5YQX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yqx by Molmil](/molmil-images/mine/5yqx) | Crystal Structure Analysis of the BRD4 | Descriptor: | (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | Authors: | Xue, X, Zhang, Y, Wang, C, Song, M. | Deposit date: | 2017-11-08 | Release date: | 2018-11-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer. Eur.J.Med.Chem., 152, 2018
|
|
7XPQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xpq by Molmil](/molmil-images/mine/7xpq) | |
7XPO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xpo by Molmil](/molmil-images/mine/7xpo) | Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-Glc | Descriptor: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, ... | Authors: | Chen, Y.H, Wang, X.C, Zhang, C.R. | Deposit date: | 2022-05-05 | Release date: | 2023-05-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis. Nat Commun, 14, 2023
|
|
7XPP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xpp by Molmil](/molmil-images/mine/7xpp) | |
7Y4F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y4f by Molmil](/molmil-images/mine/7y4f) | bacterial DPP4 | Descriptor: | Dipeptidyl peptidase IV | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | Deposit date: | 2022-06-14 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.918 Å) | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target. Science, 381, 2023
|
|
7Y4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y4g by Molmil](/molmil-images/mine/7y4g) | sit-bound btDPP4 | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, btDPP4 | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | Deposit date: | 2022-06-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target. Science, 381, 2023
|
|
5J9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j9t by Molmil](/molmil-images/mine/5j9t) | Crystal structure of the NuA4 core complex | Descriptor: | Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ... | Authors: | Chen, Z.C, Xu, P. | Deposit date: | 2016-04-11 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism Mol.Cell, 63, 2016
|
|
8WB2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wb2 by Molmil](/molmil-images/mine/8wb2) | Heme-bound Arabidopsis thaliana temperature-induced lipocalin | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Temperature-induced lipocalin-1 | Authors: | Dong, C, Liu, L. | Deposit date: | 2023-09-08 | Release date: | 2023-12-27 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic and functional studies of a plant temperature-induced lipocalin. Biochim Biophys Acta Gen Subj, 1868, 2023
|
|
1TV6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tv6 by Molmil](/molmil-images/mine/1tv6) | HIV-1 Reverse Transcriptase Complexed with CP-94,707 | Descriptor: | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-1-YL)BENZYL]-3H-BENZOTHIAZOL-2-ONE, reverse transcriptase p51 subunit, reverse transcriptase p66 subunit | Authors: | Pata, J.D, Stirtan, W.G, Goldstein, S.W, Steitz, T.A. | Deposit date: | 2004-06-28 | Release date: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of HIV-1 reverse transcriptase bound to an inhibitor active against mutant RTs resistant to other non-nucleoside inhibitors Proc.Natl.Acad.Sci.USA, 101, 2004
|
|
5J9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j9u by Molmil](/molmil-images/mine/5j9u) | Crystal structure of the NuA4 core complex | Descriptor: | Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ... | Authors: | Chen, Z.C, Xu, P. | Deposit date: | 2016-04-11 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism Mol.Cell, 63, 2016
|
|
1T99
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t99 by Molmil](/molmil-images/mine/1t99) | r106g kdo8ps without substrates | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION | Authors: | Gatti, D.L. | Deposit date: | 2004-05-16 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase. To be Published
|
|
8WHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8whz by Molmil](/molmil-images/mine/8whz) | BA.2.86 RBD in complex with hACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Processed angiotensin-converting enzyme 2, ... | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-09-23 | Release date: | 2024-06-26 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.93 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity. Natl Sci Rev, 11, 2024
|
|
8X55
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8x55 by Molmil](/molmil-images/mine/8x55) | BA.2.86 Spike Trimer with T356K mutation (3 RBD down) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-11-16 | Release date: | 2024-06-26 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity. Natl Sci Rev, 11, 2024
|
|
1T8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t8x by Molmil](/molmil-images/mine/1t8x) | r106g kdo8ps with pep and a5p | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, ARABINOSE-5-PHOSPHATE, CADMIUM ION, ... | Authors: | Gatti, D.L. | Deposit date: | 2004-05-13 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase. To be Published
|
|
8X4Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8x4z by Molmil](/molmil-images/mine/8x4z) | BA.2.86 Spike Trimer with ins483V mutation (3 RBD down) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-11-16 | Release date: | 2024-06-26 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity. Natl Sci Rev, 11, 2024
|
|
8X56
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8x56 by Molmil](/molmil-images/mine/8x56) | BA.2.86 Spike Trimer with T356K mutation (1 RBD up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-11-16 | Release date: | 2024-06-26 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.93 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity. Natl Sci Rev, 11, 2024
|
|
8WHS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8whs by Molmil](/molmil-images/mine/8whs) | Spike Trimer of BA.2.86 in complex with one hACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Processed angiotensin-converting enzyme 2, ... | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-09-23 | Release date: | 2024-07-03 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity. Natl Sci Rev, 11, 2024
|
|
8X50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8x50 by Molmil](/molmil-images/mine/8x50) | BA.2.86 Spike Trimer with ins483V mutation (1 RBD up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-11-16 | Release date: | 2024-06-26 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.82 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity. Natl Sci Rev, 11, 2024
|
|
8WHV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8whv by Molmil](/molmil-images/mine/8whv) | Spike Trimer of BA.2.86 with three RBDs down | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-09-23 | Release date: | 2024-07-03 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity. Natl Sci Rev, 11, 2024
|
|
5ZQY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zqy by Molmil](/molmil-images/mine/5zqy) | Crystal structure of a poly(ADP-ribose) glycohydrolase | Descriptor: | MAGNESIUM ION, Poly(ADP-ribose) glycohydrolase ARH3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Wang, M, Yuan, Z, Ma, Y, Wang, J, Liu, X. | Deposit date: | 2018-04-20 | Release date: | 2018-08-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.577 Å) | Cite: | Structure-function analyses reveal the mechanism of the ARH3-dependent hydrolysis of ADP-ribosylation. J. Biol. Chem., 293, 2018
|
|
5WQE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wqe by Molmil](/molmil-images/mine/5wqe) | |
5FEJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fej by Molmil](/molmil-images/mine/5fej) | CopM in the Cu(I)-bound form | Descriptor: | COPPER (I) ION, CopM | Authors: | Zhao, S, Wang, X, Liu, L. | Deposit date: | 2015-12-17 | Release date: | 2016-09-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM. Acta Crystallogr D Struct Biol, 72, 2016
|
|
5FFA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ffa by Molmil](/molmil-images/mine/5ffa) | |
6EIV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eiv by Molmil](/molmil-images/mine/6eiv) | DYRK1A in complex with JWD-065 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide | Authors: | Rothweiler, U. | Deposit date: | 2017-09-19 | Release date: | 2018-08-29 | Last modified: | 2018-09-26 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
|
|
6EIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eiq by Molmil](/molmil-images/mine/6eiq) | DYRK1A in complex with XMD14-124 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, [4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone | Authors: | Rothweiler, U. | Deposit date: | 2017-09-19 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
|
|