4HWI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hwi by Molmil](/molmil-images/mine/4hwi) | Crystal structure of ATBAG1 in complex with HSP70 | Descriptor: | BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein | Authors: | Shen, Y, Fang, S. | Deposit date: | 2012-11-07 | Release date: | 2013-05-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.273 Å) | Cite: | Structural insight into plant programmed cell death mediated by BAG proteins in Arabidopsis thaliana. Acta Crystallogr.,Sect.D, 69, 2013
|
|
4HWD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hwd by Molmil](/molmil-images/mine/4hwd) | Crystal structure of ATBAG2 | Descriptor: | BAG family molecular chaperone regulator 2 | Authors: | Shen, Y, Fang, S. | Deposit date: | 2012-11-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.312 Å) | Cite: | Structural insight into plant programmed cell death mediated by BAG proteins in Arabidopsis thaliana. Acta Crystallogr.,Sect.D, 69, 2013
|
|
7F46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f46 by Molmil](/molmil-images/mine/7f46) | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab (state1, local refinement of the RBD, NTD and 35B5 Fab) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ... | Authors: | Wang, X.F, Zhu, Y.Q. | Deposit date: | 2021-06-17 | Release date: | 2022-03-23 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (4.79 Å) | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD Signal Transduct Target Ther, 7, 2022
|
|
2MT4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mt4 by Molmil](/molmil-images/mine/2mt4) | |
8HNW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hnw by Molmil](/molmil-images/mine/8hnw) | Crystal structure of HpaCas9-sgRNA surveillance complex bound to double-stranded DNA | Descriptor: | CRISPR-associated endonuclease Cas9, Non-target strand, Target strand, ... | Authors: | Sun, W, Cheng, Z, Wang, Y. | Deposit date: | 2022-12-08 | Release date: | 2023-07-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8HNT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hnt by Molmil](/molmil-images/mine/8hnt) | |
7D6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d6v by Molmil](/molmil-images/mine/7d6v) | Mycobacterium smegmatis Sdh1 in complex with UQ1 | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Zhou, X, Gao, Y, Wang, Q, Gong, H, Rao, Z. | Deposit date: | 2020-10-02 | Release date: | 2021-04-07 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.53 Å) | Cite: | Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded Rieske FeS cluster. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7D6X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d6x by Molmil](/molmil-images/mine/7d6x) | Mycobacterium smegmatis Sdh1 complex in the apo form | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Zhou, X, Gao, Y, Wang, Q, Gong, H, Rao, Z. | Deposit date: | 2020-10-02 | Release date: | 2021-04-07 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded Rieske FeS cluster. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
2OC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oc8 by Molmil](/molmil-images/mine/2oc8) | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R.S, Arasappan, A, Bennett, F, Bogen, S.L, Chen, K, Jao, E, Liu, Y.T, Lovey, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-20 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
|
|
8JM9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jm9 by Molmil](/molmil-images/mine/8jm9) | |
8JMI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jmi by Molmil](/molmil-images/mine/8jmi) | |
8JMA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jma by Molmil](/molmil-images/mine/8jma) | |
8JME
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jme by Molmil](/molmil-images/mine/8jme) | |
8JMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jmh by Molmil](/molmil-images/mine/8jmh) | |
7DNU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dnu by Molmil](/molmil-images/mine/7dnu) | mRNA-decapping enzyme g5Rp with inhibitor insp6 complex | Descriptor: | INOSITOL HEXAKISPHOSPHATE, mRNA-decapping protein g5R | Authors: | Yang, Y, Chen, C, Li, L, Li, X.H, Su, D. | Deposit date: | 2020-12-10 | Release date: | 2021-12-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.245 Å) | Cite: | Structural Insight into Molecular Inhibitory Mechanism of InsP 6 on African Swine Fever Virus mRNA-Decapping Enzyme g5Rp. J.Virol., 96, 2022
|
|
