A.J, Abrahams, J.P, Goosen, N, Pannu, N.S. | Deposit date: | 2008-01-21 | Release date: | 2008-12-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Involvement of a carboxylated lysine in UV damage endonuclease Protein Sci., 18, 2009
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8DFN
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![BU of 8dfn by Molmil](/molmil-images/mine/8dfn) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H164N Mutant | Descriptor: | 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-22 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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3SB2
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![BU of 3sb2 by Molmil](/molmil-images/mine/3sb2) | Crystal Structure of the RNA chaperone Hfq from Herbaspirillum seropedicae SMR1 | Descriptor: | GLYCEROL, Protein hfq | Authors: | Kadowaki, M.A.S, Iulek, J, Barbosa, J.A.R.G, Pedrosa, F.O, Souza, E.M, Chubatsu, L.S, Monteiro, R.A, Steffens, M.B.R. | Deposit date: | 2011-06-03 | Release date: | 2012-01-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6301 Å) | Cite: | Structural characterization of the RNA chaperone Hfq from the nitrogen-fixing bacterium Herbaspirillum seropedicae SmR1. Biochim.Biophys.Acta, 1824, 2011
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8D4K
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![BU of 8d4k by Molmil](/molmil-images/mine/8d4k) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant in Complex with Inhibitor GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-02 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir. Biorxiv, 2022
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8D4M
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![BU of 8d4m by Molmil](/molmil-images/mine/8d4m) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant in Complex with Inhibitor GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-02 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir. Biorxiv, 2022
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6WPR
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![BU of 6wpr by Molmil](/molmil-images/mine/6wpr) | |
8DFE
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![BU of 8dfe by Molmil](/molmil-images/mine/8dfe) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant | Descriptor: | 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-22 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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8D4J
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![BU of 8d4j by Molmil](/molmil-images/mine/8d4j) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant | Descriptor: | 3C-like proteinase nsp5, GLYCEROL | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-02 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir. Biorxiv, 2022
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8DD9
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![BU of 8dd9 by Molmil](/molmil-images/mine/8dd9) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant in Complex with Inhibitor GC376 | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-17 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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6WQP
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![BU of 6wqp by Molmil](/molmil-images/mine/6wqp) | GH5-4 broad specificity endoglucanase from Ruminococcus champanellensis | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, Endoglucanase, ... | Authors: | Bianchetti, C.M, Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | Deposit date: | 2020-04-29 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis. J.Biol.Chem., 295, 2020
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