6C1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c1x by Molmil](/molmil-images/mine/6c1x) | Crystal Structure of Ketosteroid Isomerase D40N/D103N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol | Descriptor: | 3,4-dinitrophenol, MAGNESIUM ION, Steroid Delta-isomerase | Authors: | Yabukarski, F, Pinney, M.M, Herschlag, D. | Deposit date: | 2018-01-05 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein. J. Am. Chem. Soc., 140, 2018
|
|
6C3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c3m by Molmil](/molmil-images/mine/6c3m) | Wild type structure of SiRHP | Descriptor: | IRON/SULFUR CLUSTER, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Stroupe, M.E. | Deposit date: | 2018-01-10 | Release date: | 2018-06-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The role of extended Fe4S4cluster ligands in mediating sulfite reductase hemoprotein activity. Biochim. Biophys. Acta, 1866, 2018
|
|
7MFG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mfg by Molmil](/molmil-images/mine/7mfg) | Cryo-EM structure of the VRC310 clinical trial, vaccine-elicited, human antibody 310-030-1D06 Fab in complex with an H1 NC99 HA trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 310-030-1D06 Heavy, 310-030-1D06 Light, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2021-04-09 | Release date: | 2021-11-03 | Last modified: | 2022-03-09 | Method: | ELECTRON MICROSCOPY (3.87 Å) | Cite: | A single residue in influenza virus H2 hemagglutinin enhances the breadth of the B cell response elicited by H2 vaccination. Nat Med, 28, 2022
|
|
6C3X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c3x by Molmil](/molmil-images/mine/6c3x) | Wild type structure of SiRHP | Descriptor: | IRON/SULFUR CLUSTER, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Stroupe, M.E. | Deposit date: | 2018-01-11 | Release date: | 2018-06-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.542 Å) | Cite: | The role of extended Fe4S4cluster ligands in mediating sulfite reductase hemoprotein activity. Biochim. Biophys. Acta, 1866, 2018
|
|
7MFJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mfj by Molmil](/molmil-images/mine/7mfj) | Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae | Descriptor: | ACETATE ION, Beta-cyanoalanine synthase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Daneshian, L, Schlachter, C, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M. | Deposit date: | 2021-04-09 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.351 Å) | Cite: | Structural and functional characterization of beta-cyanoalanine synthase from Tetranychus urticae. Insect Biochem.Mol.Biol., 142, 2022
|
|
6DEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6deu by Molmil](/molmil-images/mine/6deu) | Human caspase-6 A109T | Descriptor: | Caspase-6 | Authors: | Tubeleviciute-Aydin, A, Beautrait, A, Lynham, J, Sharma, G, Gorelik, A, Deny, L.J, Soya, N, Lukacs, G.L, Nagar, B, Marinier, A, LeBlanc, A.C. | Deposit date: | 2018-05-13 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Identification of Allosteric Inhibitors against Active Caspase-6. Sci Rep, 9, 2019
|
|
6DPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dpx by Molmil](/molmil-images/mine/6dpx) | X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid, Beta-lactamase | Authors: | Singh, I. | Deposit date: | 2018-06-09 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
|
|
6DUP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dup by Molmil](/molmil-images/mine/6dup) | CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH COMPOUND 7 | Descriptor: | (2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one, Nuclear receptor subfamily 1 group I member 2 | Authors: | Chen, X, Zhang, Y, Mclean, L.R. | Deposit date: | 2018-06-21 | Release date: | 2018-08-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Amelioration of PXR-mediated CYP3A4 induction by mGluR2 modulators. Bioorg. Med. Chem. Lett., 28, 2018
|
|
6DN2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dn2 by Molmil](/molmil-images/mine/6dn2) | CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1354 SPLIT RNA | Descriptor: | 4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T. | Deposit date: | 2018-06-05 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch. ACS Chem. Biol., 13, 2018
|
|
6DWU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dwu by Molmil](/molmil-images/mine/6dwu) | |
6DWD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dwd by Molmil](/molmil-images/mine/6dwd) | SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric Pocket | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6D6Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d6z by Molmil](/molmil-images/mine/6d6z) | |
