6G80
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3ER3
| The active site of aspartic proteinases | Descriptor: | 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN | Authors: | Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L. | Deposit date: | 1991-01-02 | Release date: | 1991-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Active Site of Aspartic Proteinases FEBS Lett., 174, 1984
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6GS8
| Crystal structure of SmbA in complex with c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, Uncharacterized protein | Authors: | Dubey, B.N, Schirmer, T. | Deposit date: | 2018-06-13 | Release date: | 2019-07-31 | Last modified: | 2022-07-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Reciprocal growth control by competitive binding of nucleotide second messengers to a metabolic switch in Caulobacter crescentus Nat Microbiol, 2021
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6GTH
| Serial Femtosecond Crystallography at Megahertz pulse rates | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H. | Deposit date: | 2018-06-18 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Megahertz serial crystallography. Nat Commun, 9, 2018
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6GTM
| Crystal structure of SmbA in complex with ppGpp. | Descriptor: | GUANOSINE-5',3'-TETRAPHOSPHATE, SmbA | Authors: | Dubey, B.N, Schirmer, T. | Deposit date: | 2018-06-18 | Release date: | 2019-07-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Reciprocal growth control by competitive binding of nucleotide second messengers to a metabolic switch in Caulobacter crescentus Nat Microbiol, 2021
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6GL6
| apo [FeFe]-hydrogenase HydA1 from Chlamydomonas reinhardtii, variant C377H | Descriptor: | CHLORIDE ION, Fe-hydrogenase, IRON/SULFUR CLUSTER, ... | Authors: | Kertess, L, Happe, T, Hofmann, E. | Deposit date: | 2018-05-23 | Release date: | 2018-12-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | His-Ligation to the [4Fe-4S] Subcluster Tunes the Catalytic Bias of [FeFe] Hydrogenase. J.Am.Chem.Soc., 141, 2019
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6GZ7
| Polyamide - DNA complex NMR structure | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*G)-3'), dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium | Authors: | Aman, K. | Deposit date: | 2018-07-03 | Release date: | 2018-11-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural and Kinetic Profiling of Allosteric Modulation of Duplex DNA Induced by DNA-Binding Polyamide Analogues. Chemistry, 25, 2019
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5MG0
| Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography | Descriptor: | 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ... | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M. | Deposit date: | 2016-11-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers. Nat. Methods, 14, 2017
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5MU7
| Crystal Structure of the beta/delta-COPI Core Complex | Descriptor: | Coatomer subunit beta, Coatomer subunit delta-like protein | Authors: | Kopp, J, Aderhold, P, Wieland, F, Sinning, I. | Deposit date: | 2017-01-12 | Release date: | 2017-06-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | 9 angstrom structure of the COPI coat reveals that the Arf1 GTPase occupies two contrasting molecular environments. Elife, 6, 2017
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6AGT
| Crystal structure of PfKRS complexed with chromone inhibitor | Descriptor: | COBALT (II) ION, FORMIC ACID, LYSINE, ... | Authors: | Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C. | Deposit date: | 2018-08-14 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6ALN
| VioC L-arginine hydroxylase bound to Fe(II), 3S-hydroxy-L-arginine, and 2OG | Descriptor: | (2S,3S)-3-HYDROXYARGININE, 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ... | Authors: | Mitchell, A.J, Dunham, N.P, Boal, A.K. | Deposit date: | 2017-08-08 | Release date: | 2017-09-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase. J. Am. Chem. Soc., 139, 2017
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6ALO
| VioC L-arginine hydroxylase bound to Fe(II), L-arginine, and a peroxysuccinate intermediate | Descriptor: | 4-peroxy-4-oxobutanoic acid, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ... | Authors: | Dunham, N.P, Mitchell, A.J, Boal, A.K. | Deposit date: | 2017-08-08 | Release date: | 2017-09-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase. J. Am. Chem. Soc., 139, 2017
