7NMU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nmu by Molmil](/molmil-images/mine/7nmu) | |
6XKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xks by Molmil](/molmil-images/mine/6xks) | Crystal structure of domain A from the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) of Salmonella typhimurium | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Histidine ABC transporter substrate-binding protein HisJ | Authors: | Romero-Romero, S, Berrocal, T, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | Deposit date: | 2020-06-27 | Release date: | 2021-07-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Thermodynamic and kinetic analysis of the LAO binding protein and its isolated domains reveal non-additivity in stability, folding and function. Febs J., 2023
|
|
5KGX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kgx by Molmil](/molmil-images/mine/5kgx) | HIV1 catalytic core domain in complex with an inhibitor (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | Descriptor: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION | Authors: | Feng, L, Kobe, M, Kvaratskhelia, M. | Deposit date: | 2016-06-13 | Release date: | 2016-10-19 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Indole-based allosteric inhibitors of HIV-1 integrase. Bioorg.Med.Chem.Lett., 26, 2016
|
|
7NLJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nlj by Molmil](/molmil-images/mine/7nlj) | |
5KIG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kig by Molmil](/molmil-images/mine/5kig) | PSEUDO T4 LYSOZYME MUTANT - Y88F | Descriptor: | 2-HYDROXYETHYL DISULFIDE, Endolysin | Authors: | Scholfield, M.R. | Deposit date: | 2016-06-16 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Energy Relationships of Halogen Bonds in Proteins. Biochemistry, 56, 2017
|
|
7NE5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ne5 by Molmil](/molmil-images/mine/7ne5) | catalytically non active S532A mutant of oligopeptidase B from S. proteomaculans with modified hinge region | Descriptor: | Oligopeptidase B, SPERMINE | Authors: | Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I. | Deposit date: | 2021-02-03 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | First Crystal Structure of Bacterial Oligopeptidase B in an Intermediate State: The Roles of the Hinge Region Modification and Spermine. Biology (Basel), 10, 2021
|
|
7NMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nmq by Molmil](/molmil-images/mine/7nmq) | Bacillus cereus HblL1 toxin component | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hemolysin BL lytic component L1 | Authors: | Rizkallah, P.J, Berry, C. | Deposit date: | 2021-02-23 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | The Crystal Structure of Bacillus cereus HblL 1 . Toxins, 13, 2021
|
|
6XR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xr2 by Molmil](/molmil-images/mine/6xr2) | |
8C0Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c0q by Molmil](/molmil-images/mine/8c0q) | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | Descriptor: | (4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2022-12-19 | Release date: | 2023-03-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors. Biology (Basel), 12, 2023
|
|
6XR1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xr1 by Molmil](/molmil-images/mine/6xr1) | |
5KII
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kii by Molmil](/molmil-images/mine/5kii) | PSEUDO T4 LYSOZYME MUTANT - Y88PHE-METHYL | Descriptor: | 2-HYDROXYETHYL DISULFIDE, Endolysin, PHOSPHATE ION | Authors: | Scholfield, M.R. | Deposit date: | 2016-06-16 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structure-Energy Relationships of Halogen Bonds in Proteins. Biochemistry, 56, 2017
|
|
5KIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kis by Molmil](/molmil-images/mine/5kis) | YenB/RHS2 complex | Descriptor: | CALCIUM ION, CHLORIDE ION, RHS2, ... | Authors: | Busby, J.N, Hurst, M.R.H, Lott, J.S. | Deposit date: | 2016-06-16 | Release date: | 2017-08-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of a new BC complex from Yersinia entomophaga To Be Published
|
|
8C0R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c0r by Molmil](/molmil-images/mine/8c0r) | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | Descriptor: | Carbonic anhydrase 2, ZINC ION, bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2022-12-19 | Release date: | 2023-03-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors. Biology (Basel), 12, 2023
|
|
6ILE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ile by Molmil](/molmil-images/mine/6ile) | CRYSTAL STRUCTURE OF A MUTANT PTAL-N*01:01 FOR 2.9 ANGSTROM, 52M 53D 54L DELETED | Descriptor: | Beta-2-microglobulin, HEV-1, MHC class I antigen | Authors: | Qu, Z.H, Zhang, N.Z, Xia, C. | Deposit date: | 2018-10-17 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure and Peptidome of the Bat MHC Class I Molecule Reveal a Novel Mechanism Leading to High-Affinity Peptide Binding. J Immunol., 202, 2019
