1PZK
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![BU of 1pzk by Molmil](/molmil-images/mine/1pzk) | Cholera Toxin B-Pentamer Complexed With N-Acyl Phenyl Galactoside 9h | Descriptor: | Cholera Toxin B Subunit, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE | Authors: | Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J. | Deposit date: | 2003-07-11 | Release date: | 2004-03-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | 3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies Bioorg.Med.Chem., 12, 2004
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4I7R
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![BU of 4i7r by Molmil](/molmil-images/mine/4i7r) | |
4NDJ
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1QVY
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![BU of 1qvy by Molmil](/molmil-images/mine/1qvy) | Crystal structure of RhoGDI K(199,200)R double mutant | Descriptor: | Rho GDP-dissociation inhibitor 1, SULFATE ION | Authors: | Czepas, J, Devedjiev, Y, Krowarsh, D, Derewenda, U, Derewenda, Z.S. | Deposit date: | 2003-08-29 | Release date: | 2004-02-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The impact of Lys-->Arg surface mutations on the crystallization of the globular domain of RhoGDI. Acta Crystallogr.,Sect.D, 60, 2004
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1QYG
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![BU of 1qyg by Molmil](/molmil-images/mine/1qyg) | ANTI-COCAINE ANTIBODY M82G2 COMPLEXED WITH BENZOYLECGONINE | Descriptor: | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, FAB M82G2, HEAVY CHAIN, ... | Authors: | Pozharski, E, Hewagama, A, Shanafelt, A, Petsko, G, Ringe, D. | Deposit date: | 2003-09-10 | Release date: | 2003-09-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Diversity in hapten recognition: structural study of an anti-cocaine antibody M82G2. J.Mol.Biol., 349, 2005
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4I7T
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4I7O
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7K6E
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![BU of 7k6e by Molmil](/molmil-images/mine/7k6e) | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification) | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-19 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.63 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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7K9A
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![BU of 7k9a by Molmil](/molmil-images/mine/7k9a) | Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-hydroxy-N-[(1R)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2020-09-29 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay. Bioorg.Med.Chem., 28, 2020
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6AMJ
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![BU of 6amj by Molmil](/molmil-images/mine/6amj) | CAT192 Fab Wild Type | Descriptor: | CAT192 Fab heavy chain, CAT192 Fab light chain, DI(HYDROXYETHYL)ETHER, ... | Authors: | Lord, D.M, Wei, R.R. | Deposit date: | 2017-08-09 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody. MAbs, 10, 2018
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6AFR
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![BU of 6afr by Molmil](/molmil-images/mine/6afr) | Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol | Descriptor: | 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4 | Authors: | Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R. | Deposit date: | 2018-08-08 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors Eur J Med Chem, 163, 2018
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7K09
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![BU of 7k09 by Molmil](/molmil-images/mine/7k09) | Puromycin N-acetyltransferase in complex with acetyl-CoA | Descriptor: | ACETYL COENZYME *A, Puromycin N-acetyltransferase | Authors: | Caputo, A.T, Newman, J, Adams, T.E, Peat, T.S. | Deposit date: | 2020-09-03 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.313 Å) | Cite: | Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins. Sci Rep, 11, 2021
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7K0A
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![BU of 7k0a by Molmil](/molmil-images/mine/7k0a) | Puromycin N-acetyltransferase in complex with acetylated puromycin and CoA | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, DI(HYDROXYETHYL)ETHER, ... | Authors: | Peat, T.S, Caputo, A.T, Newman, J, Adams, T.E. | Deposit date: | 2020-09-03 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins. Sci Rep, 11, 2021
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6AO0
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![BU of 6ao0 by Molmil](/molmil-images/mine/6ao0) | CAT192 Fab Insertion Mutant H2/L2 | Descriptor: | CAT192 Fab Heavy chain, CAT192 Fab Light chain, SULFATE ION | Authors: | Lord, D.M, Wei, R.R. | Deposit date: | 2017-08-15 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody. MAbs, 10, 2018
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6AVC
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2MJT
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![BU of 2mjt by Molmil](/molmil-images/mine/2mjt) | Anoplin R5F T8W in DPC micelles | Descriptor: | Anoplin, UNKNOWN ATOM OR ION, dodecyl 2-(trimethylammonio)ethyl phosphate | Authors: | Uggerhoej, L, Poulsen, T.J, Wimmer, R. | Deposit date: | 2014-01-16 | Release date: | 2014-12-03 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Rational Design of Alpha-Helical Antimicrobial Peptides: Do's and Don'ts. Chembiochem, 16, 2015
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6AV8
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6B3M
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![BU of 6b3m by Molmil](/molmil-images/mine/6b3m) | The crystal structure of a broadly-reactive human anti-hemagglutinin stalk antibody (70-1F02) in complex with H5 hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 70-1F02 Fab Heavy Chain, ... | Authors: | Shore, D.A, Yang, H, Stevens, J. | Deposit date: | 2017-09-22 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.92 Å) | Cite: | Broadly Reactive Human Monoclonal Antibodies Elicited following Pandemic H1N1 Influenza Virus Exposure Protect Mice against Highly Pathogenic H5N1 Challenge. J. Virol., 92, 2018
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7KMG
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![BU of 7kmg by Molmil](/molmil-images/mine/7kmg) | LY-CoV555 neutralizing antibody against SARS-CoV-2 | Descriptor: | GLYCEROL, LY-CoV555 Fab heavy chain, LY-CoV555 Fab light chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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6ANP
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![BU of 6anp by Molmil](/molmil-images/mine/6anp) | CAT192 Fab Insertion Mutant H5/L0 | Descriptor: | CAT192 Fab Heavy chain, CAT192 Fab Light chain | Authors: | Lord, D.M, Wei, R.R. | Deposit date: | 2017-08-14 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody. MAbs, 10, 2018
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6AU7
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![BU of 6au7 by Molmil](/molmil-images/mine/6au7) | Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox | Descriptor: | GLYCEROL, Potassium channel toxin gamma-KTx 2.2, SULFATE ION | Authors: | Gewe, M.M, Rupert, P, Strong, R.K. | Deposit date: | 2017-08-30 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Screening, large-scale production and structure-based classification of cystine-dense peptides. Nat. Struct. Mol. Biol., 25, 2018
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7KMH
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![BU of 7kmh by Molmil](/molmil-images/mine/7kmh) | LY-CoV488 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV488 Fab heavy chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Boyles, J.S, Dickinson, C.D, Coleman, K.A. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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6AXL
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![BU of 6axl by Molmil](/molmil-images/mine/6axl) | Crystal structure of Fab317 complex | Descriptor: | Fab317 heavy chain, Fab317 light chains, Peptide ACE-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-NH2 | Authors: | Oyen, D, Wilson, I.A. | Deposit date: | 2017-09-07 | Release date: | 2017-11-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for antibody recognition of the NANP repeats in Plasmodium falciparum circumsporozoite protein. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6AVA
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7KMI
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![BU of 7kmi by Molmil](/molmil-images/mine/7kmi) | LY-CoV481 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV481 Fab heavy chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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