2BNH
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![BU of 2bnh by Molmil](/molmil-images/mine/2bnh) | PORCINE RIBONUCLEASE INHIBITOR | Descriptor: | RIBONUCLEASE INHIBITOR | Authors: | Kobe, B, Deisenhofer, J. | Deposit date: | 1996-06-29 | Release date: | 1997-03-12 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanism of ribonuclease inhibition by ribonuclease inhibitor protein based on the crystal structure of its complex with ribonuclease A. J.Mol.Biol., 264, 1996
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8AMS
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![BU of 8ams by Molmil](/molmil-images/mine/8ams) | Complex of human TRIM2 RING domain, UBCH5C, and Ubiquitin | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, Polyubiquitin-C, ... | Authors: | Perez-Borrajero, C, Kotova, I, Murciano, B, Hennig, J. | Deposit date: | 2022-08-04 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and biophysical studies of TRIM2 and TRIM3 To Be Published
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8ATB
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![BU of 8atb by Molmil](/molmil-images/mine/8atb) | Discovery of IRAK4 Inhibitor 16 | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | Deposit date: | 2022-08-22 | Release date: | 2023-11-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . J.Med.Chem., 67, 2024
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7D0Q
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7D0P
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7D0O
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![BU of 7d0o by Molmil](/molmil-images/mine/7d0o) | Crystal structure of human HBO1-BRPF2 in apo form | Descriptor: | 1,2-ETHANEDIOL, BRD1 protein, Histone acetyltransferase KAT7, ... | Authors: | Li, W, Ding, J. | Deposit date: | 2020-09-11 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | HBO1 is a versatile histone acyltransferase critical for promoter histone acylations. Nucleic Acids Res., 49, 2021
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7D0R
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![BU of 7d0r by Molmil](/molmil-images/mine/7d0r) | |
7D0S
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2CCV
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![BU of 2ccv by Molmil](/molmil-images/mine/2ccv) | Structure of Helix Pomatia agglutinin with zinc and N-acetyl-alpha-D- galactoseamine (GalNAc) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Sanchez, J.-F, Lescar, J, Chazalet, V, Audfray, A, Gautier, C, Gagnon, J, Breton, C, Imberty, A, Mitchell, E.P. | Deposit date: | 2006-01-18 | Release date: | 2006-05-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Biochemical and Structural Analysis of Helix Pomatia Agglutinin. A Hexameric Lectin with a Novel Fold. J.Biol.Chem., 281, 2006
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7OZR
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4ZV5
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![BU of 4zv5 by Molmil](/molmil-images/mine/4zv5) | Crystal structure of N-myristoylated mouse mammary tumor virus matrix protein | Descriptor: | MYRISTIC ACID, Matrix protein p10 | Authors: | Zabransky, A, Dolezal, M, Dostal, J, Vanek, O, Hadravova, R, Stokrova, J, Brynda, J, Pichova, I. | Deposit date: | 2015-05-18 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Myristoylation drives dimerization of matrix protein from mouse mammary tumor virus. Retrovirology, 13, 2016
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4TT6
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![BU of 4tt6 by Molmil](/molmil-images/mine/4tt6) | Crystal structure of ATAD2A bromodomain double mutant N1063A-Y1064A in apo form | Descriptor: | ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ... | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | Deposit date: | 2014-06-19 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
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2C86
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![BU of 2c86 by Molmil](/molmil-images/mine/2c86) | x-ray structure of the N and C-terminal domain of coronavirus nucleocapsid protein. | Descriptor: | NUCLEOCAPSID PROTEIN | Authors: | Jayaram, H, Fan, H, Bowman, B.R, Ooi, A, Jayaram, J, Collinson, E.W, Lescar, J, Prasad, B.V.V. | Deposit date: | 2005-12-02 | Release date: | 2006-06-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-Ray Structures of the N- and C-Terminal Domains of a Coronavirus Nucleocapsid Protein: Implications for Nucleocapsid Formation. J.Virol., 80, 2006
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4TTE
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![BU of 4tte by Molmil](/molmil-images/mine/4tte) | Crystal structure of ATAD2A bromodomain complexed with methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate | Descriptor: | ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ... | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | Deposit date: | 2014-06-20 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
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6RZ3
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![BU of 6rz3 by Molmil](/molmil-images/mine/6rz3) | Crystal structure of a complex between the DNA-binding domain of p53 and the carboxyl-terminal conserved region of iASPP | Descriptor: | Cellular tumor antigen p53, RelA-associated inhibitor, ZINC ION | Authors: | Chen, S, Ren, J, Jones, E.Y, Lu, X. | Deposit date: | 2019-06-12 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (4.23 Å) | Cite: | iASPP mediates p53 selectivity through a modular mechanism fine-tuning DNA recognition. Proc.Natl.Acad.Sci.USA, 116, 2019
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7GMO
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![BU of 7gmo by Molmil](/molmil-images/mine/7gmo) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-12c4873b-5 (Mpro-P2206) | Descriptor: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-2-oxopyrrolidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.855 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GI7
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![BU of 7gi7 by Molmil](/molmil-images/mine/7gi7) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-6c284e65-1 (Mpro-P0057) | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GN6
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![BU of 7gn6 by Molmil](/molmil-images/mine/7gn6) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-e119ab4f-5 (Mpro-P2358) | Descriptor: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(methylamino)-2-oxoethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GIN
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![BU of 7gin by Molmil](/molmil-images/mine/7gin) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-869ac754-1 (Mpro-P0114) | Descriptor: | (4R)-6,7-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.858 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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8JZN
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![BU of 8jzn by Molmil](/molmil-images/mine/8jzn) | Structure of a fungal 1,3-beta-glucan synthase | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, C, You, Z, Chen, D, Hang, J, Wang, Z, Meng, J, Wang, L, Zhao, P, Qiao, J, Yun, C, Bai, L. | Deposit date: | 2023-07-05 | Release date: | 2023-10-04 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | Structure of a fungal 1,3-beta-glucan synthase. Sci Adv, 9, 2023
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7GNL
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![BU of 7gnl by Molmil](/molmil-images/mine/7gnl) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with NIR-WEI-dcc3321b-1 (Mpro-P2757) | Descriptor: | (4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.681 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GJ4
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![BU of 7gj4 by Molmil](/molmil-images/mine/7gj4) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDG-MED-5d232de5-1 (Mpro-P0160) | Descriptor: | (4R)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.128 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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8JVM
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![BU of 8jvm by Molmil](/molmil-images/mine/8jvm) | AHS-CSF domains of phage lambda tail | Descriptor: | Tip attachment protein J | Authors: | Wang, J. | Deposit date: | 2023-06-28 | Release date: | 2023-10-18 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.86 Å) | Cite: | Architecture of the bacteriophage lambda tail. Structure, 32, 2024
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7RG7
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![BU of 7rg7 by Molmil](/molmil-images/mine/7rg7) | Crystal structure of nanoclamp8:VHH in complex with MTX | Descriptor: | MAGNESIUM ION, METHOTREXATE, nano CLostridial Antibody Mimetic Protein 8 VHH | Authors: | Guo, Z, Peat, T, Newman, J, Alexandrov, K. | Deposit date: | 2021-07-14 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Design of a methotrexate-controlled chemical dimerization system and its use in bio-electronic devices. Nat Commun, 12, 2021
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6SD0
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![BU of 6sd0 by Molmil](/molmil-images/mine/6sd0) | |