8SAI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sai by Molmil](/molmil-images/mine/8sai) | Cryo-EM structure of GPR34-Gi 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(i) subunit alpha-1, ... | Authors: | Yong, X.H, Zhao, C, Yan, W, Shao, Z.H. | Deposit date: | 2023-04-01 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Cryo-EM structures of human GPR34 enable the identification of selective antagonists. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7OOM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oom by Molmil](/molmil-images/mine/7oom) | |
9AZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9azx by Molmil](/molmil-images/mine/9azx) | Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with NDPr | Descriptor: | Non-structural protein 3, {(2R,3S,4R,5R)-5-[(8S)-4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-cyano-3,4-dihydroxyoxolan-2-yl}methyl [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate | Authors: | Wallace, S.D, Bagde, S.R, Fromme, J.C. | Deposit date: | 2024-03-11 | Release date: | 2024-05-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.395 Å) | Cite: | GS-441524-Diphosphate-Ribose Derivatives as Nanomolar Binders and Fluorescence Polarization Tracers for SARS-CoV-2 and Other Viral Macrodomains. Acs Chem.Biol., 19, 2024
|
|
4Z0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z0c by Molmil](/molmil-images/mine/4z0c) | Crystal structure of TLR13-ssRNA13 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-R(P*AP*CP*GP*GP*AP*AP*AP*GP*AP*CP*CP*CP*C)-3'), ... | Authors: | Song, W, Han, Z, Chai, J. | Deposit date: | 2015-03-26 | Release date: | 2015-10-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for specific recognition of single-stranded RNA by Toll-like receptor 13 Nat.Struct.Mol.Biol., 22, 2015
|
|
6DQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dqb by Molmil](/molmil-images/mine/6dqb) | LINKED KDM5A JMJ DOMAIN FORMING COVALENT BOND TO INHIBITOR N71 i.e. 2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | Descriptor: | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.791 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
|
|
6DQ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dq8 by Molmil](/molmil-images/mine/6dq8) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
|
|
6DQ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dq6 by Molmil](/molmil-images/mine/6dq6) | |
6DQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dqa by Molmil](/molmil-images/mine/6dqa) | Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid] | Descriptor: | 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.888 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
|
|
6DQ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dq4 by Molmil](/molmil-images/mine/6dq4) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1 | Descriptor: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.392 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
|
|
4K0B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k0b by Molmil](/molmil-images/mine/4k0b) | Crystal structure of S-Adenosylmethionine synthetase from Sulfolobus solfataricus complexed with SAM and PPi | Descriptor: | DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Wang, F, Hurley, K.A, Helmich, K.E, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2013-04-03 | Release date: | 2013-05-01 | Last modified: | 2014-10-08 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Understanding molecular recognition of promiscuity of thermophilic methionine adenosyltransferase sMAT from Sulfolobus solfataricus. Febs J., 281, 2014
|
|
6DQF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dqf by Molmil](/molmil-images/mine/6dqf) | |
6DQC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dqc by Molmil](/molmil-images/mine/6dqc) | |
6DQ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dq7 by Molmil](/molmil-images/mine/6dq7) | |
2B96
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b96 by Molmil](/molmil-images/mine/2b96) | Third Calcium ion found in an inhibitor bound phospholipase A2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-METHOXYBENZOIC ACID, CALCIUM ION, ... | Authors: | Sekar, K, Velmurugan, D, Yamane, T, Tsai, M.D. | Deposit date: | 2005-10-11 | Release date: | 2006-03-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Third Calcium ion found in an inhibitor bound phospholipase A2 Acta Crystallogr.,Sect.D, 62, 2006
|
|
5XJO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xjo by Molmil](/molmil-images/mine/5xjo) | Plant receptor ERL1-TMM in complex with peptide EPF1 | Descriptor: | LRR receptor-like serine/threonine-protein kinase ERL1, Protein EPIDERMAL PATTERNING FACTOR 1, Protein TOO MANY MOUTHS | Authors: | Chai, J, Lin, G, Zhang, L, Han, Z, Shpak, E.D, Yang, X. | Deposit date: | 2017-05-03 | Release date: | 2019-01-23 | Method: | X-RAY DIFFRACTION (2.626 Å) | Cite: | A receptor-like protein acts as a specificity switch for the regulation of stomatal development. Genes Dev., 31, 2017
|
|
4Z62
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z62 by Molmil](/molmil-images/mine/4z62) | The plant peptide hormone free receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine receptor 1 | Authors: | Chai, J, Wang, J, Han, Z. | Deposit date: | 2015-04-03 | Release date: | 2016-03-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine Nature, 525, 2015
|
|
4Z5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z5w by Molmil](/molmil-images/mine/4z5w) | The plant peptide hormone receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, ... | Authors: | Chai, J, Wang, J, Han, Z. | Deposit date: | 2015-04-03 | Release date: | 2016-03-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine Nature, 525, 2015
|
|
4Z64
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z64 by Molmil](/molmil-images/mine/4z64) | the plant peptide hormone receptor complex in arabidopsis | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, ... | Authors: | Chai, J, Wang, J, Han, Z. | Deposit date: | 2015-04-03 | Release date: | 2016-03-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.659 Å) | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine Nature, 525, 2015
|
|
4Z63
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z63 by Molmil](/molmil-images/mine/4z63) | The plant peptide hormone receptor in arabidopsis | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, Phytosulfokine receptor 1 | Authors: | Chai, J, Wang, J, Han, Z. | Deposit date: | 2015-04-03 | Release date: | 2016-03-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.514 Å) | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine Nature, 525, 2015
|
|
2MHJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mhj by Molmil](/molmil-images/mine/2mhj) | |
9BRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9brv by Molmil](/molmil-images/mine/9brv) | |
9BRX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9brx by Molmil](/molmil-images/mine/9brx) | SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 10 | Descriptor: | (4R)-N-(2,4-dimethylphenyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-amine, Papain-like protease nsp3, SULFATE ION, ... | Authors: | Amporndanai, K, Zhao, B, Fesik, S.W. | Deposit date: | 2024-05-11 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PLpro) Acs Med.Chem.Lett., 2024
|
|
9BRW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9brw by Molmil](/molmil-images/mine/9brw) | SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 7 | Descriptor: | CHLORIDE ION, N-(2-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Papain-like protease nsp3, ... | Authors: | Amporndanai, K, Zhao, B, Fesik, S.W. | Deposit date: | 2024-05-11 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PLpro) Acs Med.Chem.Lett., 2024
|
|
8GBN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gbn by Molmil](/molmil-images/mine/8gbn) | Structure of Apo Human SIRT5 P114T Mutant | Descriptor: | 1,2-ETHANEDIOL, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2023-02-26 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice. Iscience, 27, 2024
|
|
8GBL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gbl by Molmil](/molmil-images/mine/8gbl) | Structure of Apo Human SIRT5 | Descriptor: | NAD-dependent protein deacylase sirtuin-5, mitochondrial, ZINC ION | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2023-02-26 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice. Iscience, 27, 2024
|
|