5WDO
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![BU of 5wdo by Molmil](/molmil-images/mine/5wdo) | H-Ras bound to GMP-PNP at 277K | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J. | Deposit date: | 2017-07-05 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
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1DEG
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![BU of 1deg by Molmil](/molmil-images/mine/1deg) | THE LINKER OF DES-GLU84 CALMODULIN IS BENT AS SEEN IN THE CRYSTAL STRUCTURE | Descriptor: | CALCIUM ION, CALMODULIN | Authors: | Raghunathan, S, Chandross, R, Cheng, B.P, Persechini, A, Sobottk, S.E, Kretsinger, R.H. | Deposit date: | 1993-06-07 | Release date: | 1994-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The linker of des-Glu84-calmodulin is bent. Proc.Natl.Acad.Sci.Usa, 90, 1993
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1F12
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![BU of 1f12 by Molmil](/molmil-images/mine/1f12) | L-3-HYDROXYACYL-COA DEHYDROGENASE COMPLEXED WITH 3-HYDROXYBUTYRYL-COA | Descriptor: | 3-HYDROXYBUTANOYL-COENZYME A, L-3-HYDROXYACYL-COA DEHYDROGENASE | Authors: | Barycki, J.J, O'Brien, L.K, Strauss, A.W, Banaszak, L.J. | Deposit date: | 2000-05-18 | Release date: | 2000-09-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Sequestration of the active site by interdomain shifting. Crystallographic and spectroscopic evidence for distinct conformations of L-3-hydroxyacyl-CoA dehydrogenase. J.Biol.Chem., 275, 2000
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5WDS
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![BU of 5wds by Molmil](/molmil-images/mine/5wds) | Choanoflagellate Salpingoeca rosetta Ras with GDP bound | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kondo, Y, Gee, C.L, Kuriyan, J. | Deposit date: | 2017-07-05 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
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3BV2
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![BU of 3bv2 by Molmil](/molmil-images/mine/3bv2) | Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30 | Descriptor: | 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2008-01-04 | Release date: | 2008-04-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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4G2Y
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![BU of 4g2y by Molmil](/molmil-images/mine/4g2y) | Crystal structure of PDE5A complexed with its inhibitor | Descriptor: | 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-07-13 | Release date: | 2013-06-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. J.Med.Chem., 55, 2012
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5WDQ
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![BU of 5wdq by Molmil](/molmil-images/mine/5wdq) | H-Ras mutant L120A bound to GMP-PNP at 100K | Descriptor: | ACETATE ION, CALCIUM ION, GTPase HRas, ... | Authors: | Bandaru, P, Gee, C.L, Kuriyan, J. | Deposit date: | 2017-07-05 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
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3BV3
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![BU of 3bv3 by Molmil](/molmil-images/mine/3bv3) | Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2 | Descriptor: | 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2008-01-04 | Release date: | 2008-04-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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2F8B
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![BU of 2f8b by Molmil](/molmil-images/mine/2f8b) | |
4G2W
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![BU of 4g2w by Molmil](/molmil-images/mine/4g2w) | Crystal structure of PDE5A in complex with its inhibitor | Descriptor: | 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-07-13 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. J.Med.Chem., 55, 2012
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1OQD
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![BU of 1oqd by Molmil](/molmil-images/mine/1oqd) | Crystal structure of sTALL-1 and BCMA | Descriptor: | Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 17 | Authors: | Zhang, G. | Deposit date: | 2003-03-07 | Release date: | 2003-05-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Ligand-receptor binding revealed by the TNF family member TALL-1. Nature, 423, 2003
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1OQE
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![BU of 1oqe by Molmil](/molmil-images/mine/1oqe) | Crystal structure of sTALL-1 with BAFF-R | Descriptor: | Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 13C | Authors: | Zhang, G. | Deposit date: | 2003-03-07 | Release date: | 2003-05-13 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ligand-receptor binding revealed by the TNF family member TALL-1. Nature, 423, 2003
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2EWL
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![BU of 2ewl by Molmil](/molmil-images/mine/2ewl) | |
6KIA
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![BU of 6kia by Molmil](/molmil-images/mine/6kia) | |
6KI9
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![BU of 6ki9 by Molmil](/molmil-images/mine/6ki9) | Apo structure of FabMG, novel types of Enoyl-acyl carrier protein reductase | Descriptor: | 1,2-ETHANEDIOL, FabMG, novel types of Enoyl-acyl carrier protein reductase, ... | Authors: | Kim, S, Rhee, S. | Deposit date: | 2019-07-17 | Release date: | 2020-05-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A triclosan-resistance protein from the soil metagenome is a novel enoyl-acyl carrier protein reductase: Structure-guided functional analysis. Febs J., 287, 2020
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5J94
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![BU of 5j94 by Molmil](/molmil-images/mine/5j94) | Human cathepsin K mutant C25S in complex with the allosteric effector NSC13345 | Descriptor: | 2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid, Cathepsin K, SULFATE ION | Authors: | Novinec, M, Korenc, M, Lenarcic, B, Baici, A. | Deposit date: | 2016-04-08 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22002459 Å) | Cite: | A novel allosteric mechanism in the cysteine peptidase cathepsin K discovered by computational methods. Nat Commun, 5, 2014
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7RAR
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![BU of 7rar by Molmil](/molmil-images/mine/7rar) | |
7VYQ
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![BU of 7vyq by Molmil](/molmil-images/mine/7vyq) | Short chain dehydrogenase (SCR) cryoEM structure with NADP and ethyl 4-chloroacetoacetate | Descriptor: | Carbonyl Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ethyl 4-chloranyl-3-oxidanylidene-butanoate | Authors: | Li, Y.H, Zhang, R.Z, Wang, C, Forouhar, F, Clarke, O, Vorobiev, S, Singh, S, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2021-11-15 | Release date: | 2022-04-06 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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7RJ2
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![BU of 7rj2 by Molmil](/molmil-images/mine/7rj2) | |
7RJ4
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![BU of 7rj4 by Molmil](/molmil-images/mine/7rj4) | |
2JYM
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![BU of 2jym by Molmil](/molmil-images/mine/2jym) | |
7RHN
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![BU of 7rhn by Molmil](/molmil-images/mine/7rhn) | |
7RHM
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![BU of 7rhm by Molmil](/molmil-images/mine/7rhm) | |
7RMJ
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![BU of 7rmj by Molmil](/molmil-images/mine/7rmj) | Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor (S)-N-(1-(3-(4-chloro-3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide | Descriptor: | CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION, ... | Authors: | Bester, S.M, Kvaratskhelia, M. | Deposit date: | 2021-07-27 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir. Mbio, 13, 2022
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7RMM
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![BU of 7rmm by Molmil](/molmil-images/mine/7rmm) | |