4RWN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rwn by Molmil](/molmil-images/mine/4rwn) | Crystal structure of the pre-reactive state of porcine OAS1 | Descriptor: | 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity. Structure, 23, 2015
|
|
5A2I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a2i by Molmil](/molmil-images/mine/5a2i) | Crystal structure of scFv-SM3 in complex with APD-SGalNAc-RP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ... | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2015-05-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
7M2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m2j by Molmil](/molmil-images/mine/7m2j) | |
3R1Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r1q by Molmil](/molmil-images/mine/3r1q) | CDK2 in complex with inhibitor KVR-1-102 | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-11 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
|
|
2BBF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bbf by Molmil](/molmil-images/mine/2bbf) | Crystal structure of tRNA-guanine transglycosylase (TGT) from Zymomonas mobilis in complex with 6-amino-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, ZINC ION, tRNA guanine transglycosylase | Authors: | Stengl, B, Meyer, E.A, Heine, A, Brenk, R, Diederich, F, Klebe, G. | Deposit date: | 2005-10-17 | Release date: | 2007-04-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding. J.Mol.Biol., 370, 2007
|
|
7M2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m2h by Molmil](/molmil-images/mine/7m2h) | |
5A29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a29 by Molmil](/molmil-images/mine/5a29) | Family 2 Pectate Lyase from Vibrio vulnificus | Descriptor: | 1,2-ETHANEDIOL, EXOPOLYGALACTURONATE LYASE, MANGANESE (II) ION, ... | Authors: | McLean, R, Hobbs, J.K, Suits, M.D, Tuomivaara, S, Jones, D, Boraston, A.B, Abbott, D.W. | Deposit date: | 2015-05-15 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Functional Analyses of Resurrected and Contemporary Enzymes Illuminate an Evolutionary Path for the Emergence of Exolysis in Polysaccharide Lyase Family 2. J.Biol.Chem., 290, 2015
|
|
7ML8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ml8 by Molmil](/molmil-images/mine/7ml8) | The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ001023038 | Descriptor: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide, GLUTAMIC ACID, Hexa Vinylpyrrolidone K15, ... | Authors: | Cuypers, M.G, Slavish, P.J, Yun, M.K, Dubois, R, Rankovic, Z, White, S.W. | Deposit date: | 2021-04-27 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with St Jude compound AC067-19 To Be Published
|
|
3R1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r1z by Molmil](/molmil-images/mine/3r1z) | Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Complex with L-Ala-L-Glu and L-Ala-D-Glu | Descriptor: | ALANINE, D-GLUTAMIC ACID, Enzyme of enolase superfamily, ... | Authors: | Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-03-11 | Release date: | 2011-04-20 | Last modified: | 2012-03-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
7LUP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lup by Molmil](/molmil-images/mine/7lup) | Human TRiC/CCT complex with reovirus outer capsid protein sigma-3 | Descriptor: | Outer capsid protein sigma-3, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ... | Authors: | Knowlton, J.J, Gestaut, D, Ma, B, Taylor, G, Seven, A.B, Leitner, A, Wilson, G.J, Shanker, S, Yates, N.A, Prasad, B.V.V, Aebersold, R, Chiu, W, Frydman, J, Dermody, T.S. | Deposit date: | 2021-02-22 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Structural and functional dissection of reovirus capsid folding and assembly by the prefoldin-TRiC/CCT chaperone network. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
4TXN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4txn by Molmil](/molmil-images/mine/4txn) | Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with 5-fluorouracil | Descriptor: | 5-FLUOROURACIL, SULFATE ION, Uridine phosphorylase | Authors: | Marinho, A, Torini, J, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2014-07-03 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function. Biochimie, 125, 2016
|
|
5A21
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a21 by Molmil](/molmil-images/mine/5a21) | Structure of bacteriophage SPP1 head-to-tail interface without DNA and tape measure protein | Descriptor: | 15 PROTEIN, HEAD COMPLETION PROTEIN GP16, MAJOR TAIL PROTEIN 17.1, ... | Authors: | Chaban, Y, Lurz, R, Brasiles, S, Cornilleau, C, Karreman, M, Zinn-Justin, S, Tavares, P, Orlova, E.V. | Deposit date: | 2015-05-06 | Release date: | 2015-06-03 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.2 Å) | Cite: | Structural Rearrangements in the Phage Head-to-Tail Interface During Assembly and Infection. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
5NSJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nsj by Molmil](/molmil-images/mine/5nsj) | GP1 receptor-binding domain from Whitewater Arroyo mammarenavirus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pre-glycoprotein polyprotein GP complex, ... | Authors: | Shimon, A, Shani, O, Diskin, R. | Deposit date: | 2017-04-26 | Release date: | 2017-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Structural Basis for Receptor Selectivity by the Whitewater Arroyo Mammarenavirus. J. Mol. Biol., 429, 2017
|
|
7LUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lum by Molmil](/molmil-images/mine/7lum) | Human TRiC in ATP/AlFx closed state | Descriptor: | T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... | Authors: | Knowlton, J.J, Gestaut, D, Ma, B, Taylor, G, Seven, A.B, Leitner, A, Wilson, G.J, Shanker, S, Yates, N.A, Prasad, B.V.V, Aebersold, R, Chiu, W, Frydman, J, Dermody, T.S. | Deposit date: | 2021-02-22 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structural and functional dissection of reovirus capsid folding and assembly by the prefoldin-TRiC/CCT chaperone network. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
5A2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a2j by Molmil](/molmil-images/mine/5a2j) | Crystal structure of scFv-SM3 in complex with the naked peptide APDTRP | Descriptor: | 1,2-ETHANEDIOL, SCFV-SM3, THE NAKED PEPTIDE APDTRP | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2015-05-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
5NSS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nss by Molmil](/molmil-images/mine/5nss) | Cryo-EM structure of RNA polymerase-sigma54 holoenzyme with promoter DNA and transcription activator PspF intermedate complex | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta',DNA-directed RNA polymerase subunit beta',DNA-directed RNA polymerase subunit beta', ... | Authors: | Glyde, R, Ye, F.Z, Darbari, V.C, Zhang, N, Buck, M, Zhang, X.D. | Deposit date: | 2017-04-26 | Release date: | 2017-06-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Structures of RNA Polymerase Closed and Intermediate Complexes Reveal Mechanisms of DNA Opening and Transcription Initiation. Mol. Cell, 67, 2017
|
|
4U2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u2h by Molmil](/molmil-images/mine/4u2h) | |
5A4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a4w by Molmil](/molmil-images/mine/5a4w) | AtGSTF2 from Arabidopsis thaliana in complex with quercetrin | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, ACETATE ION, GLUTATHIONE S-TRANSFERASE F2 | Authors: | Ahmad, L, Rylott, E, Bruce, N.C, Edwards, R, Grogan, G. | Deposit date: | 2015-06-15 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands. FEBS Open Bio, 7, 2017
|
|
5AKT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5akt by Molmil](/molmil-images/mine/5akt) | Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: resveratrol-4'-O- glucuronide | Descriptor: | Resveratrol-4'-O-glucuronide, SULFATE ION, TRANSTHYRETIN | Authors: | Florio, P, Folli, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R. | Deposit date: | 2015-03-05 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites J.Biol.Chem., 290, 2015
|
|
5AG5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ag5 by Molmil](/molmil-images/mine/5ag5) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | Descriptor: | (2R)-3-benzyl-2-(1H-indazol-5-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | Deposit date: | 2015-01-29 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode. Chemmedchem, 10, 2015
|
|
4TX1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tx1 by Molmil](/molmil-images/mine/4tx1) | |
5AKN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5akn by Molmil](/molmil-images/mine/5akn) | THE CRYSTAL STRUCTURE OF I-DMOI Q42AK120M IN COMPLEX WITH ITS TARGET DNA NICKED IN THE non-CODING STRAND B AND IN THE PRESENCE OF 2MM MN | Descriptor: | 5'-D(*CP*CP*GP*GP*CP*AP*AP*GP*GP*CP)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP *CP*GP*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*C)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', ... | Authors: | Molina, R, Marcaida, M.J, Redondo, P, Marenchino, M, D'Abramo, M, Montoya, G, Prieto, J. | Deposit date: | 2015-03-04 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold. J.Biol.Chem., 290, 2015
|
|
4TXH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4txh by Molmil](/molmil-images/mine/4txh) | Crystal structure of uridine phosphorylase from Schistosoma mansoni in APO form | Descriptor: | SULFATE ION, Uridine phosphorylase | Authors: | Torini, J, Romanello, L, Marinho, A, Brandao-Neto, J, Cassago, A, DeMarco, R, Pereira, H.M. | Deposit date: | 2014-07-03 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function. Biochimie, 125, 2016
|
|
4TYI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tyi by Molmil](/molmil-images/mine/4tyi) | Structural analysis of the human Fibroblast Growth Factor Receptor 4 | Descriptor: | 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural analysis of the human fibroblast growth factor receptor 4 kinase. J.Mol.Biol., 426, 2014
|
|
2H76
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h76 by Molmil](/molmil-images/mine/2h76) | |