|
|
5KIM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kim by Molmil](/molmil-images/mine/5kim) | PSEUDO T4 LYSOZYME MUTANT - Y88PHE-I | Descriptor: | 2-HYDROXYETHYL DISULFIDE, Endolysin, SODIUM ION | Authors: | Scholfield, M.R. | Deposit date: | 2016-06-16 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Energy Relationships of Halogen Bonds in Proteins. Biochemistry, 56, 2017
|
|
5KPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kpy by Molmil](/molmil-images/mine/5kpy) | Structure of a 5-hydroxytryptophan aptamer | Descriptor: | 5-hydroxy-L-tryptophan, 5-hydroxytryptophan RNA aptamer, IRIDIUM HEXAMMINE ION, ... | Authors: | Batey, R.T, Porter, E, Merck, M. | Deposit date: | 2016-07-05 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recurrent RNA motifs as scaffolds for genetically encodable small-molecule biosensors. Nat. Chem. Biol., 13, 2017
|
|
6XRW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xrw by Molmil](/molmil-images/mine/6xrw) | Chromosomal ParDE TA system from P. aeruginosa | Descriptor: | BENZAMIDINE, GLYCEROL, NONAETHYLENE GLYCOL, ... | Authors: | Bourne, C.R, Snead, K.J, Thomas, L.M. | Deposit date: | 2020-07-13 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | ParD Antitoxin Hotspot Alters a Disorder-to-Order Transition upon Binding to Its Cognate ParE Toxin, Lessening Its Interaction Affinity and Increasing Its Protease Degradation Kinetics. Biochemistry, 61, 2022
|
|
4HAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4haf by Molmil](/molmil-images/mine/4haf) | Crystal structure of fc-fragment of human IgG2 antibody (primitive crystal form) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2 chain C region | Authors: | Teplyakov, A, Malia, T, Obmolova, G, Zhao, Y, Gilliland, G. | Deposit date: | 2012-09-26 | Release date: | 2013-06-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | IgG2 Fc structure and the dynamic features of the IgG CH2-CH3 interface. Mol.Immunol., 56, 2013
|
|
1IDX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1idx by Molmil](/molmil-images/mine/1idx) | |
1II1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ii1 by Molmil](/molmil-images/mine/1ii1) | |
5KS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ks7 by Molmil](/molmil-images/mine/5ks7) | Crystal structure of Listeria monocytogenes OpuCA CBS domain dimer in complex with cyclic-di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Carnitine transport ATP-binding protein OpuCA | Authors: | Choi, P.H, Tong, L. | Deposit date: | 2016-07-07 | Release date: | 2016-07-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Cyclic di-AMP targets the cystathionine beta-synthase domain of the osmolyte transporter OpuC. Mol.Microbiol., 102, 2016
|
|
5KL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kl9 by Molmil](/molmil-images/mine/5kl9) | Crystal structure of a putative acyl-CoA thioesterase EC709/ECK0725 from Escherichia coli in complex with CoA | Descriptor: | Acyl-CoA thioester hydrolase YbgC, COENZYME A, GLYCEROL, ... | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-06-23 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal structure of a putative acyl-CoA thioesterase EC709/ECK0725 from Escherichia coli in complex with CoA To Be Published
|
|
4HOR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hor by Molmil](/molmil-images/mine/4hor) | Crystal Structure of Full-Length Human IFIT5 with 5`-triphosphate Oligocytidine | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 5, MAGNESIUM ION, RNA (5'-R(*(CTP)P*CP*CP*CP*C)-3') | Authors: | Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B. | Deposit date: | 2012-10-22 | Release date: | 2013-01-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins. Nature, 494, 2013
|
|
4HJG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hjg by Molmil](/molmil-images/mine/4hjg) | Meditope-enabled trastuzumab | Descriptor: | Immunoglobulin G-binding protein A, Protein L fragment, Trastuzumab heavy chain, ... | Authors: | Donaldson, J.M, Zer, C, Avery, K.N, Bzymek, K.P, Horne, D.A, Williams, J.C. | Deposit date: | 2012-10-12 | Release date: | 2013-10-09 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and grafting of a unique peptide-binding site in the Fab framework of monoclonal antibodies. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
6IP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ip9 by Molmil](/molmil-images/mine/6ip9) | Crystal Structure of Lanthanum ion (La3+) bound bovine alpha-lactalbumin | Descriptor: | Alpha-lactalbumin, GLYCEROL, LANTHANUM (III) ION, ... | Authors: | Prakash, P, Yarramala, S.D, Rao, C.P, Bhaumik, P. | Deposit date: | 2018-11-02 | Release date: | 2019-02-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Cytotoxicity of apo bovine alpha-lactalbumin complexed with La3+on cancer cells supported by its high resolution crystal structure. Sci Rep, 9, 2019
|
|