6WZU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wzu by Molmil](/molmil-images/mine/6wzu) | The crystal structure of Papain-Like Protease of SARS CoV-2 , P3221 space group | Descriptor: | CHLORIDE ION, GLYCEROL, Non-structural protein 3, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-05-14 | Release date: | 2020-05-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors. Nat Commun, 12, 2021
|
|
6X2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x2j by Molmil](/molmil-images/mine/6x2j) | Structure of human TRPA1 in complex with agonist GNE551 | Descriptor: | 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, Transient receptor potential cation channel subfamily A member 1 | Authors: | Rohou, A, Rouge, L, Chen, H. | Deposit date: | 2020-05-20 | Release date: | 2020-11-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A Non-covalent Ligand Reveals Biased Agonism of the TRPA1 Ion Channel. Neuron, 109, 2021
|
|
2OK5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ok5 by Molmil](/molmil-images/mine/2ok5) | Human Complement factor B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement factor B, ... | Authors: | Milder, F.J, Gomes, L, Schouten, A, Janssen, B.J.C, Huizinga, E.G, Romijn, R.A, Hemrika, W, Roos, A, Daha, M.R, Gros, P. | Deposit date: | 2007-01-16 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Factor B structure provides insights into activation of the central protease of the complement system. Nat.Struct.Mol.Biol., 14, 2007
|
|
6VUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vur by Molmil](/molmil-images/mine/6vur) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT366 | Descriptor: | 2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-02-16 | Release date: | 2020-06-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
|
|
6VV3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vv3 by Molmil](/molmil-images/mine/6vv3) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1358 | Descriptor: | 2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-02-16 | Release date: | 2020-06-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
|
|
6VXR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vxr by Molmil](/molmil-images/mine/6vxr) | Structure of Maternal embryonic leucine zipper kinase bound to LDSM276 | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, Maternal embryonic leucine zipper kinase | Authors: | Counago, R.M, Takarada, J.E, dos Reis, C.V, Gama, F.H, Azevedo, H, Mascarello, A, Guimaraes, C.R, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-24 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Maternal embryonic leucine zipper kinase bound to LDSM276 To Be Published
|
|
6VUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vuw by Molmil](/molmil-images/mine/6vuw) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT368 | Descriptor: | (7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, GLYCEROL, N-acetyltransferase Eis, ... | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-02-16 | Release date: | 2020-06-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
|
|
2OGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ogo by Molmil](/molmil-images/mine/2ogo) | The crystal structure of the large ribosomal subunit from Deinococcus radiodurans complexed with the pleuromutilin derivative retapamulin (SB-275833) | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L3, Retapamulin | Authors: | Davidovich, C, Bashan, A, Auerbach-Nevo, T, Yonath, A. | Deposit date: | 2007-01-07 | Release date: | 2007-05-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.66 Å) | Cite: | Induced-fit tightens pleuromutilins binding to ribosomes and remote interactions enable their selectivity. Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
2OI8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oi8 by Molmil](/molmil-images/mine/2oi8) | Crystal structure of putative regulatory protein SCO4313 | Descriptor: | Putative regulatory protein SCO4313 | Authors: | Chang, C, Xu, X, Zheng, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-01-10 | Release date: | 2007-02-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of tetR family protein SCO4313 To be Published
|
|
6W33
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w33 by Molmil](/molmil-images/mine/6w33) | Crystal Structure of Class A Beta-lactamase from Bacillus cereus in the Complex with the Beta-lactamase Inhibitor Clavulanate | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ... | Authors: | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-03-08 | Release date: | 2020-03-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of Class A Beta-lactamase from
Bacillus cereus in the Complex with the Beta-lactamase Inhibitor Clavulanate To Be Published
|
|
6W3S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w3s by Molmil](/molmil-images/mine/6w3s) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-leucine | Descriptor: | GLYCEROL, LEUCINE, Methyl-accepting chemotaxis protein, ... | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | Deposit date: | 2020-03-09 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
|
|
6W8Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w8q by Molmil](/molmil-images/mine/6w8q) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | Descriptor: | 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid, Nonstructural polyprotein | Authors: | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | Deposit date: | 2020-03-21 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
|
|
