6CM4
 
 | | Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone | | Descriptor: | 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, D(2) dopamine receptor, endolysin chimera, ... | | Authors: | Wang, S, Che, T, Levit, A, Shoichet, B.K, Wacker, D, Roth, B.L. | | Deposit date: | 2018-03-02 | | Release date: | 2018-03-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.867 Å) | | Cite: | Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone.
Nature, 555, 2018
|
|
6CL9
 | | 2.20 A MicroED structure of proteinase K at 4.3 e- / A^2 | | Descriptor: | Proteinase K | | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | Deposit date: | 2018-03-02 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.2 Å) | | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
|
|
6CLG
 | | 1.35 A MicroED structure of GSNQNNF at 2.4 e- / A^2 | | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | Deposit date: | 2018-03-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.35 Å) | | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
|
|
6CLN
 | | 1.15 A MicroED structure of GSNQNNF at 1.8 e- / A^2 | | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | Deposit date: | 2018-03-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.15 Å) | | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
|
|
1LXJ
 | | X-RAY STRUCTURE OF YBL001c NORTHEAST STRUCTURAL GENOMICS (NESG) CONSORTIUM TARGET YTYst72 | | Descriptor: | HYPOTHETICAL 11.5KDA PROTEIN IN HTB2-NTH2 INTERGENIC REGION, SULFATE ION | | Authors: | Tao, X, Khayat, R, Christendat, D, Savchenko, A, Xu, X, Edwards, A, Arrowsmith, C.H, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-06-05 | | Release date: | 2003-07-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | CRYSTAL STRUCTURES OF MTH1187 AND ITS YEAST ORTHOLOG YBL001C
Proteins, 52, 2003
|
|
6CMS
 | | Closed structure of active SHP2 mutant E76K bound to SHP099 inhibitor | | Descriptor: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | | Deposit date: | 2018-03-06 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
|
|
1M0G
 | | Solution structure of the alpha domain of mt_nc | | Descriptor: | CADMIUM ION, metallothionein MT_nc | | Authors: | Capasso, C, Carginale, V, Crescenzi, O, Di Maro, D, Parisi, E, Spadaccini, R, Temussi, P.A. | | Deposit date: | 2002-06-13 | | Release date: | 2003-05-06 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of MT_nc, a Novel Metallothionein from the Antarctic Fish Notothenia coriiceps.
Structure, 11, 2003
|
|
4RAB
 | | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Keough, D.T, Hockov, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | | Deposit date: | 2014-09-10 | | Release date: | 2015-01-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.264 Å) | | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.
J.Med.Chem., 58, 2015
|
|
1M7L
 | | Solution Structure of the Coiled-Coil Trimerization Domain from Lung Surfactant Protein D | | Descriptor: | Pulmonary surfactant-associated protein D | | Authors: | Kovacs, H, O'Donoghue, S.I, Hoppe, H.-J, Comfort, D, Reid, K.B.M, Campbell, I.D, Nilges, M. | | Deposit date: | 2002-07-22 | | Release date: | 2002-11-27 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the coiled-coil trimerization domain from lung surfactant protein D
J.BIOMOL.NMR, 24, 2002
|
|
6ISU
 | | Crystal structure of Lys27-linked di-ubiquitin in complex with its selective interacting protein UCHL3 | | Descriptor: | Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L3 | | Authors: | Ding, S, Pan, M, Zheng, Q, Ren, Y, Hong, D. | | Deposit date: | 2018-11-19 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.866 Å) | | Cite: | Chemical Protein Synthesis Enabled Mechanistic Studies on the Molecular Recognition of K27-linked Ubiquitin Chains.
Angew. Chem. Int. Ed. Engl., 58, 2019
|
|
1M8V
 | | Structure of Pyrococcus abyssii Sm Protein in Complex with a Uridine Heptamer | | Descriptor: | 5'-R(P*UP*UP*UP*UP*UP*UP*U)-3', CALCIUM ION, PUTATIVE SNRNP SM-LIKE PROTEIN, ... | | Authors: | Thore, S, Mayer, C, Sauter, C, Weeks, S, Suck, D. | | Deposit date: | 2002-07-26 | | Release date: | 2003-02-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Pyrococcus abyssii Sm core and its Complex with RNA: Common Features of RNA-binding in Archaea and Eukarya
J.Biol.Chem., 278, 2003
|
|
6COM
 | | 2.3A crystal structure of E. coli phosphoenolpyruvate carboxykinase mutant Asp269Asn | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Sokaribo, A.S, Cotelesage, J.H, Novakovski, B, Goldie, H, Sanders, D. | | Deposit date: | 2018-03-12 | | Release date: | 2018-04-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Kinetic and structural analysis of Escherichia coli phosphoenolpyruvate carboxykinase mutants.
