3NPL
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![BU of 3npl by Molmil](/molmil-images/mine/3npl) | Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Ener, M, Lee, Y.-T, Goodin, D.B, Winkler, J.R, Gray, H.B, Cheruzel, L. | Deposit date: | 2010-06-28 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant To be Published
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6YYN
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![BU of 6yyn by Molmil](/molmil-images/mine/6yyn) | Structure of Cathepsin S in complex with Compound 14 | Descriptor: | CITRATE ANION, Cathepsin S, SULFATE ION, ... | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | Deposit date: | 2020-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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6YYO
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![BU of 6yyo by Molmil](/molmil-images/mine/6yyo) | Structure of Cathepsin S in complex with Compound 1 | Descriptor: | 1,2-ETHANEDIOL, 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, CITRATE ANION, ... | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | Deposit date: | 2020-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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6YYR
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![BU of 6yyr by Molmil](/molmil-images/mine/6yyr) | Structure of Cathepsin S in complex with Compound 20b | Descriptor: | (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide, 1,2-ETHANEDIOL, CITRATE ANION, ... | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | Deposit date: | 2020-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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6YYP
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![BU of 6yyp by Molmil](/molmil-images/mine/6yyp) | Structure of Cathepsin S in complex with Compound 2 | Descriptor: | 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine, ACETATE ION, Cathepsin S, ... | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | Deposit date: | 2020-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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6YYQ
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![BU of 6yyq by Molmil](/molmil-images/mine/6yyq) | Structure of Cathepsin S in complex with Compound 3 | Descriptor: | (6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine, Cathepsin S | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | Deposit date: | 2020-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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8OYT
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![BU of 8oyt by Molmil](/molmil-images/mine/8oyt) | Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '3 up' RBD conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H6 nanobody, ... | Authors: | Weckener, M, Naismith, J.H, Owens, R.J. | Deposit date: | 2023-05-05 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2. Open Biology, 14, 2024
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6T36
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![BU of 6t36 by Molmil](/molmil-images/mine/6t36) | Crystal structure of the PTPN3 PDZ domain bound to the HBV core protein C-terminal peptide | Descriptor: | BROMIDE ION, Capsid protein, Tyrosine-protein phosphatase non-receptor type 3 | Authors: | Genera, M, Mechaly, A, Haouz, A, Caillet-Saguy, C. | Deposit date: | 2019-10-10 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Molecular basis of the interaction of the human tyrosine phosphatase PTPN3 with the hepatitis B virus core protein. Sci Rep, 11, 2021
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8OYU
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![BU of 8oyu by Molmil](/molmil-images/mine/8oyu) | Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '2 up 1 down' RBD conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H6 nanobody, ... | Authors: | Weckener, M, Naismith, J.H, Owens, R.J. | Deposit date: | 2023-05-05 | Release date: | 2024-05-15 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2. Open Biology, 14, 2024
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7Z86
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![BU of 7z86 by Molmil](/molmil-images/mine/7z86) | |
7Z6V
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![BU of 7z6v by Molmil](/molmil-images/mine/7z6v) | CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11 nanobody complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody H11, ... | Authors: | Weckener, M, Naismith, J.H, Vogirala, V.K. | Deposit date: | 2022-03-14 | Release date: | 2022-07-13 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes. Proc.Natl.Acad.Sci.USA, 119, 2022
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7Z85
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![BU of 7z85 by Molmil](/molmil-images/mine/7z85) | CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-B5 nanobody complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody H11-B5, ... | Authors: | Weckener, M, Naismith, J.H. | Deposit date: | 2022-03-16 | Release date: | 2022-07-13 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes. Proc.Natl.Acad.Sci.USA, 119, 2022
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7Z9Q
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![BU of 7z9q by Molmil](/molmil-images/mine/7z9q) | CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-A10 nanobody complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody H11-A10, ... | Authors: | Weckener, M, Naismith, J.H. | Deposit date: | 2022-03-21 | Release date: | 2022-07-13 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes. Proc.Natl.Acad.Sci.USA, 119, 2022
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7Z7X
