8OID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oid by Molmil](/molmil-images/mine/8oid) | Cryo-EM structure of ADP-bound, filamentous beta-actin harboring the N111S mutation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | Authors: | Oosterheert, W, Blanc, F.E.C, Roy, A, Belyy, A, Hofnagel, O, Hummer, G, Bieling, P, Raunser, S. | Deposit date: | 2023-03-22 | Release date: | 2023-08-09 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments. Nat.Struct.Mol.Biol., 30, 2023
|
|
8QW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qw7 by Molmil](/molmil-images/mine/8qw7) | Crystal Structure of compound 4 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Zollman, D, Farnaby, W, Ciulli, A. | Deposit date: | 2023-10-18 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
|
|
8QVU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qvu by Molmil](/molmil-images/mine/8qvu) | Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex | Descriptor: | (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Wijaya, A.J, Zollman, D, Farnaby, W, Ciulli, A. | Deposit date: | 2023-10-18 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
|
|
5GL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gl8 by Molmil](/molmil-images/mine/5gl8) | |
5GJS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gjs by Molmil](/molmil-images/mine/5gjs) | Crystal structure of H1 hemagglutinin from A/California/04/2009 in complex with a neutralizing antibody 3E1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Wang, W, Zhang, T, Ding, J. | Deposit date: | 2016-07-01 | Release date: | 2016-12-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Human antibody 3E1 targets the HA stem region of H1N1 and H5N6 influenza A viruses Nat Commun, 7, 2016
|
|
5TIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tih by Molmil](/molmil-images/mine/5tih) | Structural basis for inhibition of erythrocyte invasion by antibodies to Plasmodium falciparum protein CyRPA | Descriptor: | ACETATE ION, CyRPA antibody Fab Heavy Chain, CyRPA antibody Fab Light Chain, ... | Authors: | Chen, L, Xu, Y, Wang, W, Thompson, J.K, Goddard-Borger, E, Lawrence, M.C, Cowman, A.F. | Deposit date: | 2016-10-03 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural basis for inhibition of erythrocyte invasion by antibodies toPlasmodium falciparumprotein CyRPA. Elife, 6, 2017
|
|
5GS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gs8 by Molmil](/molmil-images/mine/5gs8) | Crystal structure of TLA-3 extended-spectrum beta-lactamase | Descriptor: | Beta-lactamase, CHLORIDE ION, SODIUM ION, ... | Authors: | Wachino, J, Jin, W, Arakawa, Y. | Deposit date: | 2016-08-14 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595. Antimicrob. Agents Chemother., 61, 2017
|
|
8QW6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qw6 by Molmil](/molmil-images/mine/8qw6) | Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | Descriptor: | (2S,4R)-1-[(2S)-2-[6-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Zollman, D, Farnaby, W, Ciulli, A. | Deposit date: | 2023-10-18 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
|
|
5GUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gub by Molmil](/molmil-images/mine/5gub) | Crystal structure of solute-binding protein complexed with sulfate group-free unsaturated chondroitin disaccharide | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ... | Authors: | Oiki, S, Mikami, B, Murata, K, Hashimoto, W. | Deposit date: | 2016-08-26 | Release date: | 2017-07-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A bacterial ABC transporter enables import of mammalian host glycosaminoglycans Sci Rep, 7, 2017
|
|
5GWA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gwa by Molmil](/molmil-images/mine/5gwa) | Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ... | Authors: | Wachino, J, Jin, W, Arakawa, Y. | Deposit date: | 2016-09-09 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595. Antimicrob. Agents Chemother., 61, 2017
|
|
8QF8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qf8 by Molmil](/molmil-images/mine/8qf8) | GH146 beta-L-arabinofuranosidase from Bacteroides thetaioatomicron in complex with beta-l-arabinofurano cyclophellitol aziridine | Descriptor: | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol, (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol, Glycosyl hydrolase, ... | Authors: | Borlandelli, V, Offen, W, Moroz, O.V, Nin-Hill, A, McGregor, N, Binkhorst, L, Armstrong, Z, Ishiwata, A, Artola, M, Rovira, C, Davies, G.J, Overkleeft, H. | Deposit date: | 2023-09-04 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | beta-l- Arabino furano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining beta-l-Arabinofuranosidases. Acs Chem.Biol., 18, 2023
|
|
8R03
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r03 by Molmil](/molmil-images/mine/8r03) | Staphylococcus aureus ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.0 A resolution | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound) | Authors: | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Liebhart, E, Kuttenlochner, W, Kulik, A, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | Deposit date: | 2023-10-30 | Release date: | 2023-12-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A. Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
8R05
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r05 by Molmil](/molmil-images/mine/8r05) | Photorhabdus lamondii ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.5 A resolution | Descriptor: | ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound) | Authors: | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Liebhart, E, Kuttenlochner, W, Kulik, A, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | Deposit date: | 2023-10-30 | Release date: | 2023-12-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A. Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
