5M70
 
 | | Crystal Structure of human RhoGAP mutated in its arginin finger (R85A) in complex with RhoA.GDP.AlF4- human | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | | Authors: | Pellegrini, E, Bowler, M.W. | | Deposit date: | 2016-10-26 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches.
Angew. Chem. Int. Ed. Engl., 56, 2017
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3HY0
 | | Crystal Structure of catalytic fragment of E. coli AlaRS G237A in complex with GlySA | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-(glycylsulfamoyl)adenosine, ... | | Authors: | Guo, M, Yang, X.-L, Schimmel, P. | | Deposit date: | 2009-06-22 | | Release date: | 2009-12-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
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5M6X
 | | Crystal Structure of human RhoGAP mutated in its arginine finger (R85A) in complex with RhoA.GDP.MgF3- human | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | | Authors: | Pellegrini, E, Bowler, M.W. | | Deposit date: | 2016-10-26 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches.
Angew. Chem. Int. Ed. Engl., 56, 2017
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3HXZ
 | | Crystal Structure of catalytic fragment of E. coli AlaRS G237A in complex with AlaSA | | Descriptor: | '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Guo, M, Yang, X.-L, Schimmel, P. | | Deposit date: | 2009-06-22 | | Release date: | 2009-12-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
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5MSU
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5MTK
 | | Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199) | | Descriptor: | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | | Deposit date: | 2017-01-09 | | Release date: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Playing against the odds: scaffold hopping from 3D-fragments
To Be Published
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5MSO
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5MSP
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5MSV
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5MMV
 | | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) | | Descriptor: | (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | | Deposit date: | 2016-12-12 | | Release date: | 2017-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1)
To Be Published
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5N5V
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5LDK
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5LDP
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5LDJ
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7LY5
 | | Proteolyzed crystal structure of the bacillamide NRPS, BmdB, in complex with the oxidase BmdC | | Descriptor: | BmdB, Bacillamide NRPS, BmdC, ... | | Authors: | Fortinez, C.M, Schmeing, T.M. | | Deposit date: | 2021-03-05 | | Release date: | 2022-02-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures and function of a tailoring oxidase in complex with a nonribosomal peptide synthetase module.
Nat Commun, 13, 2022
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7LY7
 | | Crystal structure of the elongation module of the bacillamide NRPS, BmdB, in complex with the oxidase BmdC | | Descriptor: | 5'-{[(2R,3S)-3-amino-2-({2-[(N-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine, BmdB, Bacillamide NRPS, ... | | Authors: | Fortinez, C.M, Sharon, I, Schmeing, T.M. | | Deposit date: | 2021-03-05 | | Release date: | 2022-02-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structures and function of a tailoring oxidase in complex with a nonribosomal peptide synthetase module.
Nat Commun, 13, 2022
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5MSR
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5N6O
 | | Wild type human Rac1-GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related C3 botulinum toxin substrate 1 | | Authors: | Cherfils, J, Ferrandez, Y. | | Deposit date: | 2017-02-15 | | Release date: | 2017-12-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Allosteric inhibition of the guanine nucleotide exchange factor DOCK5 by a small molecule.
Sci Rep, 7, 2017
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6MY1
 | | Solution structure of gomesin at 278 K | | Descriptor: | gomesin | | Authors: | Chin, Y.K.-Y, Deplazes, E. | | Deposit date: | 2018-10-31 | | Release date: | 2019-11-06 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The unusual conformation of cross-strand disulfide bonds is critical to the stability of beta-hairpin peptides.
Proteins, 88, 2020
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7LT3
 | | NHEJ Long-range synaptic complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (30-MER), DNA (31-MER), ... | | Authors: | He, Y, Chen, S. | | Deposit date: | 2021-02-18 | | Release date: | 2021-04-14 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural basis of long-range to short-range synaptic transition in NHEJ.
Nature, 593, 2021
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5LDQ
 | | Crystal structure of E.coli LigT complexed with NADP+ | | Descriptor: | CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL, ... | | Authors: | Myllykoski, M, Kursula, P. | | Deposit date: | 2016-06-27 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural aspects of nucleotide ligand binding by a bacterial 2H phosphoesterase.
PLoS ONE, 12, 2017
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3HXW
 | | Crystal Structure of catalytic fragment of E. coli AlaRS in complex with SerSA | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, ... | | Authors: | Guo, M, Yang, X.-L, Schimmel, P. | | Deposit date: | 2009-06-22 | | Release date: | 2009-12-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
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3HY1
 | | Crystal Structure of catalytic fragment of E. coli AlaRS G237A in complex with SerSA | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-HYDROXYETHYL DISULFIDE, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, ... | | Authors: | Guo, M, Yang, X.-L, Schimmel, P. | | Deposit date: | 2009-06-22 | | Release date: | 2009-12-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
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3HXV
 | | Crystal Structure of catalytic fragment of E. coli AlaRS in complex with GlySA | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-(glycylsulfamoyl)adenosine, ... | | Authors: | Guo, M, Yang, X.-L, Schimmel, P. | | Deposit date: | 2009-06-22 | | Release date: | 2009-12-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
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7KYD
 | | Drosophila melanogaster long-chain fatty-acyl-CoA synthetase CG6178 | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy(octanoyloxy)phosphoryl]adenosine, Long-chain fatty-acyl-CoA synthetase CG6178 | | Authors: | Adams, S.T, Zephyr, J, Bohn, M.F, Schiffer, C.A, Miller, S.C. | | Deposit date: | 2020-12-07 | | Release date: | 2022-01-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | FruitFire: a luciferase based on a fruit fly metabolic enzyme.
Biorxiv, 2023
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