5U5Z
| CcP gateless cavity | Descriptor: | 4-methyl-2-phenyl-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8J84
| Short ago complexed with TIR-APAZ | Descriptor: | Piwi domain-containing protein, TIR domain-containing protein | Authors: | Guo, L.J, Huang, P.P, Li, Z.X, Xiao, Y.B, Chen, M.R. | Deposit date: | 2023-04-30 | Release date: | 2024-03-13 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system. Nat.Chem.Biol., 20, 2024
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5U5V
| CcP gateless cavity | Descriptor: | 1H-benzimidazol-4-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.222 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U61
| CcP gateless cavity | Descriptor: | 5-cyclopropyl-1H-imidazol-2-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.222 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8JAY
| CrtSPARTA Octamer bound with guide-target | Descriptor: | DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ... | Authors: | Guo, L.J, Huang, P.P, Li, Z.X, Xiao, Y.B, Chen, M.R. | Deposit date: | 2023-05-07 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system. Nat.Chem.Biol., 20, 2024
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7ON3
| SaFtsZ complexed with GDP (soak 10 mM EGTA) | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2021-05-25 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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7OJD
| SaFtsZ(D46A) complexed with GDP | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2021-05-14 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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7OMP
| SaFtsZ complexed with GDPPCP and Mg2+ | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, MAGNESIUM ION, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2021-05-24 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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7ON4
| SaFtsZ complexed with GDP (co-crystalization with 1mM EDTA) | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2021-05-25 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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7OJC
| SaFtsZ(Q48A) complexed with GDP | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2021-05-14 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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7OMQ
| SaFtsZ complexed with GDPPCP and Mn2+ | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, MANGANESE (II) ION, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2021-05-24 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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7OJA
| SaFtsZ(D210N) complexed with GDP | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2021-05-14 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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7ON2
| SaFtsZ complexed with GDP (soaking in 10 mM CyDTA) | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2021-05-25 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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7OMJ
| SaFtsZ complexed with GDPPCP | Descriptor: | Cell division protein FtsZ, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, POTASSIUM ION | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2021-05-24 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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7OJZ
| SaFtsZ complexed with GMPCP | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2021-05-17 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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7OJB
| SaFtsZ(R143K) complexed with GDP | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | Deposit date: | 2021-05-14 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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7OPQ
| Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188 | Descriptor: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one, GLYCEROL, MAGNESIUM ION, ... | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | Deposit date: | 2021-06-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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7OPR
| Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CB1 in C123 | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | Deposit date: | 2021-06-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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8JES
| Cryo-EM structure of DltB homo-tetramer | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, DIACYL GLYCEROL, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Zhang, P, Liu, Z. | Deposit date: | 2023-05-16 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Structural insights into the transporting and catalyzing mechanism of DltB in LTA D-alanylation. Nat Commun, 15, 2024
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7OPP
| Crystal structure of the Rab27a fusion with Slp2a-RBDa1 effector for SF4 pocket drug targeting | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Synaptotagmin-like protein 2,Ras-related protein Rab-27A | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | Deposit date: | 2021-06-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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5U5U
| CcP gateless cavity | Descriptor: | ISONICOTINAMIDINE, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8JF2
| Cryo-EM structure of tetrameric DltB/DltC complex | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, D-alanyl carrier protein, DIACYL GLYCEROL, ... | Authors: | Zhang, P, Liu, Z. | Deposit date: | 2023-05-17 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural insights into the transporting and catalyzing mechanism of DltB in LTA D-alanylation. Nat Commun, 15, 2024
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5U5Y
| CcP gateless cavity | Descriptor: | 2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U60
| CcP gateless cavity | Descriptor: | (4E)-4-hydrazinylidene-1,4-dihydroquinoline, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7OTC
| Cryo-EM structure of an Escherichia coli 70S ribosome in complex with elongation factor G and the antibiotic Argyrin B | Descriptor: | 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 23S ribosomal RNA, ... | Authors: | Wieland, M, Koller, T.O, Wilson, D.N. | Deposit date: | 2021-06-10 | Release date: | 2022-05-11 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | The cyclic octapeptide antibiotic argyrin B inhibits translation by trapping EF-G on the ribosome during translocation. Proc.Natl.Acad.Sci.USA, 119, 2022
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