5M05
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m05 by Molmil](/molmil-images/mine/5m05) | Chicken smooth muscle myosin motor domain co-crystallized with the specific CK-571 inhibitor, MgADP form | Descriptor: | 4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sirigu, S, Hartman, J, Houdusse, A. | Deposit date: | 2016-10-03 | Release date: | 2016-11-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.675 Å) | Cite: | Highly selective inhibition of myosin motors provides the basis of potential therapeutic application. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
6MBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mbo by Molmil](/molmil-images/mine/6mbo) | GLP Methyltransferase with Inhibitor EML741-P212121 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, Histone-lysine N-methyltransferase EHMT1, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-08-30 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.591 Å) | Cite: | Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure. J. Med. Chem., 62, 2019
|
|
6P8L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p8l by Molmil](/molmil-images/mine/6p8l) | Escherichia coli Bacterioferritin Substituted with Zinc Protoporphyrin IX (Zn Absorption Edge X-ray Data) | Descriptor: | Bacterioferritin, MALONATE ION, PROTOPORPHYRIN IX CONTAINING ZN, ... | Authors: | Taylor, A.B, Cioloboc, D, Kurtz, D.M. | Deposit date: | 2019-06-07 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a Zinc Porphyrin-Substituted Bacterioferritin and Photophysical Properties of Iron Reduction. Biochemistry, 59, 2020
|
|
6P8K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p8k by Molmil](/molmil-images/mine/6p8k) | Escherichia coli Bacterioferritin Substituted with Zinc Protoporphyrin IX | Descriptor: | Bacterioferritin, MALONATE ION, PROTOPORPHYRIN IX CONTAINING ZN, ... | Authors: | Taylor, A.B, Cioloboc, D, Kurtz, D.M. | Deposit date: | 2019-06-07 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a Zinc Porphyrin-Substituted Bacterioferritin and Photophysical Properties of Iron Reduction. Biochemistry, 59, 2020
|
|
5JDE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jde by Molmil](/molmil-images/mine/5jde) | |
7KW1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kw1 by Molmil](/molmil-images/mine/7kw1) | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3 | Descriptor: | (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Skene, R. | Deposit date: | 2020-11-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
|
|
7KVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kvx by Molmil](/molmil-images/mine/7kvx) | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1 | Descriptor: | (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Skene, R. | Deposit date: | 2020-11-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
|
|
6TGW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tgw by Molmil](/molmil-images/mine/6tgw) | |
5JDD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jdd by Molmil](/molmil-images/mine/5jdd) | |
5JDJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jdj by Molmil](/molmil-images/mine/5jdj) | Crystal structure of domain I10 from titin in space group P212121 | Descriptor: | CALCIUM ION, Titin | Authors: | Williams, R, Bogomolovas, J, Labiet, S, Mayans, O. | Deposit date: | 2016-04-16 | Release date: | 2016-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.738 Å) | Cite: | Exploration of pathomechanisms triggered by a single-nucleotide polymorphism in titin's I-band: the cardiomyopathy-linked mutation T2580I. Open Biology, 6, 2016
|
|
7UVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uvc by Molmil](/molmil-images/mine/7uvc) | Rad6(P43L)-Bre1 Complex | Descriptor: | E3 ubiquitin-protein ligase BRE1, Ubiquitin-conjugating enzyme E2 2 | Authors: | Shukla, P.K, Chandrasekharan, M.B. | Deposit date: | 2022-04-29 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structure and functional determinants of Rad6-Bre1 subunits in the histone H2B ubiquitin-conjugating complex. Nucleic Acids Res., 51, 2023
|
|
7UV8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uv8 by Molmil](/molmil-images/mine/7uv8) | Rad6-Bre1 Complex | Descriptor: | E3 ubiquitin-protein ligase BRE1, Ubiquitin-conjugating enzyme E2 2 | Authors: | Shukla, P.K, Chandrasekharan, M.B. | Deposit date: | 2022-04-29 | Release date: | 2023-01-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and functional determinants of Rad6-Bre1 subunits in the histone H2B ubiquitin-conjugating complex. Nucleic Acids Res., 51, 2023
|
|
7KVZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kvz by Molmil](/molmil-images/mine/7kvz) | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2 | Descriptor: | (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Skene, R.J. | Deposit date: | 2020-11-29 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
|
|