6D78
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d78 by Molmil](/molmil-images/mine/6d78) | The complex between high-affinity TCR DMF5(alpha-D26Y,beta-L98W) and human Class I MHC HLA-A2 with the bound MART-1(27-35)peptide | Descriptor: | Beta-2-microglobulin, DMF5 alpha chain,DMF5 alpha chain, DMF5 beta chain,DMF5 beta chain, ... | Authors: | Hellman, L.M, Singh, N.K. | Deposit date: | 2018-04-24 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.347 Å) | Cite: | Improving T Cell Receptor On-Target Specificity via Structure-Guided Design. Mol. Ther., 27, 2019
|
|
7LUC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7luc by Molmil](/molmil-images/mine/7luc) | Cryo-EM structure of RSV preF bound by Fabs 32.4K and 01.4B | Descriptor: | 01.4B Fab Heavy chain, 01.4B Fab Light chain, 32.4K Fab Heavy chain, ... | Authors: | Wrapp, D, McLellan, J.S. | Deposit date: | 2021-02-22 | Release date: | 2021-04-21 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Vaccination with prefusion-stabilized respiratory syncytial virus fusion protein induces genetically and antigenically diverse antibody responses. Immunity, 54, 2021
|
|
6DKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dkp by Molmil](/molmil-images/mine/6dkp) | The complex among DMF5(alpha-D26Y, alpha-Y50A,beta-L98W) TCR, human Class I MHC HLA-A2 and MART-1(26-35)(A27L) peptide | Descriptor: | Beta-2-microglobulin, DMF5 T-cell Receptor Alpha Chain fusion, DMF5 T-cell Receptor Beta Chain fusion, ... | Authors: | Hellman, L.M, Singh, N.K. | Deposit date: | 2018-05-30 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.966 Å) | Cite: | Improving T Cell Receptor On-Target Specificity via Structure-Guided Design. Mol. Ther., 27, 2019
|
|
7MP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mp3 by Molmil](/molmil-images/mine/7mp3) | |
6ATS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ats by Molmil](/molmil-images/mine/6ats) | |
6ATU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6atu by Molmil](/molmil-images/mine/6atu) | |
6AUP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6aup by Molmil](/molmil-images/mine/6aup) | Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox | Descriptor: | GLYCEROL, Potassium channel toxin gamma-KTx 2.2, SULFATE ION | Authors: | Gewe, M.M, Rupert, P, Strong, R.K. | Deposit date: | 2017-09-01 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Screening, large-scale production and structure-based classification of cystine-dense peptides. Nat. Struct. Mol. Biol., 25, 2018
|
|
6B1J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b1j by Molmil](/molmil-images/mine/6b1j) | Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 by soaking | Descriptor: | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, 1,2-ETHANEDIOL, CITRIC ACID, ... | Authors: | van den Akker, F, Nguyen, N.Q. | Deposit date: | 2017-09-18 | Release date: | 2018-08-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. J. Med. Chem., 61, 2018
|
|
6ATL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6atl by Molmil](/molmil-images/mine/6atl) | Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox | Descriptor: | CITRIC ACID, Potassium channel toxin alpha-KTx 4.2, SULFATE ION | Authors: | Gewe, M.M, Rupert, P, Strong, R.K. | Deposit date: | 2017-08-29 | Release date: | 2018-02-28 | Last modified: | 2018-03-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Screening, large-scale production and structure-based classification of cystine-dense peptides. Nat. Struct. Mol. Biol., 25, 2018
|
|
7MQ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mq2 by Molmil](/molmil-images/mine/7mq2) | |
7MM8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mm8 by Molmil](/molmil-images/mine/7mm8) | Crystal structure of HCV NS3/4A protease in complex with NR02-08 | Descriptor: | (1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3/4a protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2021-04-29 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
|
|
7MM6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mm6 by Molmil](/molmil-images/mine/7mm6) | |
7MMJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mmj by Molmil](/molmil-images/mine/7mmj) | Crystal structure of HCV NS3/4A D168A protease in complex with NR02-08 | Descriptor: | (1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3 protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2021-04-29 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
|
|