7VUA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vua by Molmil](/molmil-images/mine/7vua) | Anaerobic hydroxyproline degradation involving C-N cleavage by a glycyl radical enzyme | Descriptor: | (4S)-4-hydroxy-D-proline, HplG | Authors: | Duan, Y, Lu, Q, Yuchi, Z, Zhang, Y. | Deposit date: | 2021-11-01 | Release date: | 2022-06-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.695 Å) | Cite: | Anaerobic Hydroxyproline Degradation Involving C-N Cleavage by a Glycyl Radical Enzyme. J.Am.Chem.Soc., 144, 2022
|
|
8X1V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8x1v by Molmil](/molmil-images/mine/8x1v) | |
8VY9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vy9 by Molmil](/molmil-images/mine/8vy9) | CryoEM structure of Ggust-coupled TAS2R14 with cholesterol and an intracellular tastant | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Kim, Y, Gumpper, R.H, Roth, B.L. | Deposit date: | 2024-02-07 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Bitter taste receptor activation by cholesterol and an intracellular tastant. Nature, 628, 2024
|
|
8VY7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vy7 by Molmil](/molmil-images/mine/8vy7) | CryoEM structure of Gi-coupled TAS2R14 with cholesterol and an intracellular tastant | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Kim, Y, Gumpper, R.H, Roth, B.L. | Deposit date: | 2024-02-07 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Bitter taste receptor activation by cholesterol and an intracellular tastant. Nature, 628, 2024
|
|
6NCL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ncl by Molmil](/molmil-images/mine/6ncl) | |
6NQD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nqd by Molmil](/molmil-images/mine/6nqd) | |
6V2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v2h by Molmil](/molmil-images/mine/6v2h) | Crystal structure of CDYL2 in complex with H3tK27me3 | Descriptor: | Chromodomain Y-like protein 2, H3tK27me3, NICKEL (II) ION, ... | Authors: | Dong, C, Tempel, W, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-11-22 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
|
|
6V3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v3n by Molmil](/molmil-images/mine/6v3n) | Crystal structure of CDYL2 in complex with H3K27me3 | Descriptor: | ACE-GLN-LEU-ALA-THR-LYS-ALA-ALA-ARG-M3L-SER-ALA-PRO-ALA-THR-TYR-NH2, Chromodomain Y-like protein 2, UNKNOWN ATOM OR ION | Authors: | Qin, S, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2019-11-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
|
|
7N4S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n4s by Molmil](/molmil-images/mine/7n4s) | Bruton's tyrosine kinase in complex with compound 65 | Descriptor: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-06-04 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
|
|
7N4R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n4r by Molmil](/molmil-images/mine/7n4r) | Bruton's tyrosine kinase in complex with compound 21 | Descriptor: | DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-06-04 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
|
|
7N4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n4q by Molmil](/molmil-images/mine/7n4q) | Bruton's tyrosine kinase in complex with compound 45 | Descriptor: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-06-04 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
|
|
6V41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v41 by Molmil](/molmil-images/mine/6v41) | crystal structure of CDY1 chromodomain bound to H3K9me3 | Descriptor: | Histone H3.1 Peptide, Testis-specific chromodomain protein Y 1, UNKNOWN ATOM OR ION | Authors: | Qin, S, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2019-11-27 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
|
|
6V8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v8w by Molmil](/molmil-images/mine/6v8w) | CDYL2 chromodomain in complex with a synthetic peptide | Descriptor: | Chromodomain Y-like protein 2, IVA-PHE-ALA-PHE-5T3-SER-NH2, UNKNOWN ATOM OR ION | Authors: | Dong, C, Tempel, W, James, L.I, Lamb, K.N, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-12 | Release date: | 2020-01-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
|
|
8X6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8x6v by Molmil](/molmil-images/mine/8x6v) | Crystal structure of GlacPETase | Descriptor: | GlacPETase | Authors: | Qi, X, Zhou, N.Y. | Deposit date: | 2023-11-22 | Release date: | 2024-02-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | The unique salt bridge network in GlacPETase: a key to its stability. Appl.Environ.Microbiol., 90, 2024
|
|
5OR0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5or0 by Molmil](/molmil-images/mine/5or0) | |
4G42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g42 by Molmil](/molmil-images/mine/4g42) | Structure of the Chicken MHC Class I Molecule BF2*0401 complexed to pepitde P8D | Descriptor: | 8-MERIC PEPTIDE P8D, Beta-2 microglobulin, MHC class I alpha chain 2 | Authors: | Zhang, J, Chen, Y, Qi, J, Gao, F, Liu, J, Kaufman, J, Xia, C, Gao, G.F. | Deposit date: | 2012-07-16 | Release date: | 2012-11-21 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens. J.Immunol., 189, 2012
|
|
4G43
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g43 by Molmil](/molmil-images/mine/4g43) | Structure of the chicken MHC class I molecule BF2*0401 complexed to P5E | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 8-MERIC PEPTIDE P5E, Beta-2 microglobulin, ... | Authors: | Zhang, J, Chen, Y, Qi, J, Gao, F, Liu, J, Kaufman, J, Xia, C, Gao, G.F. | Deposit date: | 2012-07-16 | Release date: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens. J.Immunol., 189, 2012
|
|
5OXE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oxe by Molmil](/molmil-images/mine/5oxe) | |
5GUT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gut by Molmil](/molmil-images/mine/5gut) | The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A | Descriptor: | DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Chen, S.J, Ye, F. | Deposit date: | 2016-08-31 | Release date: | 2017-09-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1. ACS Chem. Biol., 13, 2018
|
|
5NP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5np7 by Molmil](/molmil-images/mine/5np7) | |
5GUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5guv by Molmil](/molmil-images/mine/5guv) | The crystal structure of mouse DNMT1 (731-1602) mutant - R1279D | Descriptor: | DNA (cytosine-5)-methyltransferase 1, ZINC ION | Authors: | Ye, F, Chen, S.J. | Deposit date: | 2016-08-31 | Release date: | 2017-08-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.078 Å) | Cite: | Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1. ACS Chem. Biol., 13, 2018
|
|
3N9M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3n9m by Molmil](/molmil-images/mine/3n9m) | ceKDM7A from C.elegans, alone | Descriptor: | FE (II) ION, Putative uncharacterized protein, ZINC ION | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
|
|
3N9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3n9p by Molmil](/molmil-images/mine/3n9p) | ceKDM7A from C.elegans, complex with H3K4me3K27me2 peptide and NOG | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.388 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
|
|
8GUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gue by Molmil](/molmil-images/mine/8gue) | Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ... | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | Deposit date: | 2022-09-11 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids. Nat Commun, 14, 2023
|
|
8H6T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h6t by Molmil](/molmil-images/mine/8h6t) | Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor | Descriptor: | (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Ren, X. | Deposit date: | 2022-10-18 | Release date: | 2023-02-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design. Acs Med.Chem.Lett., 14, 2023
|
|