5BP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bp5 by Molmil](/molmil-images/mine/5bp5) | Crystal structure of HA17-HA33-IPT | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, HA-17, HA-33 | Authors: | Lee, K, Lam, K, Jin, R. | Deposit date: | 2015-05-27 | Release date: | 2015-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Inhibiting oral intoxication of botulinum neurotoxin A complex by carbohydrate receptor mimics. Toxicon, 107, 2015
|
|
5LJI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lji by Molmil](/molmil-images/mine/5lji) | Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target | Descriptor: | CALCIUM ION, FLAVIN MONONUCLEOTIDE, Flavodoxin | Authors: | Rodriguez-Cardenas, A, Rojas, A.L, Velazquez-Campoy, A, Hurtado-Guerrero, R, Sancho, J. | Deposit date: | 2016-07-18 | Release date: | 2016-08-31 | Last modified: | 2016-09-28 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target. Plos One, 11, 2016
|
|
7MR1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mr1 by Molmil](/molmil-images/mine/7mr1) | |
5AQT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aqt by Molmil](/molmil-images/mine/5aqt) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
|
|
5ANM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5anm by Molmil](/molmil-images/mine/5anm) | Crystal structure of IgE Fc in complex with a neutralizing antibody | Descriptor: | IG EPSILON CHAIN C REGION, IMMUNOGLOBULIN G, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cohen, E.S, Dobson, C.L, Kack, H, Wang, B, Sims, D.A, Lloyd, C.O, England, E, Rees, D.G, Guo, H, Karagiannis, S.N, O'Brien, S, Persdotter, S, Ekdahl, H, Butler, R, Keyes, F, Oakley, S, Carlsson, M, Briend, E, Wilkinson, T, Anderson, I.K, Monk, P.D, vonWachenfeldt, K, Eriksson, P.O, Gould, H.J, Vaughan, T.J, May, R.D. | Deposit date: | 2015-09-07 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A Novel Ige-Neutralizing Antibody for the Treatment of Severe Uncontrolled Asthma. Mabs, 6, 2015
|
|
4TWK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4twk by Molmil](/molmil-images/mine/4twk) | Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Octyl Glucose Neopentyl Glycol, ... | Authors: | Pike, A.C.W, Dong, Y.Y, Tessitore, A, Goubin, S, Strain-Damerell, C, Mukhopadhyay, S, Kupinska, K, Wang, D, Chalk, R, Berridge, G, Grieben, M, Shrestha, L, Ang, J.H, Mackenzie, A, Quigley, A, Bushell, S.R, Shintre, C.A, Faust, B, Chu, A, Dong, L, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P. | Deposit date: | 2014-06-30 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1) To Be Published
|
|
7KA0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ka0 by Molmil](/molmil-images/mine/7ka0) | Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and phenylalanine | Descriptor: | ACETATE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Chang, C, Michalska, K, Jedrzejczak, R, Wower, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-09-29 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation. Nucleic Acids Res., 49, 2021
|
|
4RUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rux by Molmil](/molmil-images/mine/4rux) | |
7K9M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k9m by Molmil](/molmil-images/mine/7k9m) | Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine | Descriptor: | 5'-O-(L-phenylalanylsulfamoyl)adenosine, GLYCEROL, HEXAETHYLENE GLYCOL, ... | Authors: | Michalska, K, Chang, C, Jedrzejczak, R, Wower, J, Baragana, B, Forte, B, Gilbert, I.H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-09-29 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation. Nucleic Acids Res., 49, 2021
|
|
7KAB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kab by Molmil](/molmil-images/mine/7kab) | M. tuberculosis PheRS complex with cognate precursor tRNA and phenylalanine | Descriptor: | GLYCEROL, MAGNESIUM ION, PHENYLALANINE, ... | Authors: | Chang, C, Michalska, K, Jedrzejczak, R, Wower, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-09-30 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation. Nucleic Acids Res., 49, 2021
|
|
5NRO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nro by Molmil](/molmil-images/mine/5nro) | Structure of full-length DnaK with bound J-domain | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaJ, Chaperone protein DnaK, ... | Authors: | Kopp, J, Kityk, R, Mayer, M.P. | Deposit date: | 2017-04-25 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Molecular Mechanism of J-Domain-Triggered ATP Hydrolysis by Hsp70 Chaperones. Mol. Cell, 69, 2018
|
|
5NBY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nby by Molmil](/molmil-images/mine/5nby) | Structure of a bacterial light-regulated adenylyl cylcase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2017-03-02 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
|
|
4ROP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rop by Molmil](/molmil-images/mine/4rop) | |
