7UDP
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![BU of 7udp by Molmil](/molmil-images/mine/7udp) | Crystal structure of COQ8A-CA157 inhibitor complex in space group C2 | Descriptor: | 4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile, Atypical kinase COQ8A, mitochondrial | Authors: | Bingman, C.A, Murray, N, Smith, R.W, Pagliarini, D.J. | Deposit date: | 2022-03-20 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Small-molecule inhibition of the archetypal UbiB protein COQ8. Nat.Chem.Biol., 19, 2023
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4X9X
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![BU of 4x9x by Molmil](/molmil-images/mine/4x9x) | Biochemical Roles for Conserved Residues in the Bacterial Fatty Acid Binding Protein Family | Descriptor: | 1,2-ETHANEDIOL, DegV domain-containing protein MW1315, OLEIC ACID | Authors: | Broussard, T.C, Miller, D.J, Jackson, P, Nourse, A, Rock, C.O. | Deposit date: | 2014-12-11 | Release date: | 2016-01-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.199 Å) | Cite: | Biochemical Roles for Conserved Residues in the Bacterial Fatty Acid-binding Protein Family. J.Biol.Chem., 291, 2016
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4XD2
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![BU of 4xd2 by Molmil](/molmil-images/mine/4xd2) | Horse liver alcohol dehydrogenase-NADH complex | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V, Baskar Raj, S, Ferraro, D.J. | Deposit date: | 2014-12-18 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure of Horse liver alcohol dehydrogenase complexed with NADH To Be Published
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4XEK
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![BU of 4xek by Molmil](/molmil-images/mine/4xek) | Pyk2-FAT domain in complex with leupaxin LD4 motif | Descriptor: | 19-mer peptide containing Leupaxin LD4 motif, Protein-tyrosine kinase 2-beta | Authors: | Miller, D.J. | Deposit date: | 2014-12-24 | Release date: | 2015-12-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.793 Å) | Cite: | Structural Basis for the Interaction between Pyk2-FAT Domain and Leupaxin LD Repeats. Biochemistry, 55, 2016
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4XEF
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![BU of 4xef by Molmil](/molmil-images/mine/4xef) | Pyk2-FAT complexed with Leupaxin LD motif LD1 | Descriptor: | 20-mer peptide containing LD1 motif of leupaxin, Protein-tyrosine kinase 2-beta | Authors: | Miller, D.J. | Deposit date: | 2014-12-23 | Release date: | 2015-12-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for the Interaction between Pyk2-FAT Domain and Leupaxin LD Repeats. Biochemistry, 55, 2016
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4XEV
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![BU of 4xev by Molmil](/molmil-images/mine/4xev) | |
7UJC
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![BU of 7ujc by Molmil](/molmil-images/mine/7ujc) | |
7UJ8
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![BU of 7uj8 by Molmil](/molmil-images/mine/7uj8) | |
7UJF
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![BU of 7ujf by Molmil](/molmil-images/mine/7ujf) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative with Selective Estrogen Receptor Degrader Properties | Descriptor: | (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | Authors: | Hosfield, D.J, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-03-30 | Release date: | 2022-06-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
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7UJO
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![BU of 7ujo by Molmil](/molmil-images/mine/7ujo) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411 | Descriptor: | (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol, Estrogen receptor, MAGNESIUM ION | Authors: | Hosfield, D.J, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-03-31 | Release date: | 2022-06-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
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7UJY
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![BU of 7ujy by Molmil](/molmil-images/mine/7ujy) | Estrogen receptor alpha ligand binding domain Y537S mutant in complex with a methylated lasofoxifene derivative that enhances estrogen receptor alpha nuclear resonance time | Descriptor: | (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | Authors: | Hosfield, D.J, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-03-31 | Release date: | 2022-06-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
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7UJW
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![BU of 7ujw by Molmil](/molmil-images/mine/7ujw) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with a Methylated Lasofoxifene Derivative that Possesses Selective Estrogen Receptor Degrader Activities | Descriptor: | (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | Authors: | Hosfield, D.J, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-03-31 | Release date: | 2022-06-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
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7UJM