Biochim Biophys Acta Gen Subj, 1864, 2020
|
|
6GSH
 | | Feline Calicivirus Strain F9 | | Descriptor: | POTASSIUM ION, VP1 | | Authors: | Conley, M.J, Bhella, D. | | Deposit date: | 2018-06-14 | | Release date: | 2019-01-16 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Calicivirus VP2 forms a portal-like assembly following receptor engagement.
Nature, 565, 2019
|
|
6CPG
 | | Structure of dephosphorylated Aurora A (122-403) in complex with inhibiting monobody and AT9283 in an inactive conformation | | Descriptor: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Aurora kinase A, Monobody | | Authors: | Otten, R, Kutter, S, Zorba, A, Padua, R.A.P, Koide, A, Koide, S, Kern, D. | | Deposit date: | 2018-03-13 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
|
|
1LVW
 | | Crystal structure of glucose-1-phosphate thymidylyltransferase, RmlA, complex with dTDP | | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Dong, A, Christendat, D, Pai, E.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-05-29 | | Release date: | 2003-07-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of glucose-1-phosphate thymidylyltransferase, RmlA, complex with dTDP
To be Published
|
|
6CFT
 | |
6GTP
 | | Structure of the AtaT Y144F mutant toxin | | Descriptor: | ACETYL COENZYME *A, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Garcia-Pino, A, Jurenas, D. | | Deposit date: | 2018-06-18 | | Release date: | 2019-03-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism of regulation and neutralization of the AtaR-AtaT toxin-antitoxin system.
Nat. Chem. Biol., 15, 2019
|
|
1M9G
 | | Solution structure of G16A-MNEI, a structural mutant of single chain monellin MNEI | | Descriptor: | Monellin chain B and Monellin chain A | | Authors: | Spadaccini, R, Trabucco, F, Saviano, G, Picone, D, Crescenzi, O, Tancredi, T, Temussi, P.A. | | Deposit date: | 2002-07-29 | | Release date: | 2003-06-10 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The Mechanism of Interaction of Sweet Proteins with the T1R2-T1R3 Receptor: Evidence from the Solution Structure of G16A-MNEI
J.MOL.BIOL., 328, 2003
|
|
7A3V
 | | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with 3-hydroxysulfolane | | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxythietane-1,1-dioxide, GLYCEROL, ... | | Authors: | Nguyen, D, Heine, A, Klebe, G. | | Deposit date: | 2020-08-18 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
|
|
6CGZ
 | | Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to C6-AHL | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ... | | Authors: | Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M. | | Deposit date: | 2018-02-21 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties.
Sci Rep, 8, 2018
|
|
7A3X
 | | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with sulfolane | | Descriptor: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... | | Authors: | Nguyen, D, Heine, A, Klebe, G. | | Deposit date: | 2020-08-18 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
|
|
7A6D
 | | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-4,4-difluorocyclopentane-1,2-diol | | Descriptor: | (1~{R},2~{R})-4,4-bis(fluoranyl)cyclopentane-1,2-diol, 1,2-ETHANEDIOL, GLYCEROL, ... | | Authors: | Nguyen, D, Heine, A, Klebe, G. | | Deposit date: | 2020-08-25 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
|
|
4HCW
 | |
6GVE
 | | GAPDH-CP12-PRK complex | | Descriptor: | CP12 polypeptide, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | McFarlane, C.R, Shah, N, Bubeck, D, Murray, J.W. | | Deposit date: | 2018-06-20 | | Release date: | 2019-07-03 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis of light-induced redox regulation in the Calvin-Benson cycle in cyanobacteria.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
7A4K
 | | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with tetramethylene sulfoxide | | Descriptor: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... | | Authors: | Nguyen, D, Heine, A, Klebe, G. | | Deposit date: | 2020-08-19 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
|
|
