7GES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ges by Molmil](/molmil-images/mine/7ges) | 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-bb423b95-7 (Mpro-x11501) | Descriptor: | 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide, 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 (1.47 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GCM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gcm by Molmil](/molmil-images/mine/7gcm) | 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-THE-c331be7a-2 (Mpro-x10678) | Descriptor: | 3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile, 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 (1.571 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GF4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7gf4 by Molmil](/molmil-images/mine/7gf4) | 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-590ac91e-17 (Mpro-x11560) | Descriptor: | (2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide, 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 (1.561 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
8F1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f1s by Molmil](/molmil-images/mine/8f1s) | A benzimidazole (DB1476) sequence-specific recognition of 5'-CGCAAAAAAGCG-3' in A-orientation | Descriptor: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*TP*GP*CP*G)-3'), ... | Authors: | Ogbonna, E.N, Wilson, W.D. | Deposit date: | 2022-11-06 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
|
|
8F1V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f1v by Molmil](/molmil-images/mine/8f1v) | A benzimidazole (DB1476) sequence-specific recognition of 5'-CGCAAAAAAGCG-3' in B-orientation | Descriptor: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*TP*GP*CP*G)-3'), ... | Authors: | Ogbonna, E.N, Wilson, W.D. | Deposit date: | 2022-11-06 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
|
|
8FDR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fdr by Molmil](/molmil-images/mine/8fdr) | Structure of a dodecamer complex: 5'-CGCGAAAAGCCG-3-DB1476 | Descriptor: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*TP*TP*TP*CP*GP*CP*G)-3'), ... | Authors: | Ogbonna, E, Wilson, W.D. | Deposit date: | 2022-12-04 | Release date: | 2023-02-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
|
|
8ED6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ed6 by Molmil](/molmil-images/mine/8ed6) | |
8EDA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8eda by Molmil](/molmil-images/mine/8eda) | An alternating AT dodecamer benzimidazole (DB1476) complex | Descriptor: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Ogbonna, E.N, Wilson, W.D. | Deposit date: | 2022-09-03 | Release date: | 2023-02-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
|
|
8EC1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ec1 by Molmil](/molmil-images/mine/8ec1) | |
8EDB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8edb by Molmil](/molmil-images/mine/8edb) | 5'-CGCGAATTCGCG-3' and an AT-specific binder (DB1884) complex | Descriptor: | 4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Ogbonna, E.N, Wilson, W.D. | Deposit date: | 2022-09-03 | Release date: | 2023-02-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
|
|
4RML
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rml by Molmil](/molmil-images/mine/4rml) | Crystal structure of the Olfactomedin domain of latrophilin 3 in C2221 crystal form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Latrophilin-3, MAGNESIUM ION | Authors: | Ranaivoson, F.M, Liu, Q, Martini, F, Bergami, F, Von daake, S, Li, S, Demeler, B, Hendrickson, W.A, Comoletti, D. | Deposit date: | 2014-10-21 | Release date: | 2015-08-19 | Last modified: | 2015-10-07 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Structural and Mechanistic Insights into the Latrophilin3-FLRT3 Complex that Mediates Glutamatergic Synapse Development. Structure, 23, 2015
|
|
8F94
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f94 by Molmil](/molmil-images/mine/8f94) | |
8F2W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f2w by Molmil](/molmil-images/mine/8f2w) | Structure of a B-Form Dodecamer: 5'-CGCGAATTCGCG-3 | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Ogbonna, E.N, Wilson, W.D. | Deposit date: | 2022-11-08 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
|
|
8F2Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f2y by Molmil](/molmil-images/mine/8f2y) | |
8F20
