6EJZ
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![BU of 6ejz by Molmil](/molmil-images/mine/6ejz) | Tryptophan Repressor TrpR from E.coli variant S88Y with Indole-3-acetic acid as ligand | Descriptor: | 1,2-ETHANEDIOL, 1H-INDOL-3-YLACETIC ACID, SULFATE ION, ... | Authors: | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | Deposit date: | 2017-09-24 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A biosensor for the direct visualization of auxin Nature, 2021
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8FAE
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![BU of 8fae by Molmil](/molmil-images/mine/8fae) | Asymmetric structure of cleaved HIV-1 AE2 envelope glycoprotein trimer in styrene-maleic acid lipid nanoparticles (AE2.1) | Descriptor: | 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, K, Zhang, S, Sodroski, J, Mao, Y. | Deposit date: | 2022-11-26 | Release date: | 2023-06-07 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Asymmetric conformations of cleaved HIV-1 envelope glycoprotein trimers in styrene-maleic acid lipid nanoparticles. Commun Biol, 6, 2023
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8FAD
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![BU of 8fad by Molmil](/molmil-images/mine/8fad) | Asymmetric structure of cleaved HIV-1 AD8 envelope glycoprotein trimer in styrene-maleic acid lipid nanoparticles | Descriptor: | 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, K, Zhang, S, Sodroski, J, Mao, Y. | Deposit date: | 2022-11-26 | Release date: | 2023-06-07 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Asymmetric conformations of cleaved HIV-1 envelope glycoprotein trimers in styrene-maleic acid lipid nanoparticles. Commun Biol, 6, 2023
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6RS9
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![BU of 6rs9 by Molmil](/molmil-images/mine/6rs9) | X-ray crystal structure of LsAA9B (xylotetraose soak) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AA9, BICINE, ... | Authors: | Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2019-05-21 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases. J.Biol.Chem., 294, 2019
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1YKR
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![BU of 1ykr by Molmil](/molmil-images/mine/1ykr) | Crystal structure of cdk2 with an aminoimidazo pyridine inhibitor | Descriptor: | 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE, Cell division protein kinase 2 | Authors: | Hamdouchi, C, Zhong, B, Mendoza, J, Jaramillo, C, Zhang, F, Brooks, H.B. | Deposit date: | 2005-01-18 | Release date: | 2006-01-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases Bioorg.Med.Chem.Lett., 15, 2005
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6S75
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![BU of 6s75 by Molmil](/molmil-images/mine/6s75) | Crystal structure of Nek7 bound to compound 51 | Descriptor: | 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, Serine/threonine-protein kinase Nek7 | Authors: | Nasir, N, Bayliss, R. | Deposit date: | 2019-07-04 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine. Biochem.J., 477, 2020
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4O1B
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![BU of 4o1b by Molmil](/molmil-images/mine/4o1b) | The crystal structure of a mutant NAMPT (G217R) in complex with an inhibitor APO866 | Descriptor: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | Deposit date: | 2013-12-15 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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6S51
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![BU of 6s51 by Molmil](/molmil-images/mine/6s51) | The crystal structure of glycogen phosphorylase in complex with 10 | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-06-29 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
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6RFF
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![BU of 6rff by Molmil](/molmil-images/mine/6rff) | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 7 | Descriptor: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | Authors: | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | Deposit date: | 2019-04-14 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
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6DEQ
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![BU of 6deq by Molmil](/molmil-images/mine/6deq) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide penoxsulam | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, Acetolactate synthase, ... | Authors: | Garcia, M.D, Guddat, L.W. | Deposit date: | 2018-05-12 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.127 Å) | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3I3S
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![BU of 3i3s by Molmil](/molmil-images/mine/3i3s) | Crystal Structure of H-Ras with Thr50 replaced by Isoleucine | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Gremer, L, Dvorsky, R, Merbitz-Zahradnik, T, Wittinghofer, A, Ahmadian, M.R. | Deposit date: | 2009-06-30 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A restricted spectrum of NRAS mutations causes Noonan syndrome. Nat.Genet., 42, 2010
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4O1D
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![BU of 4o1d by Molmil](/molmil-images/mine/4o1d) | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | Descriptor: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | Deposit date: | 2013-12-15 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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3I6N
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![BU of 3i6n by Molmil](/molmil-images/mine/3i6n) | Mode of Binding of the Tuberculosis Prodrug Isoniazid to Peroxidases: Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 Resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIAZENYLCARBONYL)PYRIDINE, CALCIUM ION, ... | Authors: | Singh, A.K, Kumar, R.P, Pandey, N, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2009-07-07 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mode of binding of the tuberculosis prodrug isoniazid to heme peroxidases: binding studies and crystal structure of bovine lactoperoxidase with isoniazid at 2.7 A resolution. J.Biol.Chem., 285, 2010
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4PL5
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![BU of 4pl5 by Molmil](/molmil-images/mine/4pl5) | Crystal structure of murine IRE1 in complex with OICR573 inhibitor | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F. | Deposit date: | 2014-05-16 | Release date: | 2014-09-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors. Nat Commun, 5, 2014
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8G9S
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![BU of 8g9s by Molmil](/molmil-images/mine/8g9s) | Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications | Descriptor: | AcrIC8, Cas11, Cas5, ... | Authors: | Hu, C, Nam, K.H, Ke, A. | Deposit date: | 2023-02-22 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications. Mol.Cell, 84, 2024
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8G9T
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![BU of 8g9t by Molmil](/molmil-images/mine/8g9t) | Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications | Descriptor: | AcrIC9, Cas11, Cas5, ... | Authors: | Hu, C, Nam, K.H, Ke, A. | Deposit date: | 2023-02-22 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications. Mol.Cell, 84, 2024
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8G9U
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![BU of 8g9u by Molmil](/molmil-images/mine/8g9u) | Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications | Descriptor: | CRISPR-associated protein, Csd1 family, Csd2 family, ... | Authors: | Hu, C, Nam, K.H, Ke, A. | Deposit date: | 2023-02-22 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications. Mol.Cell, 84, 2024
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8GAF
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![BU of 8gaf by Molmil](/molmil-images/mine/8gaf) | Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications | Descriptor: | Cas11, Cas5, Cas7, ... | Authors: | Hu, C, Nam, K.H, Ke, A. | Deposit date: | 2023-02-22 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications. Mol.Cell, 84, 2024
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8GAM
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![BU of 8gam by Molmil](/molmil-images/mine/8gam) | Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications | Descriptor: | Cas11, Cas5, Cas7, ... | Authors: | Hu, C, Nam, K.H, Ke, A. | Deposit date: | 2023-02-23 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications. Mol.Cell, 84, 2024
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8GAN
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![BU of 8gan by Molmil](/molmil-images/mine/8gan) | Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications | Descriptor: | Cas11, Cas5, Cas7, ... | Authors: | Hu, C, Nam, K.H, Ke, A. | Deposit date: | 2023-02-23 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications. Mol.Cell, 84, 2024
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6S4H
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![BU of 6s4h by Molmil](/molmil-images/mine/6s4h) | The crystal structure of glycogen phosphorylase in complex with 8 | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-06-28 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
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6S52
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![BU of 6s52 by Molmil](/molmil-images/mine/6s52) | The crystal structure of glycogen phosphorylase in complex with 14 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-06-29 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
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1VQR
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![BU of 1vqr by Molmil](/molmil-images/mine/1vqr) | |
1VPZ
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![BU of 1vpz by Molmil](/molmil-images/mine/1vpz) | |
1VR8
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![BU of 1vr8 by Molmil](/molmil-images/mine/1vr8) | |