7PSZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7psz by Molmil](/molmil-images/mine/7psz) | Crystal structure of CaM in complex with CDZ (form 1) | Descriptor: | 1-[bis(4-chlorophenyl)methyl]-3-[(2~{R})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole, CALCIUM ION, Calmodulin-1, ... | Authors: | Mechaly, A.E, Leger, C, Haouz, A, Chenal, A. | Deposit date: | 2021-09-24 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Dynamics and structural changes of calmodulin upon interaction with the antagonist calmidazolium. Bmc Biol., 20, 2022
|
|
7JMG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jmg by Molmil](/molmil-images/mine/7jmg) | Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 22 - State 2 (S2) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ZINC ION, ... | Authors: | Dashti, A, des Georges, A, Frank, J, Ourmazd, A. | Deposit date: | 2020-07-31 | Release date: | 2020-08-12 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Retrieving functional pathways of biomolecules from single-particle snapshots. Nat Commun, 11, 2020
|
|
7PU9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pu9 by Molmil](/molmil-images/mine/7pu9) | Crystal structure of CaM in complex with CDZ (form 2) | Descriptor: | 1-[bis(4-chlorophenyl)methyl]-3-[(2~{R})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole, CALCIUM ION, Calmodulin-1 | Authors: | Mechaly, A.E, Leger, C, Haouz, A, Chenal, A. | Deposit date: | 2021-09-28 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.279 Å) | Cite: | Dynamics and structural changes of calmodulin upon interaction with the antagonist calmidazolium. Bmc Biol., 20, 2022
|
|
7US2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7us2 by Molmil](/molmil-images/mine/7us2) | PARL-cleaved Skd3 (human ClpB) E455Q Nucleotide Binding Domain hexamer bound to ATPgammaS, open conformation | Descriptor: | Caseinolytic peptidase B protein homolog, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Gupta, A, Lentzsch, A.M, Siegel, A.S, Yu, Z, Lu, C, Chio, U.S, Cheng, Y, Shan, S.-o. | Deposit date: | 2022-04-22 | Release date: | 2023-04-26 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Dodecamer assembly of a metazoan AAA + chaperone couples substrate extraction to refolding. Sci Adv, 9, 2023
|
|
6SR5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sr5 by Molmil](/molmil-images/mine/6sr5) | X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 102 fs time delay | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | Authors: | Kloos, M, Gorel, A, Nass, K. | Deposit date: | 2019-09-04 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses. Nat Commun, 11, 2020
|
|
4M1E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m1e by Molmil](/molmil-images/mine/4m1e) | Crystal structure of purine nucleoside phosphorylase I from Planctomyces limnophilus DSM 3776, NYSGRC Target 029364. | Descriptor: | ADENINE, PYRIDINE-2-CARBOXYLIC ACID, Purine nucleoside phosphorylase, ... | Authors: | Malashkevich, V.N, Bonanno, J.B, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-08-02 | Release date: | 2013-08-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of purine nucleoside phosphorylase I from Planctomyces limnophilus DSM 3776, NYSGRC Target 029364. To be Published
|
|
6ZQP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zqp by Molmil](/molmil-images/mine/6zqp) | Structure of the Pmt2-MIR domain with bound ligands | Descriptor: | GLYCEROL, PMT2 isoform 1, SULFATE ION, ... | Authors: | Wild, K, Chiapparino, A, Hackmann, Y, Mortensen, S, Sinning, I. | Deposit date: | 2020-07-10 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Functional implications of MIR domains in protein O -mannosylation. Elife, 9, 2020
|
|
4MAR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mar by Molmil](/molmil-images/mine/4mar) | Crystal structure of purine nucleoside phosphorylase from Meiothermus ruber DSM 1279 complexed with sulfate. | Descriptor: | MAGNESIUM ION, Purine nucleoside phosphorylase DeoD-type, SULFATE ION | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-08-16 | Release date: | 2013-10-09 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of purine nucleoside phosphorylase from Meiothermus ruber DSM 1279 complexed with sulfate. To be Published