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![BU of 7ujm by Molmil](/molmil-images/mine/7ujm) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative That Increases Receptor Resonance Time in the Nucleus of Breast Cancer Cells | Descriptor: | (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | Authors: | Hosfield, D.J, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-03-31 | Release date: | 2022-06-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
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7SVL
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![BU of 7svl by Molmil](/molmil-images/mine/7svl) | DPP9 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 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 (2.46 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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7T8N
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![BU of 7t8n by Molmil](/molmil-images/mine/7t8n) | Crystal structure of the PNAG binding module PgaA-TPR 220-359 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Poly-beta-1,6-N-acetyl-D-glucosamine export protein | Authors: | Pfoh, R, Little, D.J, Howell, P.L. | Deposit date: | 2021-12-16 | Release date: | 2022-08-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The TPR domain of PgaA is a multifunctional scaffold that binds PNAG and modulates PgaB-dependent polymer processing. Plos Pathog., 18, 2022
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7TVE
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![BU of 7tve by Molmil](/molmil-images/mine/7tve) | ATP and DNA bound SMC5/6 core complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (68-MER), DNA (78-MER), ... | Authors: | Yu, Y, Patel, D.J. | Deposit date: | 2022-02-04 | Release date: | 2022-06-22 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structure of DNA-bound Smc5/6 reveals DNA clamping enabled by multi-subunit conformational changes. Proc.Natl.Acad.Sci.USA, 119, 2022
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4YB0
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![BU of 4yb0 by Molmil](/molmil-images/mine/4yb0) | 3',3'-cGAMP riboswitch bound with c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ren, A.M, Patel, D.J, Rajashankar, R.K. | Deposit date: | 2015-02-18 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.121 Å) | Cite: | Structural Basis for Molecular Discrimination by a 3',3'-cGAMP Sensing Riboswitch. Cell Rep, 11, 2015
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7UNX
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![BU of 7unx by Molmil](/molmil-images/mine/7unx) | |
7VKJ
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![BU of 7vkj by Molmil](/molmil-images/mine/7vkj) | Structure of ESRP1 qRRM3 domain | Descriptor: | Epithelial splicing regulatory protein 1 | Authors: | Wu, B.X, Patel, D.J. | Deposit date: | 2021-09-30 | Release date: | 2022-10-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of ESRP1 qRRM3 domain To Be Published
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9B1R
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![BU of 9b1r by Molmil](/molmil-images/mine/9b1r) | Functional implication of the homotrimeric multidomain vacuolar sorting receptor 1 from Arabidopsis thaliana | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Vacuolar-sorting receptor 1 | Authors: | Park, H, Youn, B, Park, D.J, Puthanveettil, S.V, Kang, C. | Deposit date: | 2024-03-13 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Functional implication of the homotrimeric multidomain vacuolar sorting receptor 1 (VSR1) from Arabidopsis thaliana. Sci Rep, 14, 2024
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9C8R
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![BU of 9c8r by Molmil](/molmil-images/mine/9c8r) | |
8UTE
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![BU of 8ute by Molmil](/molmil-images/mine/8ute) | Structure of SARS-Cov2 3CLPro in complex with Compound 27 | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-31 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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9C8S
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8URQ
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![BU of 8urq by Molmil](/molmil-images/mine/8urq) | Spo11 core complex with gapped DNA | Descriptor: | Antiviral protein SKI8, MAGNESIUM ION, Meiosis-specific protein SPO11, ... | Authors: | Yu, Y, Patel, D.J. | Deposit date: | 2023-10-26 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structure of the yeast Spo11 core complex bound to DNA To Be Published
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9BAF
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![BU of 9baf by Molmil](/molmil-images/mine/9baf) | Solution NMR structure of conofurin-Delta | Descriptor: | Alpha-conotoxin LvIA | Authors: | Harvey, P.J, Craik, D.J, Hone, A.J, McIntosh, J.M. | Deposit date: | 2024-04-04 | Release date: | 2024-07-03 | Method: | SOLUTION NMR | Cite: | Design, Synthesis, and Structure-Activity Relationships of Novel Peptide Derivatives of the Severe Acute Respiratory Syndrome-Coronavirus-2 Spike-Protein that Potently Inhibit Nicotinic Acetylcholine Receptors. J.Med.Chem., 67, 2024
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