5DJ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dj8 by Molmil](/molmil-images/mine/5dj8) | Fc Heterodimer Design 7.7 D399M/Y407A + T366V/K409I | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]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 | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-01 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
|
|
4TSS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tss by Molmil](/molmil-images/mine/4tss) | TOXIC SHOCK SYNDROME TOXIN-1: TETRAGONAL P4(1)2(1)2 CRYSTAL FORM | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1, ZINC ION | Authors: | Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H. | Deposit date: | 1996-12-11 | Release date: | 1997-12-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity. Protein Sci., 6, 1997
|
|
5DJC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5djc by Molmil](/molmil-images/mine/5djc) | Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F | Descriptor: | Fc-III peptide, IODIDE ION, Ig gamma-1 chain C region, ... | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-01 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
|
|
5NFS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nfs by Molmil](/molmil-images/mine/5nfs) | |
2H74
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h74 by Molmil](/molmil-images/mine/2h74) | |
5NAP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nap by Molmil](/molmil-images/mine/5nap) | Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like inhibitor 17 | Descriptor: | (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | Deposit date: | 2017-02-28 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues. J Enzyme Inhib Med Chem, 33, 2018
|
|
5DFP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dfp by Molmil](/molmil-images/mine/5dfp) | Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036 | Descriptor: | 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1 | Authors: | Maksimoska, J, Marmorstein, R, Wang, W. | Deposit date: | 2015-08-27 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. Acs Med.Chem.Lett., 6, 2015
|
|
7JSR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jsr by Molmil](/molmil-images/mine/7jsr) | Crystal structure of the large glutamate dehydrogenase composed of 180 kDa subunits from Mycobacterium smegmatis | Descriptor: | NAD-specific glutamate dehydrogenase | Authors: | Lazaro, M, Melero, R, Huet, C, Lopez-Alonso, J.P, Delgado, S, Dodu, A, Bruch, E.M, Abriata, L.A, Alzari, P.M, Valle, M, Lisa, M.N. | Deposit date: | 2020-08-15 | Release date: | 2021-06-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (6.27 Å) | Cite: | 3D architecture and structural flexibility revealed in the subfamily of large glutamate dehydrogenases by a mycobacterial enzyme. Commun Biol, 4, 2021
|
|
7JOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jof by Molmil](/molmil-images/mine/7jof) | Calcium-bound C2A Domain from Human Dysferlin | Descriptor: | CALCIUM ION, Isoform 6 of Dysferlin | Authors: | Tadayon, R, Wang, Y, Santamaria, L, Mercier, P, Forristal, C, Shaw, G.S. | Deposit date: | 2020-08-06 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Calcium binds and rigidifies the dysferlin C2A domain in a tightly coupled manner. Biochem.J., 478, 2021
|
|
5DHG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dhg by Molmil](/molmil-images/mine/5dhg) | The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with C-35 (PSI Community Target) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide, OLEIC ACID, ... | Authors: | Miller, R.L, Thompson, A.A, Trapella, C, Guerrini, R, Malfacini, D, Patel, N, Han, G.W, Cherezov, V, Calo, G, Katritch, V, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2015-08-30 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor. Structure, 23, 2015
|
|
4TYE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tye by Molmil](/molmil-images/mine/4tye) | Structural analysis of the human Fibroblast Growth Factor Receptor 4 Kinase | Descriptor: | Fibroblast growth factor receptor 4, PHOSPHATE ION | Authors: | Lesca, E, Lammens, A, Huber, R, Augustin, M. | Deposit date: | 2014-07-08 | Release date: | 2014-09-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural analysis of the human fibroblast growth factor receptor 4 kinase. J.Mol.Biol., 426, 2014
|
|
4TYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tyj by Molmil](/molmil-images/mine/4tyj) | Structural analysis of the human Fibroblast Growth Factor Receptor 4 Kinase | Descriptor: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Fibroblast growth factor receptor 4, ... | Authors: | Lesca, E, Lammens, A, Huber, R, Augustin, M. | Deposit date: | 2014-07-08 | Release date: | 2014-09-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural analysis of the human fibroblast growth factor receptor 4 kinase. J.Mol.Biol., 426, 2014
|
|