5TIK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tik by Molmil](/molmil-images/mine/5tik) | Structural basis for inhibition of erythrocyte invasion by antibodies to Plasmodium falciparum protein CyRPA | Descriptor: | Cysteine-rich protective antigen | Authors: | Chen, L, Xu, Y, Wang, W, Thompson, J.K, Goddard-Borger, E, Lawrence, M.C, Cowman, A.F. | Deposit date: | 2016-10-03 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Structural basis for inhibition of erythrocyte invasion by antibodies toPlasmodium falciparumprotein CyRPA. Elife, 6, 2017
|
|
5GZS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gzs by Molmil](/molmil-images/mine/5gzs) | Structure of VC protein | Descriptor: | ARGININE, GGDEF family protein | Authors: | Xu, M, Wang, Y.Z, Yang, X.A, Xie, W, Jiang, T. | Deposit date: | 2016-10-01 | Release date: | 2017-08-16 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Structural studies of the periplasmic portion of the diguanylate cyclase CdgH from Vibrio cholerae. Sci Rep, 7, 2017
|
|
8R04
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r04 by Molmil](/molmil-images/mine/8r04) | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active Site Inhibitor Cystargolide A | Descriptor: | ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound) | Authors: | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Liebhart, E, Kuttenlochner, W, Kulik, A, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | Deposit date: | 2023-10-30 | Release date: | 2023-12-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A. Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
5E40
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e40 by Molmil](/molmil-images/mine/5e40) | 3-Deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis with D-tyrosine bound in the phenylalanine binding site | Descriptor: | 3-deoxy-D-arabinoheptulosonate-7-phosphate synthase, D-TYROSINE, GLYCEROL, ... | Authors: | Reichau, S, Jiao, W, Parker, E.J. | Deposit date: | 2015-10-05 | Release date: | 2016-06-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Probing the Sophisticated Synergistic Allosteric Regulation of Aromatic Amino Acid Biosynthesis in Mycobacterium tuberculosis Using -Amino Acids. Plos One, 11, 2016
|
|
8RNT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rnt by Molmil](/molmil-images/mine/8rnt) | STRUCTURE OF RIBONUCLEASE T1 COMPLEXED WITH ZINC(II) AT 1.8 ANGSTROMS RESOLUTION: A ZN2+.6H2O.CARBOXYLATE CLATHRATE | Descriptor: | RIBONUCLEASE T1, ZINC ION | Authors: | Ding, J, Choe, H.-W, Granzin, J, Saenger, W. | Deposit date: | 1991-09-23 | Release date: | 1993-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of ribonuclease T1 complexed with zinc(II) at 1.8 A resolution: a Zn2+.6H2O.carboxylate clathrate. Acta Crystallogr.,Sect.B, 48, 1992
|
|
3NCP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ncp by Molmil](/molmil-images/mine/3ncp) | GlnK2 from Archaeoglobus fulgidus | Descriptor: | CHLORIDE ION, Nitrogen regulatory protein P-II (GlnB-2) | Authors: | Helfmann, S, Lue, W, Litz, C, Andrade, S.L.A. | Deposit date: | 2010-06-05 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Cooperative binding of MgATP and MgADP in the trimeric P(II) protein GlnK2 from Archaeoglobus fulgidus. J.Mol.Biol., 402, 2010
|
|
5E7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e7z by Molmil](/molmil-images/mine/5e7z) | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis in complex with D/L-tryptophan and D-phenylalanine | Descriptor: | 3-deoxy-D-arabinoheptulosonate-7-phosphate synthase, D-PHENYLALANINE, D-TRYPTOPHAN, ... | Authors: | Reichau, S, Jiao, W, Parker, E.J. | Deposit date: | 2015-10-13 | Release date: | 2016-06-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Probing the Sophisticated Synergistic Allosteric Regulation of Aromatic Amino Acid Biosynthesis in Mycobacterium tuberculosis Using -Amino Acids. Plos One, 11, 2016
|
|
1RS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rs8 by Molmil](/molmil-images/mine/1rs8) | Bovine endothelial NOS heme domain with D-lysine-D-nitroarginine amide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | Authors: | Flinspach, M, Li, H, Jamal, J, Yang, W, Huang, H, Silverman, R.B, Poulos, T.L. | Deposit date: | 2003-12-09 | Release date: | 2004-06-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of the neuronal and endothelial nitric oxide synthase heme domain with D-nitroarginine-containing dipeptide inhibitors bound. Biochemistry, 43, 2004
|
|
5E1D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e1d by Molmil](/molmil-images/mine/5e1d) | NTMT1 in complex with YPKRIA peptide | Descriptor: | GLYCEROL, N-terminal Xaa-Pro-Lys N-methyltransferase 1, RCC1, ... | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-29 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural basis for substrate recognition by the human N-terminal methyltransferase 1. Genes Dev., 29, 2015
|
|
5E1O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e1o by Molmil](/molmil-images/mine/5e1o) | Crystal structure of NTMT1 in complex with RPKRIA peptide | Descriptor: | GLYCEROL, N-terminal Xaa-Pro-Lys N-methyltransferase 1, RCC1, ... | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-29 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for substrate recognition by the human N-terminal methyltransferase 1. Genes Dev., 29, 2015
|
|
4QOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qoy by Molmil](/molmil-images/mine/4qoy) | |
5E26
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e26 by Molmil](/molmil-images/mine/5e26) | Crystal structure of human PANK2: the catalytic core domain in complex with pantothenate and adenosine diphosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | DONG, A, LOPPNAU, P, RAVICHANDRAN, M, CHENG, C, TEMPEL, W, SEITOVA, A, HUTCHINSON, A, HONG, B.S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-30 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of human PANK2: the catalytic core domain in complex with pantothenate and adenosine diphosphate to be published
|
|