3L0T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l0t by Molmil](/molmil-images/mine/3l0t) | Crystal structure of catalytic domain of TACE with hydantoin inhibitor | Descriptor: | Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | Authors: | Orth, P. | Deposit date: | 2009-12-10 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery and SAR of hydantoin TACE inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
|
|
4NYF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nyf by Molmil](/molmil-images/mine/4nyf) | HIV integrase in complex with inhibitor | Descriptor: | (2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid, CADMIUM ION, Integrase | Authors: | Coulombe, R, Fader, L. | Deposit date: | 2013-12-10 | Release date: | 2014-06-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1. ACS Med Chem Lett, 5, 2014
|
|
6U02
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u02 by Molmil](/molmil-images/mine/6u02) | CryoEM-derived model of NA-63 Fab in complex with N9 Shanghai2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab-63 Heavy Chain, Fab-63 Light Chain, ... | Authors: | Ward, A.B, Turner, H.L, Zhu, X. | Deposit date: | 2019-08-13 | Release date: | 2019-12-04 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies. Cell Host Microbe, 26, 2019
|
|
5OVZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ovz by Molmil](/molmil-images/mine/5ovz) | High resolution structure of the PBP NocT in complex with nopaline | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid, ... | Authors: | Vigouroux, A, Morera, S. | Deposit date: | 2017-08-30 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host. Plos Pathog., 10, 2014
|
|
5EY9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ey9 by Molmil](/molmil-images/mine/5ey9) | Structure of FadD32 from Mycobacterium marinum complexed to AMPC12 | Descriptor: | GLYCEROL, Long-chain-fatty-acid--AMP ligase FadD32, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl icosyl hydrogen phosphate | Authors: | Guillet, V, Maveyraud, L, Mourey, L. | Deposit date: | 2015-11-24 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insight into Structure-Function Relationships and Inhibition of the Fatty Acyl-AMP Ligase (FadD32) Orthologs from Mycobacteria. J.Biol.Chem., 291, 2016
|
|
3J0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3j0l by Molmil](/molmil-images/mine/3j0l) | Core of mammalian 80S pre-ribosome in complex with tRNAs fitted to a 9.8A cryo-EM map: classic PRE state 1 | Descriptor: | 40S ribosomal RNA fragment, 60S ribosomal RNA fragment, Ribosomal protein L10, ... | Authors: | Budkevich, T, Giesebrecht, J, Altman, R, Munro, J, Mielke, T, Nierhaus, K, Blanchard, S, Spahn, C.M. | Deposit date: | 2011-10-04 | Release date: | 2011-11-16 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (9.8 Å) | Cite: | Structure and dynamics of the Mammalian ribosomal pretranslocation complex. Mol.Cell, 44, 2011
|
|
7NIP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nip by Molmil](/molmil-images/mine/7nip) | |
6S84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s84 by Molmil](/molmil-images/mine/6s84) | TsaBDE complex from Thermotoga maritima | Descriptor: | ATPase YjeE, predicted to have essential role in cell wall biosynthesis, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Missoury, S, Li-de-La-Sierra-Gallay, I, van Tilbeurgh, H. | Deposit date: | 2019-07-08 | Release date: | 2019-07-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | The structure of the TsaB/TsaD/TsaE complex reveals an unexpected mechanism for the bacterial t6A tRNA-modification. Nucleic Acids Res., 46, 2018
|
|
7N8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n8c by Molmil](/molmil-images/mine/7n8c) | Joint X-ray/neutron structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule5948770040 | Descriptor: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-06-14 | Release date: | 2021-06-23 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
|
|
3CLE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cle by Molmil](/molmil-images/mine/3cle) | |
5EY8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ey8 by Molmil](/molmil-images/mine/5ey8) | Structure of FadD32 from Mycobacterium smegmatis complexed to AMPC20 | Descriptor: | Acyl-CoA synthase, GLYCEROL, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl icosyl hydrogen phosphate | Authors: | Guillet, V, Maveyraud, L, Mourey, L. | Deposit date: | 2015-11-24 | Release date: | 2015-12-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Insight into Structure-Function Relationships and Inhibition of the Fatty Acyl-AMP Ligase (FadD32) Orthologs from Mycobacteria. J.Biol.Chem., 291, 2016
|
|
7AHS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ahs by Molmil](/molmil-images/mine/7ahs) | titin-N2A Ig81-Ig83 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Isoform 5 of Titin, ... | Authors: | Fleming, J.R, Mayans, O. | Deposit date: | 2020-09-25 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The N2A region of titin has a unique structural configuration. J.Gen.Physiol., 153, 2021
|
|