7QDN
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7THM
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![BU of 7thm by Molmil](/molmil-images/mine/7thm) | SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9 | Descriptor: | MANGANESE (II) ION, Non-structural protein 7, Non-structural protein 8, ... | Authors: | Osinski, A, Tagliabracci, V.S, Chen, Z, Li, Y. | Deposit date: | 2022-01-11 | Release date: | 2022-03-16 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | The mechanism of RNA capping by SARS-CoV-2. Nature, 609, 2022
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1AZF
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![BU of 1azf by Molmil](/molmil-images/mine/1azf) | CHICKEN EGG WHITE LYSOZYME CRYSTAL GROWN IN BROMIDE SOLUTION | Descriptor: | BROMIDE ION, LYSOZYME | Authors: | Lim, K, Nadarajah, A, Forsythe, E.L, Pusey, M.L. | Deposit date: | 1997-11-17 | Release date: | 1998-02-25 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Locations of bromide ions in tetragonal lysozyme crystals. Acta Crystallogr.,Sect.D, 54, 1998
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3D2Z
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![BU of 3d2z by Molmil](/molmil-images/mine/3d2z) | Complex of the N-acetylmuramyl-L-alanine amidase AmiD from E.coli with the product L-Ala-D-gamma-Glu-L-Lys | Descriptor: | CHLORIDE ION, L-Ala-D-gamma-Glu-L-Lys peptide, N-acetylmuramoyl-L-alanine amidase amiD, ... | Authors: | Kerff, F, Petrella, S, Herman, R, Sauvage, E, Mercier, F, Luxen, A, Frere, J.M, Joris, B, Charlier, P. | Deposit date: | 2008-05-09 | Release date: | 2009-06-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Specific Structural Features of the N-Acetylmuramoyl-l-Alanine Amidase AmiD from Escherichia coli and Mechanistic Implications for Enzymes of This Family. J.Mol.Biol., 397, 2010
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4RD8
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![BU of 4rd8 by Molmil](/molmil-images/mine/4rd8) | The crystal structure of a functionally-unknown protein from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 | Descriptor: | Uncharacterized protein | Authors: | Tan, K, Xu, X, Cui, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-09-18 | Release date: | 2014-10-01 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The crystal structure of a functionally-unknown protein from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 To be Published
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4RGJ
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![BU of 4rgj by Molmil](/molmil-images/mine/4rgj) | Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500 | Descriptor: | Calcium-dependent protein kinase 4 | Authors: | Wernimont, A.K, Walker, J.R, Hutchinson, A, Seitova, A, He, H, Loppnau, P, Neculai, M, Amani, M, Lin, Y.H, Ravichandran, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | Deposit date: | 2014-09-30 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500 To be Published
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1B5G
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![BU of 1b5g by Molmil](/molmil-images/mine/1b5g) | HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN | Descriptor: | ALPHA-THROMBIN, HIRUGEN, SODIUM ION, ... | Authors: | St Charles, R, Tulinsky, A, Kahn, M. | Deposit date: | 1998-03-05 | Release date: | 1998-05-27 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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4RH0
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![BU of 4rh0 by Molmil](/molmil-images/mine/4rh0) | Spore photoproduct lyase C140A/S76C mutant with bound AdoMet | Descriptor: | 1,2-ETHANEDIOL, IRON/SULFUR CLUSTER, SULFATE ION, ... | Authors: | Benjdia, A, Heil, K, Winkler, A, Carell, T, Schlichting, I. | Deposit date: | 2014-10-01 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rescuing DNA repair activity by rewiring the H-atom transfer pathway in the radical SAM enzyme, spore photoproduct lyase. Chem.Commun.(Camb.), 50, 2014
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4RH1
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![BU of 4rh1 by Molmil](/molmil-images/mine/4rh1) | Spore photoproduct lyase C140A/S76C mutant with bound AdoMet and dinucleoside spore photoproduct | Descriptor: | 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione, IRON/SULFUR CLUSTER, SULFATE ION, ... | Authors: | Benjdia, A, Heil, K, Winkler, A, Carell, T, Schlichting, I. | Deposit date: | 2014-10-01 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Rescuing DNA repair activity by rewiring the H-atom transfer pathway in the radical SAM enzyme, spore photoproduct lyase. Chem.Commun.(Camb.), 50, 2014
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4RHA
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![BU of 4rha by Molmil](/molmil-images/mine/4rha) | Structure of the C-terminal domain of outer-membrane protein OmpA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, Outer membrane protein A, ... | Authors: | Cuff, M.E, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-10-01 | Release date: | 2014-10-29 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights into PG-binding, conformational change, and dimerization of the OmpA C-terminal domains from Salmonella enterica serovar Typhimurium and Borrelia burgdorferi. Protein Sci., 26, 2017
