7NTD
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![BU of 7ntd by Molmil](/molmil-images/mine/7ntd) | The structure of the SBP TarP_Csal in complex with ferulate | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, MAGNESIUM ION, SULFATE ION, ... | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | Deposit date: | 2021-03-09 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters. Febs J., 289, 2022
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7NTE
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![BU of 7nte by Molmil](/molmil-images/mine/7nte) | The structure of an open conformation of the SBP TarP_Csal | Descriptor: | MAGNESIUM ION, TRAP dicarboxylate transporter-DctP subunit | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | Deposit date: | 2021-03-09 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters. Febs J., 289, 2022
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7NXF
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![BU of 7nxf by Molmil](/molmil-images/mine/7nxf) | Structure of the fungal plasma membrane proton pump Pma1 in its auto-inhibited state - monomer unit | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Heit, S, Geurts, M.M.G, Murphy, B.J, Corey, R, Mills, D.J, Kuehlbrandt, W, Bublitz, M. | Deposit date: | 2021-03-18 | Release date: | 2021-11-17 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of the hexameric fungal plasma membrane proton pump in its autoinhibited state. Sci Adv, 7, 2021
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7NY1
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![BU of 7ny1 by Molmil](/molmil-images/mine/7ny1) | Structure of the fungal plasma membrane proton pump Pma1 in its auto-inhibited state - hexameric assembly | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Heit, S, Geurts, M.M.G, Murphy, B.J, Corey, R, Mills, D.J, Kuehlbrandt, W, Bublitz, M. | Deposit date: | 2021-03-19 | Release date: | 2021-11-17 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Structure of the hexameric fungal plasma membrane proton pump in its autoinhibited state. Sci Adv, 7, 2021
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7OBM
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![BU of 7obm by Molmil](/molmil-images/mine/7obm) | Crystal structure of the human Prolyl Endopeptidase-Like protein short form (residues 90-727) | Descriptor: | Prolyl endopeptidase-like | Authors: | Rosier, K, McDevitt, M.T, Brendan, J.F, Marcaida, M.J, Bingman, C.A, Pagliarini, D.J, Creemers, J.W.M, Smith, R.W, Mitochondrial Protein Partnership (MPP) | Deposit date: | 2021-04-22 | Release date: | 2021-11-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Prolyl endopeptidase-like is a (thio)esterase involved in mitochondrial respiratory chain function. Iscience, 24, 2021
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7S55
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![BU of 7s55 by Molmil](/molmil-images/mine/7s55) | |
6VN4
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![BU of 6vn4 by Molmil](/molmil-images/mine/6vn4) | USP7 IN COMPLEX WITH LIGAND COMPOUND 1 | Descriptor: | 3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | Deposit date: | 2020-01-29 | Release date: | 2020-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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7TE7
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![BU of 7te7 by Molmil](/molmil-images/mine/7te7) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with RAD1901 | Descriptor: | (6R)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | Authors: | Joiner, C, Hancock, G, Young, K, Hosfield, D.J, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-01-04 | Release date: | 2022-01-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
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7T02
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![BU of 7t02 by Molmil](/molmil-images/mine/7t02) | |
6VXY
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![BU of 6vxy by Molmil](/molmil-images/mine/6vxy) | Triazole bridged SFTI1 inhibitor in complex with beta-trypsin | Descriptor: | 1-methyl-1H-1,2,3-triazole, CALCIUM ION, Cationic trypsin, ... | Authors: | White, A.M, King, G.J, Durek, T, Craik, D.J. | Deposit date: | 2020-02-25 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 2020
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6VZO
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![BU of 6vzo by Molmil](/molmil-images/mine/6vzo) | |
6VZM
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![BU of 6vzm by Molmil](/molmil-images/mine/6vzm) | |
6VZN
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![BU of 6vzn by Molmil](/molmil-images/mine/6vzn) | |
6VZL
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![BU of 6vzl by Molmil](/molmil-images/mine/6vzl) | |
7SVM
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![BU of 7svm by Molmil](/molmil-images/mine/7svm) | DPP8 IN COMPLEX WITH LIGAND ICeD-2 | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7SVN