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![BU of 7z7x by Molmil](/molmil-images/mine/7z7x) | CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-H6 nanobody complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody H11-H6, ... | Authors: | Weckener, M, Naismith, J.H. | Deposit date: | 2022-03-16 | Release date: | 2022-07-13 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes. Proc.Natl.Acad.Sci.USA, 119, 2022
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7Z9R
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![BU of 7z9r by Molmil](/molmil-images/mine/7z9r) | |
8OEP
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![BU of 8oep by Molmil](/molmil-images/mine/8oep) | Crystal structure of the PTPN3 PDZ domain bound to the HPV18 E6 oncoprotein C-terminal peptide | Descriptor: | Protein E6, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3 | Authors: | Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C. | Deposit date: | 2023-03-11 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Interactions of the protein tyrosine phosphatase PTPN3 with viral and cellular partners through its PDZ domain: insights into structural determinants and phosphatase activity. Front Mol Biosci, 10, 2023
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8CQY
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![BU of 8cqy by Molmil](/molmil-images/mine/8cqy) | Crystal structure of the PTPN3 PDZ domain bound to the PBM TACE C-terminal peptide | Descriptor: | Disintegrin and metalloproteinase domain-containing protein 17, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3 | Authors: | Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C. | Deposit date: | 2023-03-07 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interactions of the protein tyrosine phosphatase PTPN3 with viral and cellular partners through its PDZ domain: insights into structural determinants and phosphatase activity. Front Mol Biosci, 10, 2023
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8C0E
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![BU of 8c0e by Molmil](/molmil-images/mine/8c0e) | The lipid linked oligosaccharide polymerase Wzy and its regulating co-polymerase Wzz form a complex in vivo and in vitro | Descriptor: | ECA polysaccharide chain length modulation protein | Authors: | Weckener, M, Woodward, L.S, Clarke, B.R, Liu, H, Ward, P.N, Le Bas, A, Bhella, D, Whitfield, C, Naismith, J.H. | Deposit date: | 2022-12-16 | Release date: | 2023-04-19 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The lipid linked oligosaccharide polymerase Wzy and its regulating co-polymerase, Wzz, from enterobacterial common antigen biosynthesis form a complex. Open Biology, 13, 2023
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6HKS
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![BU of 6hks by Molmil](/molmil-images/mine/6hks) | |
1CII
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![BU of 1cii by Molmil](/molmil-images/mine/1cii) | |
4H23
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![BU of 4h23 by Molmil](/molmil-images/mine/4h23) | Cytochrome P411BM3-CIS cyclopropanation catalyst | Descriptor: | Cytochrome P450-BM3 variant P411BM3-Cis, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Coelho, P.S, Wang, Z.J, Ener, M.E, Baril, S.A, Kannan, A, Arnold, F.H, Brustad, E.M. | Deposit date: | 2012-09-11 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A serine-substituted P450 catalyzes highly efficient carbene transfer to olefins in vivo. Nat.Chem.Biol., 9, 2013
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4H24
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![BU of 4h24 by Molmil](/molmil-images/mine/4h24) | Cytochrome P450BM3-CIS cyclopropanation catalyst | Descriptor: | Cytochrome P450-BM3 variant P450BM3-Cis, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Coelho, P.S, Wang, Z.J, Ener, M.E, Baril, S.A, Kannan, A, Arnold, F.H, Brustad, E.M. | Deposit date: | 2012-09-11 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A serine-substituted P450 catalyzes highly efficient carbene transfer to olefins in vivo. Nat.Chem.Biol., 9, 2013
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4N4A
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![BU of 4n4a by Molmil](/molmil-images/mine/4n4a) | Cystal structure of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 | Descriptor: | Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 | Authors: | Smietanski, M, Werener, M, Purta, E, Kaminska, K.H, Stepinski, J, Darzynkiewicz, E, Nowotny, M, Bujnicki, J.M. | Deposit date: | 2013-10-08 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation. Nat Commun, 5, 2014
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1UJW
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![BU of 1ujw by Molmil](/molmil-images/mine/1ujw) | Structure of the complex between BtuB and Colicin E3 Receptor binding domain | Descriptor: | 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, 3-OXO-PENTADECANOIC ACID, ACETOACETIC ACID, ... | Authors: | Kurisu, G, Zakharov, S.D, Zhalnina, M.V, Bano, S, Eroukova, V.Y, Rokitskaya, T.I, Antonenko, Y.N, Wiener, M.C, Cramer, W.A. | Deposit date: | 2003-08-12 | Release date: | 2003-11-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The structure of BtuB with bound colicin E3 R-domain implies a translocon NAT.STRUCT.BIOL., 10, 2003
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5URF
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![BU of 5urf by Molmil](/molmil-images/mine/5urf) | The structure of human bocavirus 1 | Descriptor: | viral protein 3 | Authors: | Mietzsch, M, Kailasan, S, Garrison, J, Ilyas, M, Chipman, P, Kandola, K, Jansen, M, Spear, J, Sousa, D, McKenna, R, Soderlund-Venermo, M, Baker, T, Agbandje-McKenna, M. | Deposit date: | 2017-02-10 | Release date: | 2017-03-29 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural Insights into Human Bocaparvoviruses. J. Virol., 91, 2017
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