4WVL
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4wvl by Molmil](/molmil-images/mine/4wvl) | Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Xu, X, Dhe-Paganon, S, Blacklow, S. | Deposit date: | 2014-11-06 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement. Acs Chem.Biol., 10, 2015
|
|
5WY0
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5wy0 by Molmil](/molmil-images/mine/5wy0) | Crystal structure of the methyltranferase domain of human HEN1 in complex with AdoMet | Descriptor: | S-ADENOSYLMETHIONINE, Small RNA 2'-O-methyltransferase | Authors: | Peng, L, Ma, J.B, Wu, L.G, Huang, Y. | Deposit date: | 2017-01-10 | Release date: | 2018-01-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Identification of substrates of the small RNA methyltransferase Hen1 in mouse spermatogonial stem cells and analysis of its methyl-transfer domain J. Biol. Chem., 293, 2018
|
|
6M1V
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6m1v by Molmil](/molmil-images/mine/6m1v) | |
7P32
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7p32 by Molmil](/molmil-images/mine/7p32) | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 6 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G. | Deposit date: | 2021-07-06 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | 1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease. J.Am.Chem.Soc., 144, 2022
|
|
7P2Z
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7p2z by Molmil](/molmil-images/mine/7p2z) | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 4 | Descriptor: | (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G. | Deposit date: | 2021-07-06 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease. J.Am.Chem.Soc., 144, 2022
|
|
4RME
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4rme by Molmil](/molmil-images/mine/4rme) | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB111 and coactivator peptide GRIP-1 | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Xia, G, Muccio, D.D. | Deposit date: | 2014-10-21 | Release date: | 2015-09-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers. J.Med.Chem., 58, 2015
|
|
4RMD
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4rmd by Molmil](/molmil-images/mine/4rmd) | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB110 and coactivator peptide GRIP-1 | Descriptor: | (2E,4E,6Z,8E)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Xia, G, Muccio, D.D. | Deposit date: | 2014-10-21 | Release date: | 2015-09-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers. J.Med.Chem., 58, 2015
|
|
4RMC
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4rmc by Molmil](/molmil-images/mine/4rmc) | Crystal Structure of human retinoid X receptor alpha-ligand binding domain complex with 9cUAB76 and the coactivator peptide GRIP-1 | Descriptor: | (3S,7S,8E)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Xia, G, Muccio, D.D. | Deposit date: | 2014-10-21 | Release date: | 2015-09-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers. J.Med.Chem., 58, 2015
|
|
4DMN
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4dmn by Molmil](/molmil-images/mine/4dmn) | HIV-1 Integrase Catalytical Core Domain | Descriptor: | (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, ARSENIC, HIV-1 Integrase, ... | Authors: | Feng, L, Kvaratskhelia, M. | Deposit date: | 2012-02-08 | Release date: | 2012-03-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Multimode, cooperative mechanism of action of allosteric HIV-1 integrase inhibitors. J.Biol.Chem., 287, 2012
|
|
4GLR
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4glr by Molmil](/molmil-images/mine/4glr) | Structure of the anti-ptau Fab (pT231/pS235_1) in complex with phosphoepitope pT231/pS235 | Descriptor: | PHOSPHATE ION, anti-ptau heavy chain, anti-ptau light chain, ... | Authors: | Tu, C, Mosyak, L, Bard, J. | Deposit date: | 2012-08-14 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An Ultra-specific Avian Antibody to Phosphorylated Tau Protein Reveals a Unique Mechanism for Phosphoepitope Recognition. J.Biol.Chem., 287, 2012
|
|
6AJH
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6ajh by Molmil](/molmil-images/mine/6ajh) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with AU1235 | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea, Drug exporters of the RND superfamily-like protein,Endolysin, ... | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | Deposit date: | 2018-08-27 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.818 Å) | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
|
|
5BK8
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5bk8 by Molmil](/molmil-images/mine/5bk8) | Cancer-associated SHP2/T507K mutant | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Yu, Z.H, Zhang, R.Y, Zhang, Z.Y. | Deposit date: | 2019-06-01 | Release date: | 2020-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanistic insights explain the transforming potential of the T507K substitution in the protein-tyrosine phosphatase SHP2. J.Biol.Chem., 295, 2020
|
|
6AJI