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![BU of 7svn by Molmil](/molmil-images/mine/7svn) | DPP9 IN COMPLEX WITH LIGAND ICeD-1 | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9 | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7SVO
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![BU of 7svo by Molmil](/molmil-images/mine/7svo) | DPP8 IN COMPLEX WITH LIGAND ICeD-1 | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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3S85
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![BU of 3s85 by Molmil](/molmil-images/mine/3s85) | Discovery of New HIV Protease Inhibitors with Potential for Convenient Dosing and Reduced Side Effects: A-790742 and A-792611. | Descriptor: | Protease/reverse transcriptase, methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | Authors: | DeGoey, D.A, Flosi, W.J, Grampovnik, D.J, Flentge, C.A. | Deposit date: | 2011-05-27 | Release date: | 2012-04-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects. J.Med.Chem., 52, 2009
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3FJP
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![BU of 3fjp by Molmil](/molmil-images/mine/3fjp) | Apo structure of Biotin protein ligase from Aquifex aeolicus | Descriptor: | Biotin [acetyl-CoA-carboxylase] ligase, SULFATE ION | Authors: | McNae, I.W, Tron, C.M, Baxter, R.L, Walkinshaw, M.D, Campopiano, D.J. | Deposit date: | 2008-12-15 | Release date: | 2009-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity. J.Mol.Biol., 387, 2009
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8TDU
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![BU of 8tdu by Molmil](/molmil-images/mine/8tdu) | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha | Descriptor: | N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Hilbert, B.J, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | Deposit date: | 2023-07-05 | Release date: | 2023-09-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts. Cancer Discov, 13, 2023
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8TGD
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![BU of 8tgd by Molmil](/molmil-images/mine/8tgd) | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to H1047R PI3Kalpha | Descriptor: | 1,2-ETHANEDIOL, N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, ... | Authors: | Hilbert, B, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | Deposit date: | 2023-07-12 | Release date: | 2023-09-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.928 Å) | Cite: | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts. Cancer Discov, 13, 2023
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3F6X
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![BU of 3f6x by Molmil](/molmil-images/mine/3f6x) | c-Src kinase domain in complex with small molecule inhibitor | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile | Authors: | Seeliger, M.A, Statsuk, A.V, Maly, D.J, Patrick, P.Z, Kuriyan, J, Shokat, K.M. | Deposit date: | 2008-11-06 | Release date: | 2008-12-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Tuning a three-component reaction for trapping kinase substrate complexes. J.Am.Chem.Soc., 130, 2008
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2H8S
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![BU of 2h8s by Molmil](/molmil-images/mine/2h8s) | Solution structure of alpha-conotoxin Vc1.1 | Descriptor: | Alpha-conotoxin Vc1A | Authors: | Clark, R.J, Fischer, H, Nevin, S.T, Adams, D.J, Craik, D.J. | Deposit date: | 2006-06-07 | Release date: | 2006-06-27 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | The Synthesis, Structural Characterization, and Receptor Specificity of the {alpha}-Conotoxin Vc1.1. J.Biol.Chem., 281, 2006
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3F73
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![BU of 3f73 by Molmil](/molmil-images/mine/3f73) | Alignment of guide-target seed duplex within an argonaute silencing complex | Descriptor: | ARGONAUTE, DNA (5'-D(P*DTP*DGP*DAP*DGP*DGP*DTP*DAP*DGP*DTP*DAP*DGP*DGP*DTP*DTP*DGP*DTP*DA*DTP*DAP*DGP*DT)-3'), MAGNESIUM ION, ... | Authors: | Wang, Y, Li, H, Sheng, G, Juranek, S, Tuschl, T, Patel, D.J. | Deposit date: | 2008-11-07 | Release date: | 2008-12-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of an argonaute silencing complex with a seed-containing guide DNA and target RNA duplex. Nature, 456, 2008
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1JJP
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![BU of 1jjp by Molmil](/molmil-images/mine/1jjp) | A(GGGG) Pentad-Containing Dimeric DNA Quadruplex Involving Stacked G(anti)G(anti)G(anti)G(syn) Tetrads | Descriptor: | 5'-D(*GP*GP*GP*AP*GP*GP*TP*TP*TP*GP*GP*GP*AP*T)-3' | Authors: | Zhang, N, Gorin, A, Majumdar, A, Kettani, A, Chernichenko, N, Skripkin, E, Patel, D.J. | Deposit date: | 2001-07-09 | Release date: | 2001-09-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | V-shaped scaffold: a new architectural motif identified in an A x (G x G x G x G) pentad-containing dimeric DNA quadruplex involving stacked G(anti) x G(anti) x G(anti) x G(syn) tetrads. J.Mol.Biol., 311, 2001
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