|
|
6YTC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ytc by Molmil](/molmil-images/mine/6ytc) | |
6ZQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zqq by Molmil](/molmil-images/mine/6zqq) | Structure of the Pmt3-MIR domain with bound ligands | Descriptor: | GLYCEROL, PMT3 isoform 1 | Authors: | Wild, K, Chiapparino, A, Hackmann, Y, Mortensen, S, Sinning, I. | Deposit date: | 2020-07-10 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Functional implications of MIR domains in protein O -mannosylation. Elife, 9, 2020
|
|
6ZM6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zm6 by Molmil](/molmil-images/mine/6zm6) | Human mitochondrial ribosome in complex with mRNA, A/A tRNA and P/P tRNA | Descriptor: | 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ... | Authors: | Itoh, Y, Andrell, J, Amunts, A. | Deposit date: | 2020-07-01 | Release date: | 2021-01-13 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Mechanism of membrane-tethered mitochondrial protein synthesis. Science, 371, 2021
|
|
4MBA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mba by Molmil](/molmil-images/mine/4mba) | APLYSIA LIMACINA MYOGLOBIN. CRYSTALLOGRAPHIC ANALYSIS AT 1.6 ANGSTROMS RESOLUTION | Descriptor: | IMIDAZOLE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bolognesi, M, Onesti, S, Gatti, G, Coda, A, Ascenzi, P, Brunori, M. | Deposit date: | 1989-02-22 | Release date: | 1990-01-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Aplysia limacina myoglobin. Crystallographic analysis at 1.6 A resolution. J.Mol.Biol., 205, 1989
|
|
1BOZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1boz by Molmil](/molmil-images/mine/1boz) | STRUCTURE-BASED DESIGN AND SYNTHESIS OF LIPOPHILIC 2,4-DIAMINO-6-SUBSTITUTED QUINAZOLINES AND THEIR EVALUATION AS INHIBITORS OF DIHYDROFOLATE REDUCTASE AND POTENTIAL ANTITUMOR AGENTS | Descriptor: | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (DIHYDROFOLATE REDUCTASE) | Authors: | Gangjee, A, Vidwans, A.P, Vasudevan, A, Queener, S.F, Kisliuk, R.L, Cody, V, Li, R, Galitsky, N, Luft, J.R, Pangborn, W. | Deposit date: | 1998-08-06 | Release date: | 1998-08-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents. J.Med.Chem., 41, 1998
|
|
7SKM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7skm by Molmil](/molmil-images/mine/7skm) | Complex between S. aureus aureolysin and wt IMPI. | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2021-10-21 | Release date: | 2022-01-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin Comput Struct Biotechnol J, 20, 2022
|
|
7QDS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qds by Molmil](/molmil-images/mine/7qds) | Apo human SKI complex in the open state | Descriptor: | Helicase SKI2W, Tetratricopeptide repeat protein 37, WD repeat-containing protein 61 | Authors: | Koegel, A, Keidel, A, Bonneau, A, Schaefer, I.B, Conti, E. | Deposit date: | 2021-11-30 | Release date: | 2022-02-02 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The human SKI complex regulates channeling of ribosome-bound RNA to the exosome via an intrinsic gatekeeping mechanism. Mol.Cell, 82, 2022
|
|
8V5Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v5y by Molmil](/molmil-images/mine/8v5y) | |
6R88
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r88 by Molmil](/molmil-images/mine/6r88) | Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with glycine | Descriptor: | CHLORIDE ION, GLYCEROL, GLYCINE, ... | Authors: | Alfieri, A, Pederzoli, R, Costa, A. | Deposit date: | 2019-04-01 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
7SKL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7skl by Molmil](/molmil-images/mine/7skl) | Complex between S. aureus aureolysin and IMPI mutant I57I | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, IMPI alpha, ... | Authors: | Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2021-10-21 | Release date: | 2022-01-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin Comput Struct Biotechnol J, 20, 2022
|
|
3ZWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zwe by Molmil](/molmil-images/mine/3zwe) | Structure of BambL, a lectin from Burkholderia ambifaria, complexed with blood group B epitope | Descriptor: | BAMBL LECTIN, alpha-L-fucopyranose, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Audfray, A, Claudinon, J, Abounit, S, Ruvoen-Clouet, N, Larson, G, Wimmerova, M, LePendu, J, Romer, W, Varrot, A, Imberty, A. | Deposit date: | 2011-07-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Fucose-Binding Lectin from Opportunistic Pathogen Burkholderia Ambifaria Binds to Both Plant and Human Oligosaccharidic Epitopes. J.Biol.Chem., 287, 2012
|
|
1Z6G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z6g by Molmil](/molmil-images/mine/1z6g) | Crystal structure of guanylate kinase from Plasmodium falciparum | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION, guanylate kinase | Authors: | Mulichak, A.M, Lew, J, Artz, J, Choe, J, Walker, J.R, Zhao, Y, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Hui, R, Gao, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-03-22 | Release date: | 2005-04-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
|
|
3ZW2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zw2 by Molmil](/molmil-images/mine/3zw2) | Structure of the lectin Bambl from Burkholderia ambifaria in complex with blood group H type 1 tetrasaccharide | Descriptor: | BAMBL LECTIN, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Audfray, A, Claudinon, J, Abounit, S, Ruvoen-Clouet, N, Larson, G, Wimmerova, M, Lependu, J, Romer, W, Varrot, A, Imberty, A. | Deposit date: | 2011-07-28 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fucose-Binding Lectin from Opportunistic Pathogen Burkholderia Ambifaria Binds to Both Plant and Human Oligosaccharidic Epitopes. J.Biol.Chem., 287, 2012
|
|
3ZW0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zw0 by Molmil](/molmil-images/mine/3zw0) | Structure of BambL lectin from Burkholderia ambifaria | Descriptor: | BAMBL LECTIN, alpha-L-fucopyranose | Authors: | Audfray, A, Claudinon, J, Abounit, S, Ruvoen-Clouet, N, Larson, G, Wimmerova, M, LePendu, J, Romer, W, Varrot, A, Imberty, A. | Deposit date: | 2011-07-28 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fucose-Binding Lectin from Opportunistic Pathogen Burkholderia Ambifaria Binds to Both Plant and Human Oligosaccharidic Epitopes. J.Biol.Chem., 287, 2012
|
|
4LN1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ln1 by Molmil](/molmil-images/mine/4ln1) | CRYSTAL STRUCTURE OF L-lactate dehydrogenase from Bacillus cereus ATCC 14579 complexed with calcium, NYSGRC Target 029452 | Descriptor: | CALCIUM ION, L-lactate dehydrogenase 1 | Authors: | Malashkevich, V.N, Bonanno, J.B, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-07-11 | Release date: | 2013-07-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of L-lactate dehydrogenase from Bacillus cereus ATCC 14579 complexed with calcium, NYSGRC Target 029452 To be Published
|
|
7SNU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7snu by Molmil](/molmil-images/mine/7snu) | Crystal structure of ShHTL7 from Striga hermonthica in complex with strigolactone antagonist RG6 | Descriptor: | 2-{(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperazin-2-yl}ethan-1-ol, ACETATE ION, GLYCEROL, ... | Authors: | Arellano-Saab, A, Stogios, P.J, Skarina, T, Yim, V, Savchenko, A, McCourt, P. | Deposit date: | 2021-10-28 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | A novel strigolactone receptor antagonist provides insights into the structural inhibition, conditioning, and germination of the crop parasite Striga. J.Biol.Chem., 298, 2022
|
|
8V8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v8e by Molmil](/molmil-images/mine/8v8e) | Room-temperature X-ray structure of SARS-CoV-2 main protease catalytic domain (residues 1-199-6H) in complex with ensitrelvir (ESV) | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, peptide | Authors: | Kovalevsky, A, Coates, L. | Deposit date: | 2023-12-05 | Release date: | 2024-05-29 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Visualizing the Active Site Oxyanion Loop Transition Upon Ensitrelvir Binding and Transient Dimerization of SARS-CoV-2 Main Protease. J.Mol.Biol., 436, 2024
|
|