5LUV
| |
5LV4
| Crystal structure of mouse PRMT6 in complex with inhibitor LH1236 | Descriptor: | (2~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid, Protein arginine N-methyltransferase 6 | Authors: | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-09-12 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors. Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
|
|
5F0W
| |
6FK5
| Structure of 3' phosphatase NExo (D146N) from Neisseria bound to DNA substrate in presence of magnesium ion | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(P*CP*TP*AP*GP*CP*GP*AP*AP*GP*CP*TP*AP*GP*A)-3'), MAGNESIUM ION, ... | Authors: | Silhan, J, Zhao, Q, Boura, E, Thomson, H, Foster, A, Tang, C.M, Freemont, P.S, Baldwin, G.S. | Deposit date: | 2018-01-23 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural basis for recognition and repair of the 3'-phosphate by NExo, a base excision DNA repair nuclease from Neisseria meningitidis. Nucleic Acids Res., 46, 2018
|
|
6FFC
| Structure of an inhibitor-bound ABC transporter | Descriptor: | ATP-binding cassette sub-family G member 2, ~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate | Authors: | Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Taylor, N.M.I, Bause, M, Bauer, S, Bartholomaeus, R, Stahlberg, H, Bernhardt, G, Koenig, B, Buschauer, A, Altmann, K.H, Locher, K.P. | Deposit date: | 2018-01-06 | Release date: | 2018-04-11 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.56 Å) | Cite: | Structural basis of small-molecule inhibition of human multidrug transporter ABCG2. Nat. Struct. Mol. Biol., 25, 2018
|
|
5F4C
| Crystal Structure of Ribonuclease Inhibitor Barstar from Salmonella Typhimurium | Descriptor: | MALONATE ION, Putative cytoplasmic protein | Authors: | Maltseva, N, Kim, Y, Mulligan, R, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-03 | Release date: | 2015-12-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of Ribonuclease Inhibitor Barstar from Salmonella Typhimurium. To Be Published
|
|
6FIV
| STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR | Descriptor: | RETROPEPSIN, SULFATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | Authors: | Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A. | Deposit date: | 1998-12-02 | Release date: | 1998-12-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease Proteins, 38, 2000
|
|
5LCC
| Oceanobacillus iheyensis macrodomain mutant D40A | Descriptor: | MACROD-TYPE MACRODOMAIN | Authors: | Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A. | Deposit date: | 2016-06-20 | Release date: | 2017-05-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis. Open Biol, 7, 2017
|
|
5F73
| Crystal structure of Mutant S12T of Adenosine/Methylthioadenosine Phosphorylase in APO form | Descriptor: | Methylthioadenosine phosphorylase, SULFATE ION | Authors: | Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M. | Deposit date: | 2015-12-07 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway. PLoS Negl Trop Dis, 10, 2016
|
|
5LF4
| Human 20S proteasome complex with Delanzomib at 2.0 Angstrom | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
|
|
5LF6
| Human 20S proteasome complex with Z-LLY-ketoaldehyde at 2.1 Angstrom | Descriptor: | CHLORIDE ION, LLY-ketoaldehyde peptide, MAGNESIUM ION, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
|
|
6D1T
| Complex of MBD1-MBD and methylated DNA | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 1, UNKNOWN ATOM OR ION | Authors: | Liu, K, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-04-12 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Complex of MBD1-MBD and methylated DNA to be published
|
|
5M7D
| |
5H2T
| |
6CRX
| SARS Spike Glycoprotein, Stabilized variant, two S1 CTDs in the upwards conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ... | Authors: | Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B. | Deposit date: | 2018-03-19 | Release date: | 2018-04-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis. Sci Rep, 8, 2018
|
|
5MDL
| Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its O2-derivatized form by a "soak-and-freeze" derivatization method | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE3-S4 CLUSTER, ... | Authors: | Kalms, J, Schmidt, A, Scheerer, P. | Deposit date: | 2016-11-11 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
5GWM
| |
6D3Q
| Crystal structure of Escherichia coli enolase complexed with a natural inhibitor SF2312. | Descriptor: | Enolase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Erlandsen, H, Krucinska, J, Hazeen, A, Wright, D. | Deposit date: | 2018-04-16 | Release date: | 2019-11-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate. Sci Rep, 9, 2019
|
|
5G5E
| Crystallographic structure of the Tau class glutathione S-transferase MiGSTU from mango Mangifera indica L. | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, TAU CLASS GLUTATHIONE S-TRANSFERASE | Authors: | Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A, Hernandez-Paredes, J, Sotelo-Mundo, R. | Deposit date: | 2016-05-24 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights Into Ligand Binding to a Glutathione S-Transferase from Mango: Structure, Thermodynamics and Kinetics Biochimie, 135, 2017
|
|
5GAJ
| Solution NMR structure of De novo designed PLOOP2X3_50 fold protein, Northeast Structural Genomics Consortium (NESG) target OR258 | Descriptor: | DE NOVO DESIGNED PROTEIN OR258 | Authors: | Liu, G, Castelllanos, J, Koga, R, Koga, N, Xiao, R, Pederson, K, Janjua, H, Kohan, E, Acton, T.B, Kornhaber, G, Everett, J, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-12-01 | Release date: | 2016-01-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR structure De novo designed PLOOP2X3_50 fold protein, Northeast Structural Genomics Consortium (NESG) target OR258 To Be Published
|
|
6CRW
| SARS Spike Glycoprotein, Stabilized variant, single upwards S1 CTD conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ... | Authors: | Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B. | Deposit date: | 2018-03-19 | Release date: | 2018-04-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis. Sci Rep, 8, 2018
|
|
6D05
| Cryo-EM structure of a Plasmodium vivax invasion complex essential for entry into human reticulocytes; two molecules of parasite ligand, subclass 2. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Gruszczyk, J, Huang, R.K, Hong, C, Yu, Z, Tham, W.H. | Deposit date: | 2018-04-10 | Release date: | 2018-06-20 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structure of an essential Plasmodium vivax invasion complex. Nature, 559, 2018
|
|
5G6V
| Crystal structure of the PCTAIRE1 kinase in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, CYCLIN-DEPENDENT KINASE 16 | Authors: | Dixon-Clarke, S.E, Galan Bartual, S, Elkins, J, Savitsky, P, Kopec, J, Mackenzie, A, Tallant, C, Heroven, C, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2016-08-16 | Release date: | 2016-11-23 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16. Biochem.J., 474, 2017
|
|
5G4W
| S. enterica HisA mutant D7N, D10G, Dup13-15 (VVR) with substrate ProFAR | Descriptor: | GLYCEROL, HISA, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2016-05-17 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5G5I
| S. enterica HisA mutant D10G | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2016-05-25 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|