8IWY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8iwy by Molmil](/molmil-images/mine/8iwy) | Cryo-EM structure of protonated LHCII in detergent solution at low pH value | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Ruan, M.X, Ding, W. | Deposit date: | 2023-03-31 | Release date: | 2023-09-06 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation. Nat.Plants, 9, 2023
|
|
8IX1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ix1 by Molmil](/molmil-images/mine/8ix1) | Cryo-EM structure of protonated LHCII nanodisc at low pH value | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Ruan, M.X, Ding, W. | Deposit date: | 2023-03-31 | Release date: | 2023-09-06 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation. Nat.Plants, 9, 2023
|
|
7X8M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x8m by Molmil](/molmil-images/mine/7x8m) | NMR Solution Structure of the 2:1 Berberine-KRAS-G4 Complex | Descriptor: | BERBERINE, DNA (24-MER) | Authors: | Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y. | Deposit date: | 2022-03-14 | Release date: | 2022-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine. Nat Commun, 13, 2022
|
|
7X8O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x8o by Molmil](/molmil-images/mine/7x8o) | NMR Solution Structure of the 2:1 Coptisine-KRAS-G4 Complex | Descriptor: | 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, DNA (24-MER) | Authors: | Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y. | Deposit date: | 2022-03-14 | Release date: | 2022-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine. Nat Commun, 13, 2022
|
|
7X8N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x8n by Molmil](/molmil-images/mine/7x8n) | NMR Solution Structure of the Wild-type Bulge-containing KRAS-G4 | Descriptor: | DNA (24-mer) | Authors: | Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y. | Deposit date: | 2022-03-14 | Release date: | 2022-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine. Nat Commun, 13, 2022
|
|
8IWZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8iwz by Molmil](/molmil-images/mine/8iwz) | Cryo-EM structure of unprotonated LHCII in detergent solution at low pH value | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Ruan, M.X, Ding, W. | Deposit date: | 2023-03-31 | Release date: | 2023-09-06 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.52 Å) | Cite: | Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation. Nat.Plants, 9, 2023
|
|
4I9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i9n by Molmil](/molmil-images/mine/4i9n) | Crystal structure of rabbit LDHA in complex with AP28161 and AP28122 | Descriptor: | 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
|
|
3ONI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oni by Molmil](/molmil-images/mine/3oni) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor JQ1 | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain containing 2, ... | Authors: | Filippakopoulos, P, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-29 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Selective inhibition of BET bromodomains. Nature, 468, 2010
|
|
4I9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i9u by Molmil](/molmil-images/mine/4i9u) | Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256 | Descriptor: | 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
|
|
3MXF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mxf by Molmil](/molmil-images/mine/3mxf) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JQ1 | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-05-07 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective inhibition of BET bromodomains. Nature, 468, 2010
|
|
5VAM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vam by Molmil](/molmil-images/mine/5vam) | BRAF in Complex with RAF709 | Descriptor: | N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2017-03-27 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers. J. Med. Chem., 60, 2017
|
|
5U8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u8a by Molmil](/molmil-images/mine/5u8a) | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | Descriptor: | (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | Authors: | Jakob, C.G, Zhu, H. | Deposit date: | 2016-12-14 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding. Bioorg. Med. Chem. Lett., 27, 2017
|
|
5UGA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uga by Molmil](/molmil-images/mine/5uga) | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium | Descriptor: | 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor, GLYCEROL, ... | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2017-01-07 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
|
|
5UGB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ugb by Molmil](/molmil-images/mine/5ugb) | |
5VAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5val by Molmil](/molmil-images/mine/5val) | BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide | Descriptor: | N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide, Serine/threonine-protein kinase B-raf | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2017-03-27 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers. J. Med. Chem., 60, 2017
|
|
2LN0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ln0 by Molmil](/molmil-images/mine/2ln0) | Structure of MOZ | Descriptor: | Histone acetyltransferase KAT6A, ZINC ION | Authors: | Qiu, Y. | Deposit date: | 2011-12-15 | Release date: | 2012-06-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription. Genes Dev., 26, 2012
|
|
8K7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k7a by Molmil](/molmil-images/mine/8k7a) | |
8K4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k4b by Molmil](/molmil-images/mine/8k4b) | Cryo-EM structure of nucleotide-bound ComA with ZinC ion | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Competence factor transporting ATP-binding protein/permease ComA, ZINC ION | Authors: | Yu, L, Xin, X, Min, L, Feng, H. | Deposit date: | 2023-07-17 | Release date: | 2023-10-11 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis of peptide secretion for Quorum sensing by ComA. Nat Commun, 14, 2023
|
|
7CHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7chf by Molmil](/molmil-images/mine/7chf) | |
8KGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8kgy by Molmil](/molmil-images/mine/8kgy) | Human glutamate dehydrogenase I | Descriptor: | Glutamate dehydrogenase 1, mitochondrial | Authors: | Su, M.-Y. | Deposit date: | 2023-08-20 | Release date: | 2023-10-25 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Cryo-EM structure of the KLHL22 E3 ligase bound to an oligomeric metabolic enzyme. Structure, 31, 2023
|
|
8K8K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k8k by Molmil](/molmil-images/mine/8k8k) | Structure of Klebsiella pneumonia ModA | Descriptor: | Molybdate transporter periplasmic protein | Authors: | Zhao, Q, Bartlam, M. | Deposit date: | 2023-07-31 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural analysis of molybdate binding protein ModA from Klebsiella pneumoniae. Biochem.Biophys.Res.Commun., 681, 2023
|
|
7CJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cjf by Molmil](/molmil-images/mine/7cjf) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | Authors: | Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z. | Deposit date: | 2020-07-10 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes. Nat Commun, 12, 2021
|
|
8K8L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k8l by Molmil](/molmil-images/mine/8k8l) | |
8KHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8khp by Molmil](/molmil-images/mine/8khp) | CULLIN3-KLHL22-RBX1 E3 ligase | Descriptor: | Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch-like protein 22 | Authors: | Su, M.-Y, Su, M.-Y. | Deposit date: | 2023-08-22 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | Cryo-EM structure of the KLHL22 E3 ligase bound to an oligomeric metabolic enzyme. Structure, 31, 2023
|
|
7CHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7che by Molmil](/molmil-images/mine/7che) | |