7BTK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7btk by Molmil](/molmil-images/mine/7btk) | E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA01 | Descriptor: | 4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Chen, X, Hu, Y.L, Liu, Q.M, Gao, Y, Yuan, R, Guo, Y. | Deposit date: | 2020-04-01 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
8QLC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qlc by Molmil](/molmil-images/mine/8qlc) | Crystal structure of the pneumococcal Substrate-binding protein AliD in open conformation | Descriptor: | AliD, MAGNESIUM ION | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | Deposit date: | 2023-09-19 | Release date: | 2024-05-22 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci. Plos Pathog., 20, 2024
|
|
8QLV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qlv by Molmil](/molmil-images/mine/8qlv) | Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 4 | Descriptor: | Oligopeptide-binding protein AliB, VAL-MET-VAL-LYS-GLY-PRO-GLY-PRO-GLY-ARG | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | Deposit date: | 2023-09-20 | Release date: | 2024-05-22 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci. Plos Pathog., 20, 2024
|
|
8QLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qlk by Molmil](/molmil-images/mine/8qlk) | Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 2 | Descriptor: | ALA-ILE-GLN-SER-GLU-LYS-ALA-ARG-LYS-HIS-ASN, Oligopeptide-binding protein AliB | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | Deposit date: | 2023-09-20 | Release date: | 2024-05-22 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci. Plos Pathog., 20, 2024
|
|
4GST
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gst by Molmil](/molmil-images/mine/4gst) | REACTION COORDINATE MOTION IN AN SNAR REACTION CATALYZED BY GLUTATHIONE TRANSFERASE | Descriptor: | 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, GLUTATHIONE S-TRANSFERASE, SULFATE ION | Authors: | Ji, X, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 1993-07-20 | Release date: | 1993-10-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Snapshots along the reaction coordinate of an SNAr reaction catalyzed by glutathione transferase. Biochemistry, 32, 1993
|
|
8QLM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qlm by Molmil](/molmil-images/mine/8qlm) | Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 3 | Descriptor: | Oligopeptide-binding protein AliB, PRO-ILE-VAL-GLY-GLY-HIS-GLU-GLY-ALA-GLY-VAL | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | Deposit date: | 2023-09-20 | Release date: | 2024-05-22 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci. Plos Pathog., 20, 2024
|
|
5FVR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fvr by Molmil](/molmil-images/mine/5fvr) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-METHYL-6-(2-(5-(1-METHYLPIPERIDIN-4-YL)PYRIDIN-3-YL) ETHYL)PYRIDIN-2-AMINE | Descriptor: | 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2016-02-10 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.842 Å) | Cite: | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
|
|
7FJG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fjg by Molmil](/molmil-images/mine/7fjg) | Crystal structure of butanol dehydrogenase A (YqdH) in complex with partial NADH from Fusobacterium nucleatum | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, NADH-dependent butanol dehydrogenase A | Authors: | Bai, X, Lan, J, Wang, L, Bu, T, Xu, Y. | Deposit date: | 2021-08-03 | Release date: | 2022-06-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Crystal structure of butanol dehydrogenase A (YqdH) in complex with partial NADH from Fusobacterium nucleatum To Be Published
|
|
7FEE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fee by Molmil](/molmil-images/mine/7fee) | Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ... | Authors: | Wang, X, Zhao, C, Shao, Z. | Deposit date: | 2021-07-19 | Release date: | 2022-06-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Nat.Chem.Biol., 18, 2022
|
|
4GWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gwg by Molmil](/molmil-images/mine/4gwg) | |
4GWT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gwt by Molmil](/molmil-images/mine/4gwt) | Structure of racemic Pin1 WW domain cocrystallized with DL-malic acid | Descriptor: | (2S)-2-hydroxybutanedioic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Mortenson, D.E, Yun, H.G, Gellman, S.H, Forest, K.T. | Deposit date: | 2012-09-03 | Release date: | 2013-10-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Evidence for small-molecule-mediated loop stabilization in the structure of the isolated Pin1 WW domain. Acta Crystallogr.,Sect.D, 69, 2013
|
|
7BV3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bv3 by Molmil](/molmil-images/mine/7bv3) | Crystal structure of a ugt transferase from Siraitia grosvenorii in complex with UDP | Descriptor: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | Authors: | Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X. | Deposit date: | 2020-04-09 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Near-perfect control of the regioselective glucosylation enabled by rational design of glycosyltransferases Green Synth Catal, 2021
|
|