7DNT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dnt by Molmil](/molmil-images/mine/7dnt) | mRNA-decapping enzyme g5Rp | Descriptor: | mRNA-decapping protein g5R | Authors: | Yang, Y, Chen, C, Li, L, Li, X.H, Su, D. | Deposit date: | 2020-12-10 | Release date: | 2022-03-09 | Last modified: | 2022-12-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insight into Molecular Inhibitory Mechanism of InsP 6 on African Swine Fever Virus mRNA-Decapping Enzyme g5Rp. J.Virol., 96, 2022
|
|
8HTV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8htv by Molmil](/molmil-images/mine/8htv) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3a | Descriptor: | 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone, 3C-like proteinase | Authors: | Su, H.X, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2022-12-21 | Release date: | 2023-08-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Discovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group. J.Med.Chem., 66, 2023
|
|
2BV1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bv1 by Molmil](/molmil-images/mine/2bv1) | Regulator of G-protein Signalling 1 (Human) | Descriptor: | REGULATOR OF G-PROTEIN SIGNALLING 1 | Authors: | Elkins, J.M, Yang, X, Soundararajan, M, Schoch, G.A, Haroniti, A, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A. | Deposit date: | 2005-06-20 | Release date: | 2005-06-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc. Natl. Acad. Sci. U.S.A., 105, 2008
|
|
4LH9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lh9 by Molmil](/molmil-images/mine/4lh9) | |
4NP4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4np4 by Molmil](/molmil-images/mine/4np4) | Clostridium difficile toxin B CROP domain in complex with FAB domains of neutralizing antibody bezlotoxumab | Descriptor: | Toxin B, bezlotoxumab heavy chain, bezlotoxumab light chain | Authors: | Orth, P, Xiao, L, Hernandez, L.D, Reichert, P, Sheth, P, Beaumont, M, Murgolo, N, Ermakov, G, DiNunzio, E, Racine, F, Karczewski, J, Secore, S, Ingram, R.N, Mayhood, T, Strickland, C, Therien, A.G. | Deposit date: | 2013-11-20 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Mechanism of Action and Epitopes of Clostridium difficile Toxin B-neutralizing Antibody Bezlotoxumab Revealed by X-ray Crystallography. J.Biol.Chem., 289, 2014
|
|
2F9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2f9u by Molmil](/molmil-images/mine/2f9u) | HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane | Descriptor: | 1,1-DIMETHYLETHYL [1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE, NS3 protease/helicase', ZINC ION, ... | Authors: | Venkatraman, S, Njoroge, F.G, Wu, W, Girijavallabhan, V, Prongay, A.J, Butkiewicz, N, Pichardo, J. | Deposit date: | 2005-12-06 | Release date: | 2006-06-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Novel Inhibitors of Hepatitis C NS3-NS4A Serine Protease Derived from 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid. Bioorg.Med.Chem.Lett., 16, 2006
|
|
4NJC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4njc by Molmil](/molmil-images/mine/4njc) | |
2F9V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2f9v by Molmil](/molmil-images/mine/2f9v) | HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with P1 and P2 cyclopropylalannines | Descriptor: | (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID, NS3 protease/helicase, ZINC ION, ... | Authors: | Bogen, S.L, Ruan, S, Liu, R, Agrawal, S, Pichardo, J, Prongay, A, Baroudy, B, Saksena, A, Girijavallabhan, V, Njoroge, F.G. | Deposit date: | 2005-12-06 | Release date: | 2007-01-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Depeptidization efforts on P3-P2 a-ketoamide inhibitors of HCV NS3-4A serine protease: Effect on HCV replicon activity. Bioorg.Med.Chem.Lett., 16, 2006
|
|
7KL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kl8 by Molmil](/molmil-images/mine/7kl8) | Structure of F420 binding protein Rv1558 from Mycobacterium tuberculosis with F420 bound | Descriptor: | COENZYME F420, COENZYME F420-3, Deazaflavin-dependent nitroreductase, ... | Authors: | Lee, B.M, Tan, L.L, Jackson, C.J. | Deposit date: | 2020-10-29 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.469 Å) | Cite: | Potency boost of a Mycobacterium tuberculosis dihydrofolate reductase inhibitor by multienzyme F 420 H 2 -dependent reduction. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6BBU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bbu by Molmil](/molmil-images/mine/6bbu) | Crystal Structure of JAK1 in complex with compound 25 | Descriptor: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK1 | Authors: | Han, S. | Deposit date: | 2017-10-19 | Release date: | 2018-01-17 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases. J. Med. Chem., 61, 2018
|
|