6VBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vbo by Molmil](/molmil-images/mine/6vbo) | |
7TP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tp3 by Molmil](/molmil-images/mine/7tp3) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K288.2 | Descriptor: | CACODYLATE ION, K288.2 heavy chain, K288.2 light chain, ... | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | Deposit date: | 2022-01-24 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques. Sci Transl Med, 14, 2022
|
|
7TP4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tp4 by Molmil](/molmil-images/mine/7tp4) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K398.22 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, K398.22 heavy chain, ... | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | Deposit date: | 2022-01-24 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques. Sci Transl Med, 14, 2022
|
|
5VIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vil by Molmil](/molmil-images/mine/5vil) | Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 6) | Descriptor: | 2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Jasti, J, Chang, J, Kurumbail, R. | Deposit date: | 2017-04-17 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors. Eur J Med Chem, 145, 2017
|
|
5VIO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vio by Molmil](/molmil-images/mine/5vio) | Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13) | Descriptor: | 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Jasti, J, Chang, J, Kurumbail, R. | Deposit date: | 2017-04-17 | Release date: | 2018-01-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors. Eur J Med Chem, 145, 2017
|
|
2Q5E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q5e by Molmil](/molmil-images/mine/2q5e) | Crystal structure of human carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2 | Descriptor: | Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2, MAGNESIUM ION | Authors: | Bonanno, J.B, Dickey, M, Bain, K.T, Lau, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-05-31 | Release date: | 2007-06-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structural genomics of protein phosphatases. J.Struct.Funct.Genom., 8, 2007
|
|
6L3A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l3a by Molmil](/molmil-images/mine/6l3a) | Cytochrome P450 107G1 (RapN) with everolimus | Descriptor: | Cytochrome P450, Everolimus, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Km, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W. | Deposit date: | 2019-10-10 | Release date: | 2020-09-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus. Arch.Biochem.Biophys., 692, 2020
|
|
4ICS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ics by Molmil](/molmil-images/mine/4ics) | Crystal structure of PepS from Streptococcus pneumoniae in complex with a substrate | Descriptor: | Aminopeptidase PepS, GLYCINE, TRYPTOPHAN, ... | Authors: | Lee, S, Kim, K.K, Ta, M.H. | Deposit date: | 2012-12-11 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure-based elucidation of the regulatory mechanism for aminopeptidase activity. Acta Crystallogr.,Sect.D, 69, 2013
|
|
6L39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l39 by Molmil](/molmil-images/mine/6l39) | Cytochrome P450 107G1 (RapN) | Descriptor: | Cytochrome P450, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | Authors: | Kim, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W. | Deposit date: | 2019-10-10 | Release date: | 2020-09-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus. Arch.Biochem.Biophys., 692, 2020
|
|
4ICR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4icr by Molmil](/molmil-images/mine/4icr) | Structural basis for substrate recognition and reaction mechanism of bacterial aminopeptidase peps | Descriptor: | Aminopeptidase PepS, CACODYLATE ION, ZINC ION | Authors: | Lee, S, Kim, K.K, Ta, M.H. | Deposit date: | 2012-12-11 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure-based elucidation of the regulatory mechanism for aminopeptidase activity. Acta Crystallogr.,Sect.D, 69, 2013
|
|
4ICQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4icq by Molmil](/molmil-images/mine/4icq) | |
7K9Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k9z by Molmil](/molmil-images/mine/7k9z) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with the Fab fragments of neutralizing antibodies 298 and 52 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 298 Fab Heavy Chain, 298 Fab Light Chain, ... | Authors: | Newton, J.C, Kucharska, I, Rujas, E, Cui, H, Julien, J.P. | Deposit date: | 2020-09-29 | Release date: | 2020-10-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Multivalency transforms SARS-CoV-2 antibodies into ultrapotent neutralizers. Nat Commun, 12, 2021
|
|