5FMK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fmk by Molmil](/molmil-images/mine/5fmk) | Bcl-xL with Bak BH3 complex | Descriptor: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, BCL-XL, GLYCEROL | Authors: | Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M. | Deposit date: | 2015-11-06 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.731 Å) | Cite: | Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival. Genes Dev., 30, 2016
|
|
5FPQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fpq by Molmil](/molmil-images/mine/5fpq) | Structure of Homo sapiens acetylcholinesterase phosphonylated by sarin. | Descriptor: | ACETYLCHOLINESTERASE, PENTAETHYLENE GLYCOL | Authors: | Allgardsson, A, Berg, L, Akfur, C, Hornberg, A, Worek, F, Linusson, A, Ekstrom, F. | Deposit date: | 2015-12-02 | Release date: | 2016-05-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of a Prereaction Complex between the Nerve Agent Sarin, its Biological Target Acetylcholinesterase, and the Antidote Hi-6. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
7F3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f3q by Molmil](/molmil-images/mine/7f3q) | SARS-CoV-2 RBD in complex with A5-10 Fab and A34-2 Fab | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of A34-2 Fab, ... | Authors: | Dou, Y, Wang, X, Liu, P, Lu, B, Wang, K. | Deposit date: | 2021-06-16 | Release date: | 2022-06-22 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Development of neutralizing antibodies against SARS-CoV-2, using a high-throughput single-B-cell cloning method. Antib Ther, 6, 2023
|
|
4GZ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gz1 by Molmil](/molmil-images/mine/4gz1) | |
7BRS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7brs by Molmil](/molmil-images/mine/7brs) | E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA02 | Descriptor: | 8-[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Chen, X, Hu, Y.L, Gao, Y, Yuan, R, Guo, Y. | Deposit date: | 2020-03-30 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
7QUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7quv by Molmil](/molmil-images/mine/7quv) | Crystal structure of human Calprotectin (S100A8/S100A9) in complex with Peptide 3 | Descriptor: | 1,2-ETHANEDIOL, 4-methanoyl-2-(6-oxidanyl-3-oxidanylidene-4~{H}-xanthen-9-yl)benzoic acid, AMINO GROUP, ... | Authors: | Diaz-Perlas, C, Heinis, C, Pojer, F, Lau, K. | Deposit date: | 2022-01-19 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | High-affinity peptides developed against calprotectin and their application as synthetic ligands in diagnostic assays. Nat Commun, 14, 2023
|
|
7QQ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qq3 by Molmil](/molmil-images/mine/7qq3) | Cryo-EM structure of the E.coli 50S ribosomal subunit in complex with the antibiotic Myxovalargin A. | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Koller, T.O, Beckert, B, Wilson, D.N. | Deposit date: | 2022-01-06 | Release date: | 2023-01-18 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | The Myxobacterial Antibiotic Myxovalargin: Biosynthesis, Structural Revision, Total Synthesis, and Molecular Characterization of Ribosomal Inhibition. J.Am.Chem.Soc., 145, 2023
|
|
4H0T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h0t by Molmil](/molmil-images/mine/4h0t) | Crystal structure of Ia-ADPR-actin complex | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Tsurumura, T, Oda, M, Nagahama, M, Tsuge, H. | Deposit date: | 2012-09-10 | Release date: | 2013-02-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Arginine ADP-ribosylation mechanism based on structural snapshots of iota-toxin and actin complex Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
8QSN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qsn by Molmil](/molmil-images/mine/8qsn) | |
8QSM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qsm by Molmil](/molmil-images/mine/8qsm) | |
4H2M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h2m by Molmil](/molmil-images/mine/4h2m) | Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1408 | Descriptor: | 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase | Authors: | Zhu, W, Oldfield, E. | Deposit date: | 2012-09-12 | Release date: | 2012-12-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Antibacterial drug leads targeting isoprenoid biosynthesis. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
8QSL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qsl by Molmil](/molmil-images/mine/8qsl) | Cryo-EM structure of human SLC15A4 dimer in outward open state in LMNG | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Rehan, S, Matsuoka, R, Jazayeri, A, Duerr, K.L. | Deposit date: | 2023-10-10 | Release date: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Cryo-EM structure of human SLC15A4 dimer in outward open state in LMNG To Be Published
|
|
7F0D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f0d by Molmil](/molmil-images/mine/7f0d) | Cryo-EM structure of Mycobacterium tuberculosis 50S ribosome subunit bound with clarithromycin | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Zhang, W, Sun, Y, Gao, N, Li, Z. | Deposit date: | 2021-06-03 | Release date: | 2022-06-29 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structure of Mycobacterium tuberculosis 50S ribosomal subunit bound with clarithromycin reveals dynamic and specific interactions with macrolides. Emerg Microbes Infect, 11, 2022
|
|