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7TIV
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![BU of 7tiv by Molmil](/molmil-images/mine/7tiv) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48 | Descriptor: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIU
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![BU of 7tiu by Molmil](/molmil-images/mine/7tiu) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB46 | Descriptor: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION, ... | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIY
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![BU of 7tiy by Molmil](/molmil-images/mine/7tiy) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-48 | Descriptor: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIZ
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![BU of 7tiz by Molmil](/molmil-images/mine/7tiz) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-63 | Descriptor: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7W5D
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7TIW
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![BU of 7tiw by Molmil](/molmil-images/mine/7tiw) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB54 | Descriptor: | (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, PHOSPHATE ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIA
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![BU of 7tia by Molmil](/molmil-images/mine/7tia) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-14 | Descriptor: | 3C-like proteinase nsp5, THIOCYANATE ION, benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-13 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIX
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![BU of 7tix by Molmil](/molmil-images/mine/7tix) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB56 | Descriptor: | 3C-like proteinase nsp5, MAGNESIUM ION, N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7CBD
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![BU of 7cbd by Molmil](/molmil-images/mine/7cbd) | Catalytic domain of Cellulomonas fimi Cel6B | Descriptor: | Exoglucanase A | Authors: | Nakamura, A, Ishiwata, D, Visootsat, A, Uchiyama, T, Mizutani, K, Kaneko, S, Murata, T, Igarashi, K, Iino, R. | Deposit date: | 2020-06-12 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Domain architecture divergence leads to functional divergence in binding and catalytic domains of bacterial and fungal cellobiohydrolases. J.Biol.Chem., 295, 2020
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7TJ0
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![BU of 7tj0 by Molmil](/molmil-images/mine/7tj0) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ACETATE ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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1AVD
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![BU of 1avd by Molmil](/molmil-images/mine/1avd) | THREE-DIMENSIONAL STRUCTURE OF THE TETRAGONAL CRYSTAL FORM OF EGG-WHITE AVIDIN IN ITS FUNCTIONAL COMPLEX WITH BIOTIN AT 2.7 ANGSTROMS RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AVIDIN, BIOTIN | Authors: | Pugliese, L, Coda, A, Malcovati, M, Bolognesi, M. | Deposit date: | 1993-03-05 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Three-dimensional structure of the tetragonal crystal form of egg-white avidin in its functional complex with biotin at 2.7 A resolution. J.Mol.Biol., 231, 1993
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1AWF
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![BU of 1awf by Molmil](/molmil-images/mine/1awf) | NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT | Descriptor: | ALPHA THROMBIN, HIRUGEN, R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER | Authors: | Jhoti, H, Cleasby, A, Wonacott, A. | Deposit date: | 1997-10-02 | Release date: | 1998-10-28 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies. Biochemistry, 37, 1998
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6U57
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![BU of 6u57 by Molmil](/molmil-images/mine/6u57) | |
3D2Y
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![BU of 3d2y by Molmil](/molmil-images/mine/3d2y) | Complex of the N-acetylmuramyl-L-alanine amidase AmiD from E.coli with the substrate anhydro-N-acetylmuramic acid-L-Ala-D-gamma-Glu-L-Lys | Descriptor: | Anhydro-N-acetylmuramic acid-L-Ala-D-gamma-Glu-L-Lys, GLYCEROL, N-acetylmuramoyl-L-alanine amidase amiD | Authors: | Kerff, F, Petrella, S, Herman, R, Sauvage, E, Mercier, F, Luxen, A, Frere, J.M, Joris, B, Charlier, P. | Deposit date: | 2008-05-09 | Release date: | 2009-06-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Specific Structural Features of the N-Acetylmuramoyl-l-Alanine Amidase AmiD from Escherichia coli and Mechanistic Implications for Enzymes of This Family. J.Mol.Biol., 397, 2010
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4RWA
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![BU of 4rwa by Molmil](/molmil-images/mine/4rwa) | Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide | Authors: | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2014-12-01 | Release date: | 2015-01-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Structural basis for bifunctional peptide recognition at human delta-opioid receptor. Nat.Struct.Mol.Biol., 22, 2015
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