7MNG
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![BU of 7mng by Molmil](/molmil-images/mine/7mng) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy) | Descriptor: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2021-04-30 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7MHJ
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![BU of 7mhj by Molmil](/molmil-images/mine/7mhj) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K and High Humidity | Descriptor: | 3C-like proteinase, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.0005 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHO
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![BU of 7mho by Molmil](/molmil-images/mine/7mho) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ) Iucrj, 9, 2022
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7MHH
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![BU of 7mhh by Molmil](/molmil-images/mine/7mhh) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 277 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1908 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHI
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![BU of 7mhi by Molmil](/molmil-images/mine/7mhi) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHQ
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![BU of 7mhq by Molmil](/molmil-images/mine/7mhq) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 310 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9601 Å) | Cite: | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ) Iucrj, 9, 2022
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7MHP
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![BU of 7mhp by Molmil](/molmil-images/mine/7mhp) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K at high humidity | Descriptor: | 3C-like proteinase, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.0005 Å) | Cite: | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ) Iucrj, 9, 2022
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3TH2
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![BU of 3th2 by Molmil](/molmil-images/mine/3th2) | Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ | Descriptor: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Vadivel, K, Agah, S, Cascio, D, Padmanabhan, K, Bajaj, S.P. | Deposit date: | 2011-08-18 | Release date: | 2012-08-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla)
Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ To be Published
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3TBW
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![BU of 3tbw by Molmil](/molmil-images/mine/3tbw) | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (A2G, V3P, Y4S) | Descriptor: | Beta-2-microglobulin, GLYCOPROTEIN GPC, H-2 class I histocompatibility antigen, ... | Authors: | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | Deposit date: | 2011-08-08 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition To be Published
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7KQY
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![BU of 7kqy by Molmil](/molmil-images/mine/7kqy) | Crystal Structure and Characterization of Human Heavy-Chain only Antibodies reveals a novel, stable dimeric structure similar to Monoclonal Antibodies | Descriptor: | Heavy-Chain only Human Antibodies | Authors: | Bahmanjah, S, Mieczkowski, C, Yu, Y, Baker, J, Raghunathan, G, Tomazela, D, Hsieh, M, Mccoy, M, Strickland, C, Fayadat-Dilman, L. | Deposit date: | 2020-11-18 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.913 Å) | Cite: | Crystal Structure and Characterization of Human Heavy-Chain Only Antibodies Reveals a Novel, Stable Dimeric Structure Similar to Monoclonal Antibodies. Antibodies, 9, 2020
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3TG2
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![BU of 3tg2 by Molmil](/molmil-images/mine/3tg2) | Crystal structure of the ISC domain of VibB in complex with isochorismate | Descriptor: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, TRIETHYLENE GLYCOL, Vibriobactin-specific isochorismatase | Authors: | Liu, S, Zhang, C, Niu, B, Li, N, Liu, X, Liu, M, Wei, T, Zhu, D, Huang, Y, Xu, S, Gu, L. | Deposit date: | 2011-08-17 | Release date: | 2012-08-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | Structural insight into the ISC domain of VibB from Vibrio cholerae at atomic resolution: a snapshot just before the enzymatic reaction Acta Crystallogr.,Sect.D, 68, 2012
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7KIP
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![BU of 7kip by Molmil](/molmil-images/mine/7kip) | A 3.4 Angstrom cryo-EM structure of the human coronavirus spike trimer computationally derived from vitrified NL63 virus particles | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Zhang, K, Li, S, Pintilie, G, Chmielewski, D, Schmid, M, Simmons, G, Jin, J, Chiu, W. | Deposit date: | 2020-10-24 | Release date: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | A 3.4- angstrom cryo-EM structure of the human coronavirus spike trimer computationally derived from vitrified NL63 virus particles. Biorxiv, 2020
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7KVA
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![BU of 7kva by Molmil](/molmil-images/mine/7kva) | Structure of West Nile virus (Kunjin) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Matrix protein M | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | Deposit date: | 2020-11-27 | Release date: | 2020-12-23 | Last modified: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses. Nat Commun, 12, 2021
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7KV9