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6GZP
| Llama nanobody PorM_02 structure determined at room temperature by in-situ diffraction in ChipX microfluidic device | Descriptor: | Nanobody | Authors: | Roche, J, Gaubert, A, Desmyter, A, De Wijn, R, Sauter, C, Roussel, A. | Deposit date: | 2018-07-04 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography. Iucrj, 6, 2019
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5MG1
| Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M. | Deposit date: | 2016-11-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers. Nat. Methods, 14, 2017
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6A7K
| X-ray structure of NdhS from T. elongatus | Descriptor: | ACETIC ACID, Tlr0636 protein | Authors: | Umeno, K, Misumi, Y, Tanaka, H, Kurisu, G. | Deposit date: | 2018-07-03 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural adaptations of photosynthetic complex I enable ferredoxin-dependent electron transfer. Science, 363, 2019
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6H40
| High resolution structure of MeT1 from Mycobacterium hassiacum in complex with 3-methoxy-1,2-propanediol. | Descriptor: | (2~{S})-3-methoxypropane-1,2-diol, CHLORIDE ION, GLYCEROL, ... | Authors: | Pereira, P.J.B, Ripoll-Rozada, J. | Deposit date: | 2018-07-20 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.053 Å) | Cite: | Biosynthesis of mycobacterial methylmannose polysaccharides requires a unique 1-O-methyltransferase specific for 3-O-methylated mannosides. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5M8E
| Crystal structure of a GH43 arabonofuranosidase from Weissella sp. strain 142 | Descriptor: | Alpha-N-arabinofuranosidase, CALCIUM ION, GLYCEROL, ... | Authors: | Linares-Pasten, J, Logan, D.T, Nordberg Karlsson, E. | Deposit date: | 2016-10-28 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three-dimensional structures and functional studies of two GH43 arabinofuranosidases from Weissella sp. strain 142 and Lactobacillus brevis. FEBS J., 284, 2017
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6HCN
| Adenovirus Type 5 Fiber Knob protein at 1.49A resolution | Descriptor: | 1,2-ETHANEDIOL, Fiber protein, MAGNESIUM ION | Authors: | Rizkallah, P.J, Parker, A.L, Baker, A.T. | Deposit date: | 2018-08-15 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Diversity within the adenovirus fiber knob hypervariable loops influences primary receptor interactions. Nat Commun, 10, 2019
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6HHO
| Crystal structure of RIP1 kinase in complex with GSK547 | Descriptor: | 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Thorpe, J.H, Harris, P.A. | Deposit date: | 2018-08-28 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | RIP1 Kinase Drives Macrophage-Mediated Adaptive Immune Tolerance in Pancreatic Cancer. Cancer Cell, 34, 2018
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6ALM
| VioC L-arginine hydroxylase bound to Fe(II), L-arginine, and 2-OXO-GLUTARIC ACID | Descriptor: | 2-OXOGLUTARIC ACID, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ... | Authors: | Dunham, N.P, Mitchell, A.J, Boal, A.K. | Deposit date: | 2017-08-08 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase. J. Am. Chem. Soc., 139, 2017
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6HFX
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6ALQ
| VioC L-arginine hydroxylase bound to Fe(II), L-arginine, and succinate | Descriptor: | ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ... | Authors: | Dunham, N.P, Mitchell, A.J, Boal, A.K. | Deposit date: | 2017-08-08 | Release date: | 2017-09-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase. J. Am. Chem. Soc., 139, 2017
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6ALP
| VioC L-arginine hydroxylase bound to Fe(II), 3S-hydroxy-L-arginine, and succinate | Descriptor: | (2S,3S)-3-HYDROXYARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ... | Authors: | Mitchell, A.J, Dunham, N.P, Boal, A.K. | Deposit date: | 2017-08-08 | Release date: | 2017-09-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase. J. Am. Chem. Soc., 139, 2017
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5MXS
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6HCU
| Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HISTIDINE, ... | Authors: | Tamjar, J, Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | Deposit date: | 2018-08-16 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019
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