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6aji by Molmil](/molmil-images/mine/6aji) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ... | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | Deposit date: | 2018-08-27 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
|
|
8HSC
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8hsc by Molmil](/molmil-images/mine/8hsc) | Gi bound Orphan GPR20 complex with Fab046 in ligand-free state | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Lin, X, Jiang, S, Xu, F. | Deposit date: | 2022-12-19 | Release date: | 2023-03-08 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | The activation mechanism and antibody binding mode for orphan GPR20. Cell Discov, 9, 2023
|
|
8HS3
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8hs3 by Molmil](/molmil-images/mine/8hs3) | Gi bound orphan GPR20 in ligand-free state | Descriptor: | Ggama, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Lin, X, Jiang, S, Xu, F. | Deposit date: | 2022-12-16 | Release date: | 2023-03-08 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | The activation mechanism and antibody binding mode for orphan GPR20. Cell Discov, 9, 2023
|
|
8HJ2
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8hj2 by Molmil](/molmil-images/mine/8hj2) | GPR21 wt with G15 complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Chen, B, Lin, X, Xu, F. | Deposit date: | 2022-11-22 | Release date: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of orphan GPR21 signaling complexes. Nat Commun, 14, 2023
|
|
8HJ0
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8hj0 by Molmil](/molmil-images/mine/8hj0) | GPR21(m5) and G15 complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Chen, B, Lin, X. | Deposit date: | 2022-11-22 | Release date: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Cryo-EM structures of orphan GPR21 signaling complexes. Nat Commun, 14, 2023
|
|
8HIX
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8hix by Molmil](/molmil-images/mine/8hix) | Cryo-EM structure of GPR21_m5_Gs | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Chen, B, Lin, X, Xu, F. | Deposit date: | 2022-11-22 | Release date: | 2023-03-15 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Cryo-EM structures of orphan GPR21 signaling complexes. Nat Commun, 14, 2023
|
|
8HS2
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8hs2 by Molmil](/molmil-images/mine/8hs2) | Orphan GPR20 in complex with Fab046 | Descriptor: | Light chain of Fab046, Soluble cytochrome b562,G-protein coupled receptor 20, heavy chain of Fab046 | Authors: | Lin, X, Jiang, S, Xu, F. | Deposit date: | 2022-12-16 | Release date: | 2023-03-08 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | The activation mechanism and antibody binding mode for orphan GPR20. Cell Discov, 9, 2023
|
|
1VHN
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1vhn by Molmil](/molmil-images/mine/1vhn) | |
3K1R
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3k1r by Molmil](/molmil-images/mine/3k1r) | |
3V9R
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3v9r by Molmil](/molmil-images/mine/3v9r) | Crystal structure of Saccharomyces cerevisiae MHF complex | Descriptor: | SULFATE ION, Uncharacterized protein YDL160C-A, Uncharacterized protein YOL086W-A | Authors: | Yang, H, Zhang, T, Zhong, C, Li, H, Zhou, J, Ding, J. | Deposit date: | 2011-12-28 | Release date: | 2012-02-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Saccharomyces Cerevisiae MHF Complex Structurally Resembles the Histones (H3-H4)(2) Heterotetramer and Functions as a Heterotetramer Structure, 20, 2012
|
|
5LSH
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5lsh by Molmil](/molmil-images/mine/5lsh) | human lysozyme in complex with a tetrasaccharide fragment of the O-chain of LPS from Klebsiella pneumoniae | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Zhang, R, Nifantiev, N.E, Krylov, V, Luetteke, T, Scheidig, A.J, Siebert, H.-C. | Deposit date: | 2016-08-26 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.061 Å) | Cite: | Lysozyme's lectin-like characteristics facilitates its immune defense function. Q. Rev. Biophys., 50, 2017
|
|
7UW6
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7uw6 by Molmil](/molmil-images/mine/7uw6) | The co-crystal structure of low molecular weight protein tyrosine phosphatase (LMW-PTP) with a small molecule inhibitor SPAA-2 | Descriptor: | 2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid, Low molecular weight phosphotyrosine protein phosphatase | Authors: | Wang, J, Zhang, Z.Y. | Deposit date: | 2022-05-02 | Release date: | 2022-10-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Based Design of Active-Site-Directed, Highly Potent, Selective, and Orally Bioavailable Low-Molecular-Weight Protein Tyrosine Phosphatase Inhibitors. J.Med.Chem., 65, 2022
|
|
8GRY
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8gry by Molmil](/molmil-images/mine/8gry) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with rat ACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ... | Authors: | Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F. | Deposit date: | 2022-09-03 | Release date: | 2023-07-19 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
|
|