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f20 by Molmil](/molmil-images/mine/8f20) | Structure of an A-tract B-DNA Dodecamer: 5'-CGCAAAAAAGCG-3 | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*TP*GP*CP*G)-3') | Authors: | Ogbonna, E.N, Wilson, W.D. | Deposit date: | 2022-11-06 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
|
|
8FDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fdp by Molmil](/molmil-images/mine/8fdp) | |
8FDQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fdq by Molmil](/molmil-images/mine/8fdq) | |
8FB4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fb4 by Molmil](/molmil-images/mine/8fb4) | Structure of an alternating AT 16-mer bound by diamidine DB1476: 5'-GCTGGATATATCCAGC-3 | Descriptor: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*TP*AP*TP*AP*TP*CP*CP*AP*GP*C)-3') | Authors: | Terrell, J.R, Ogbonna, E.N, Wilson, W.D. | Deposit date: | 2022-11-29 | Release date: | 2023-02-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
|
|
1Q8I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1q8i by Molmil](/molmil-images/mine/1q8i) | Crystal structure of ESCHERICHIA coli DNA Polymerase II | Descriptor: | DNA polymerase II | Authors: | Brunzelle, J.S, Muchmore, C.R.A, Mashhoon, N, Blair-Johnson, M, Shuvalova, L, Goodman, M.F, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-08-21 | Release date: | 2004-01-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Escherichia Coli DNA Polymerase II To be Published
|
|
7Q1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q1s by Molmil](/molmil-images/mine/7q1s) | A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB_var | Descriptor: | 1,2-ETHANEDIOL, apCC-Di-A_var, apCC-Di-B_var | Authors: | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | Deposit date: | 2021-10-20 | Release date: | 2022-07-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | De novo designed peptides for cellular delivery and subcellular localisation. Nat.Chem.Biol., 18, 2022
|
|
8UTG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8utg by Molmil](/molmil-images/mine/8utg) | An RNA G-Quadruplex from the NS5 gene in the West Nile Virus Genome | Descriptor: | AMMONIUM ION, POTASSIUM ION, RNA (5'-R(*UP*AP*UP*GP*GP*AP*AP*GP*AP*GP*GP*CP*GP*GP*UP*UP*GP*GP*UP*AP*U)-3') | Authors: | Terrell, J.R, Le, T.T, Wilson, W.D, Siemer, J.L. | Deposit date: | 2023-10-31 | Release date: | 2024-06-19 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure of an RNA G-quadruplex from the West Nile virus genome. Nat Commun, 15, 2024
|
|
3NX4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nx4 by Molmil](/molmil-images/mine/3nx4) | Crystal structure of the yhdH oxidoreductase from Salmonella enterica in complex with NADP | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative oxidoreductase | Authors: | Anderson, S.M, Wawrzak, Z, Peterson, S, Onopriyenko, O, Skarina, T, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-07-12 | Release date: | 2010-08-04 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the yhdH oxidoreductase from Salmonella enterica in complex with NADP To be Published
|
|
7RSY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rsy by Molmil](/molmil-images/mine/7rsy) | HIV-1 gp120 complex with CJF-III-049-R | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 gp120 Clade C1086, N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3R)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2021-08-12 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of gp120 Residue His105 as a Novel Target for HIV-1 Neutralization by Small-Molecule CD4-Mimics. Acs Med.Chem.Lett., 12, 2021
|
|
7RSZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rsz by Molmil](/molmil-images/mine/7rsz) | HIV-1 gp120 complex with CJF-II-204 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 gp120 Clade C1086, N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3R)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide, ... | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2021-08-12 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Identification of gp120 Residue His105 as a Novel Target for HIV-1 Neutralization by Small-Molecule CD4-Mimics. Acs Med.Chem.Lett., 12, 2021
|
|
7RSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rsx by Molmil](/molmil-images/mine/7rsx) | HIV-1 gp120 complex with CJF-III-049-S | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120, N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2021-08-12 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Identification of gp120 Residue His105 as a Novel Target for HIV-1 Neutralization by Small-Molecule CD4-Mimics. Acs Med.Chem.Lett., 12, 2021
|
|