6MX8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mx8 by Molmil](/molmil-images/mine/6mx8) | Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor | Authors: | Dougan, D.R, Zhou, T. | Deposit date: | 2018-10-30 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase. J. Med. Chem., 59, 2016
|
|
7BWJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bwj by Molmil](/molmil-images/mine/7bwj) | crystal structure of SARS-CoV-2 antibody with RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | Authors: | Wang, X, Ge, J. | Deposit date: | 2020-04-14 | Release date: | 2020-06-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Human neutralizing antibodies elicited by SARS-CoV-2 infection. Nature, 584, 2020
|
|
8DL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dl9 by Molmil](/molmil-images/mine/8dl9) | |
8DLB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dlb by Molmil](/molmil-images/mine/8dlb) | Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z2799209083 | Descriptor: | 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase | Authors: | Kovalevsky, A.Y, Coates, L, Kneller, D.W. | Deposit date: | 2022-07-07 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. J.Chem.Inf.Model., 63, 2023
|
|
8DMD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dmd by Molmil](/molmil-images/mine/8dmd) | |
5H65
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h65 by Molmil](/molmil-images/mine/5h65) | Crystal structure of human POT1 and TPP1 | Descriptor: | Adrenocortical dysplasia protein homolog, Protection of telomeres protein 1, ZINC ION | Authors: | Chen, C, Wu, J, Lei, M. | Deposit date: | 2016-11-10 | Release date: | 2017-05-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into POT1-TPP1 interaction and POT1 C-terminal mutations in human cancer. Nat Commun, 8, 2017
|
|
7CFS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cfs by Molmil](/molmil-images/mine/7cfs) | Cryo-EM strucutre of human acid-sensing ion channel 1a at pH 8.0 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L. | Deposit date: | 2020-06-28 | Release date: | 2020-10-21 | Method: | ELECTRON MICROSCOPY (3.56 Å) | Cite: | Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1. Elife, 9, 2020
|
|
7CDI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cdi by Molmil](/molmil-images/mine/7cdi) | Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ... | Authors: | Wang, X, Zhang, L, Ge, J, Wang, R. | Deposit date: | 2020-06-19 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry. Nat Commun, 12, 2021
|
|
7CDJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cdj by Molmil](/molmil-images/mine/7cdj) | Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1A3 heavy chain, ... | Authors: | Wang, X, Zhang, L, Ge, J, Wang, R. | Deposit date: | 2020-06-19 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.396 Å) | Cite: | Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry. Nat Commun, 12, 2021
|
|
8EUA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8eua by Molmil](/molmil-images/mine/8eua) | Structure of SARS-CoV2 PLpro bound to a covalent inhibitor | Descriptor: | Papain-like protease nsp3, SULFATE ION, ZINC ION, ... | Authors: | Mathews, I.I, Pokhrel, S, Wakatsuki, S. | Deposit date: | 2022-10-18 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2. Nat Commun, 14, 2023
|
|
7CFT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cft by Molmil](/molmil-images/mine/7cft) | Cryo-EM strucutre of human acid-sensing ion channel 1a in complex with snake toxin Mambalgin1 at pH 8.0 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Mambalgin-1 | Authors: | Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L. | Deposit date: | 2020-06-28 | Release date: | 2020-10-21 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1. Elife, 9, 2020
|
|
6WY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wy1 by Molmil](/molmil-images/mine/6wy1) | Crystal structure of an engineered thermostable dengue virus 2 envelope protein dimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dengue 2 soluble recombinant envelope | Authors: | Kudlacek, S.T, Lakshmanane, P, Kuhlman, B. | Deposit date: | 2020-05-12 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.42 Å) | Cite: | Designed, highly expressing, thermostable dengue virus 2 envelope protein dimers elicit quaternary epitope antibodies. Sci Adv, 7, 2021
|
|
4YDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ydv by Molmil](/molmil-images/mine/4ydv) | STRUCTURE OF THE ANTIBODY 7B2 THAT CAPTURES HIV-1 VIRIONS | Descriptor: | HIV ANTIBODY 7B2 HEAVY CHAIN,IgG H chain, HIV ANTIBODY 7B2 LIGHT CHAIN,Ig kappa chain C region, HIV GP41 PEPTIDE GP41(596-606) | Authors: | Nicely, N.I, Pemble IV, C.W. | Deposit date: | 2015-02-23 | Release date: | 2015-08-12 | Last modified: | 2021-03-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human Non-neutralizing HIV-1 Envelope Monoclonal Antibodies Limit the Number of Founder Viruses during SHIV Mucosal Infection in Rhesus Macaques. Plos Pathog., 11, 2015
|
|