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![BU of 7kv9 by Molmil](/molmil-images/mine/7kv9) | Chimeric flavivirus between Binjari virus and West Nile (Kunjin) virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Matrix protein M, envelope protein E | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | Deposit date: | 2020-11-27 | Release date: | 2020-12-23 | Last modified: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses. Nat Commun, 12, 2021
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7KWJ
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![BU of 7kwj by Molmil](/molmil-images/mine/7kwj) | Spermidine N-acetyltransferase SpeG K23-Q34 chimera from Vibrio cholerae and hSSAT | Descriptor: | Spermidine N(1)-acetyltransferase | Authors: | Le, V.T.B, Tsimbalyuk, S, Lim, E.Q, Solis, A, Gawat, D, Boeck, P, Renolo, R, Forwood, J.K, Kuhn, M.L. | Deposit date: | 2020-12-01 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | The Vibrio cholerae SpeG Spermidine/Spermine N -Acetyltransferase Allosteric Loop and beta 6-beta 7 Structural Elements Are Critical for Kinetic Activity. Front Mol Biosci, 8, 2021
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3U26
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![BU of 3u26 by Molmil](/molmil-images/mine/3u26) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR48 | Descriptor: | PF00702 domain protein | Authors: | Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-30 | Release date: | 2011-11-23 | Last modified: | 2022-03-02 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction. Acs Chem.Biol., 8, 2013
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3U2Y
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![BU of 3u2y by Molmil](/molmil-images/mine/3u2y) | ATP synthase c10 ring in proton-unlocked conformation at pH 6.1 | Descriptor: | ATP synthase subunit C, mitochondrial | Authors: | Symersky, J, Pagadala, V, Osowski, D, Krah, A, Meier, T, Faraldo-Gomez, J, Mueller, D.M. | Deposit date: | 2011-10-04 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the c(10) ring of the yeast mitochondrial ATP synthase in the open conformation. Nat.Struct.Mol.Biol., 19, 2012
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3TKZ
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![BU of 3tkz by Molmil](/molmil-images/mine/3tkz) | Structure of the SHP-2 N-SH2 domain in a 1:2 complex with RVIpYFVPLNR peptide | Descriptor: | PROTEIN (RVIpYFVPLNR peptide), Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D. | Deposit date: | 2011-08-29 | Release date: | 2011-10-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain. Biochemistry, 50, 2011
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7KV8
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![BU of 7kv8 by Molmil](/molmil-images/mine/7kv8) | Chimeric flavivirus between Binjari virus and Dengue virus serotype-2 | Descriptor: | (2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ... | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | Deposit date: | 2020-11-27 | Release date: | 2020-12-23 | Last modified: | 2021-11-24 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses. Nat Commun, 12, 2021
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7MRR
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![BU of 7mrr by Molmil](/molmil-images/mine/7mrr) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2021-05-08 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7MQV
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![BU of 7mqv by Molmil](/molmil-images/mine/7mqv) | Crystal structure of truncated (ACT domain removed) prephenate dehydrogenase tyrA from Bacillus anthracis in complex with NAD | Descriptor: | CHLORIDE ION, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Shabalin, I.G, Gritsunov, A, Gabryelska, A, Czub, M.P, Grabowski, M, Cooper, D.R, Christendat, D, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-05-06 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of Bacillus anthracis prephenate dehydrogenase identified an ACT regulatory domain and a novel mode of metabolic regulation for proteins within the prephenate dehydrogenase family of enzyme to be published
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7M53
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![BU of 7m53 by Molmil](/molmil-images/mine/7m53) | B6 Fab fragment bound to the SARS-CoV/SARS-CoV-2 spike stem helix peptide | Descriptor: | B6 antigen-binding (Fab) fragment heavy chain, B6 antigen-binding (Fab) fragment light chain, GLYCEROL, ... | Authors: | Sauer, M.M, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2021-03-22 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis for broad coronavirus neutralization. Nat.Struct.Mol.Biol., 28, 2021
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7M51
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![BU of 7m51 by Molmil](/molmil-images/mine/7m51) | B6 Fab fragment bound to the OC43 spike stem helix peptide | Descriptor: | B6 antigen-binding (Fab) fragment heavy chain, B6 antigen-binding (Fab) fragment light chain, GLYCEROL, ... | Authors: | Sauer, M.M, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2021-03-22 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for broad coronavirus neutralization. Nat.Struct.Mol.Biol., 28, 2021
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7M55
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![BU of 7m55 by Molmil](/molmil-images/mine/7m55) | B6 Fab fragment bound to the MERS-CoV spike stem helix peptide | Descriptor: | B6 antigen binding fragment (Fab) heavy chain, B6 antigen binding fragment (Fab) light chain, GLYCEROL, ... | Authors: | Sauer, M.M, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2021-03-22 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis for broad coronavirus neutralization. Nat.Struct.Mol.Biol., 28, 2021
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7M5E
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![BU of 7m5e by Molmil](/molmil-images/mine/7m5e) | |