6W0D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w0d by Molmil](/molmil-images/mine/6w0d) | Open-gate KcsA soaked in 5 mM BaCl2 | Descriptor: | BARIUM ION, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Rohaim, A, Gong, L, Li, J. | Deposit date: | 2020-02-29 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.639 Å) | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel. J.Mol.Biol., 432, 2020
|
|
6W0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w0j by Molmil](/molmil-images/mine/6w0j) | Closed-gate KcsA incubated in BaCl2/NaCl | Descriptor: | BARIUM ION, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Rohaim, A, Gong, L, Li, J. | Deposit date: | 2020-02-29 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel. J.Mol.Biol., 432, 2020
|
|
6W3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w3v by Molmil](/molmil-images/mine/6w3v) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-phenylalanine | Descriptor: | CHLORIDE ION, Methyl-accepting chemotaxis protein, PHENYLALANINE, ... | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | Deposit date: | 2020-03-09 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
|
|
2O34
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o34 by Molmil](/molmil-images/mine/2o34) | Crystal structure of protein DVU1097 from Desulfovibrio vulgaris Hildenborough, Pfam DUF375 | Descriptor: | Hypothetical protein, SODIUM ION | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-11-30 | Release date: | 2006-12-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of the Hypothetical Protein from Desulfovibrio vulgaris Hildenborough To be Published
|
|
4N84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n84 by Molmil](/molmil-images/mine/4n84) | Crystal structure of 14-3-3zeta in complex with a 12-carbon-linker cyclic peptide derived from ExoS | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | Deposit date: | 2013-10-17 | Release date: | 2014-02-19 | Last modified: | 2014-03-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
6X40
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x40 by Molmil](/molmil-images/mine/6x40) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus picrotoxin | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | Deposit date: | 2020-05-21 | Release date: | 2020-09-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines. Nature, 585, 2020
|
|
6X5M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x5m by Molmil](/molmil-images/mine/6x5m) | Crystal structure of a stabilized PAN ENE bimolecular triplex with a GC-clamped polyA tail, in complex with Fab-BL-3,6. | Descriptor: | Heavy chain Fab Bl-3 6, Light chain Fab BL-3 6, SULFATE ION, ... | Authors: | Swain, M, Li, M, Wlodawer, A, Le Grice, S.F.J. | Deposit date: | 2020-05-26 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dynamic bulge nucleotides in the KSHV PAN ENE triple helix provide a unique binding platform for small molecule ligands. Nucleic Acids Res., 49, 2021
|
|
7TAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tad by Molmil](/molmil-images/mine/7tad) | CryoEM structure of the (NPR1)2-(TGA3)2 complex | Descriptor: | PALMITIC ACID, Regulatory protein NPR1, Transcription factor TGA3, ... | Authors: | Wu, Q, Zhou, Y, Bartesaghi, A, Dong, X, Zhou, P. | Deposit date: | 2021-12-20 | Release date: | 2022-03-16 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of NPR1 in activating plant immunity. Nature, 605, 2022
|
|
6WYB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wyb by Molmil](/molmil-images/mine/6wyb) | RTX (Reverse Transcription Xenopolymerase) in complex with an RNA/DNA hybrid | Descriptor: | 1,2-ETHANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, DNA polymerase, ... | Authors: | Choi, W.S, He, P, Pothukuchy, A, Gollihar, J, Ellington, A.D, Yang, W. | Deposit date: | 2020-05-12 | Release date: | 2020-08-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | How a B family DNA polymerase has been evolved to copy RNA. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6WRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wrh by Molmil](/molmil-images/mine/6wrh) | The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant | Descriptor: | CHLORIDE ION, GLYCEROL, Non-structural protein 3, ... | Authors: | Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Welk, L, Babnigg, G, Kim, Y, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-29 | Release date: | 2020-05-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors. Nat Commun, 12, 2021
|
|
6WYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wyu by Molmil](/molmil-images/mine/6wyu) | Crystallographic trimer of metal-free TriCyt2 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, HEME C, SULFATE ION, ... | Authors: | Tezcan, F.A, Kakkis, A. | Deposit date: | 2020-05-13 | Release date: | 2020-09-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Metal-Templated Design of Chemically Switchable Protein Assemblies with High-Affinity Coordination Sites. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
7TAC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tac by Molmil](/molmil-images/mine/7tac) | Cryo-EM structure of the (TGA3)2-(NPR1)2-(TGA3)2 complex | Descriptor: | PALMITIC ACID, Regulatory protein NPR1, Transcription factor TGA3, ... | Authors: | Wu, Q, Zhou, Y, Bartesaghi, A, Dong, X, Zhou, P. | Deposit date: | 2021-12-20 | Release date: | 2022-03-16 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of NPR1 in activating plant immunity. Nature, 605, 2022
|
|
6WYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wyy by Molmil](/molmil-images/mine/6wyy) | Crystal structure of Pseudomonas 7A Glutaminase-Asparaginase in complex with L-Glu at pH 6.5 | Descriptor: | 1,2-ETHANEDIOL, GLUTAMIC ACID, GLYCEROL, ... | Authors: | Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J. | Deposit date: | 2020-05-13 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria. Sci Rep, 10, 2020
|
|