8C72
 
 | | Pyrrolidine fragment 10b bound to endothiapepsin | | Descriptor: | (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C70
 | | Pyrrolidine fragment 1 bound to endothiapepsin | | Descriptor: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C74
 | | Pyrrolidine fragment 10d bound to endothiapepsin | | Descriptor: | (3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C6S
 | | Fragment screening hit III bound to endothiapepsin | | Descriptor: | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C6T
 | | Fragment screening hit IV bound to endothiapepsin | | Descriptor: | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C54
 | | Cryo-EM structure of NADH bound SLA dehydrogenase RlGabD from Rhizobium leguminosarum bv. trifolii SRD1565 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Succinate semialdehyde dehydrogenase | | Authors: | Sharma, M, Meek, R.W, Armstrong, Z, Blaza, J.N, Alhifthi, A, Li, J, Goddard-Borger, E.D, Williams, S.J, Davies, G.J. | | Deposit date: | 2023-01-06 | | Release date: | 2023-09-20 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | Molecular basis of sulfolactate synthesis by sulfolactaldehyde dehydrogenase from Rhizobium leguminosarum.
Chem Sci, 14, 2023
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1JUL
 | | INDOLE-3-GLYCEROLPHOSPHATE SYNTHASE FROM SULFOLOBUS SOLFATARICUS IN A SECOND ORTHORHOMBIC CRYSTAL FORM | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE | | Authors: | Knoechel, T.R, Hennig, M, Merz, A, Darimont, B, Kirschner, K, Jansonius, J.N. | | Deposit date: | 1996-05-03 | | Release date: | 1997-07-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of indole-3-glycerol phosphate synthase from the hyperthermophilic archaeon Sulfolobus solfataricus in three different crystal forms: effects of ionic strength.
J.Mol.Biol., 262, 1996
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1JUK
 | | INDOLE-3-GLYCEROLPHOSPHATE SYNTHASE FROM SULFOLOBUS SOLFATARICUS IN A TRIGONAL CRYSTAL FORM | | Descriptor: | INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE, SULFATE ION | | Authors: | Knoechel, T.R, Hennig, M, Merz, A, Darimont, B, Kirschner, K, Jansonius, J.N. | | Deposit date: | 1996-05-03 | | Release date: | 1997-07-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of indole-3-glycerol phosphate synthase from the hyperthermophilic archaeon Sulfolobus solfataricus in three different crystal forms: effects of ionic strength.
J.Mol.Biol., 262, 1996
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8THS
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1KD0
 | | Crystal Structure of beta-methylaspartase from Clostridium tetanomorphum. Apo-structure. | | Descriptor: | 1,2-ETHANEDIOL, beta-methylaspartase | | Authors: | Asuncion, M, Blankenfeldt, W, Barlow, J.N, Gani, D, Naismith, J.H. | | Deposit date: | 2001-11-12 | | Release date: | 2001-12-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structure of 3-methylaspartase from Clostridium tetanomorphum functions via the common enolase chemical step.
J.Biol.Chem., 277, 2002
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1KCZ
 | | Crystal Structure of beta-methylaspartase from Clostridium tetanomorphum. Mg-complex. | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, beta-methylaspartase | | Authors: | Asuncion, M, Blankenfeldt, W, Barlow, J.N, Gani, D, Naismith, J.H. | | Deposit date: | 2001-11-12 | | Release date: | 2001-12-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structure of 3-methylaspartase from Clostridium tetanomorphum functions via the common enolase chemical step.
J.Biol.Chem., 277, 2002
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8STL
 | | Crystal Structure of Nanobody PIK3_Nb16 against wild-type PI3Kalpha | | Descriptor: | Nanobody PIK3_Nb16, SULFATE ION | | Authors: | Nwafor, J.N, Srinivasan, L, Chen, Z, Gabelli, S.B, Iheanacho, A, Alzogaray, V, Klinke, S. | | Deposit date: | 2023-05-10 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Development of isoform specific nanobodies for Class I PI3Ks
To be published
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8UB6
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8TUA
 | | Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4) | | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein | | Authors: | Cash, J.N, Tesmer, J.J.G. | | Deposit date: | 2023-08-15 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4)
Elife, 2024
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8GIL
 | | L-threonine 3-Dehydrogenase from Trypanosoma cruzi (apo form) | | Descriptor: | L-threonine 3-dehydrogenase, POTASSIUM ION | | Authors: | Faria, J.N, Mercaldi, G.F, Fagundes, M, Bezerra, E.H.S, Cordeiro, A.T. | | Deposit date: | 2023-03-14 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure, allosteric regulation and metabolic activity of L-threonine 3-Dehydrogenase from Trypanosoma cruzi
To Be Published
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5O31
 | | Mitochondrial complex I in the deactive state | | Descriptor: | Acyl carrier protein, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Blaza, J.N, Vinothkumar, K.R, Hirst, J. | | Deposit date: | 2017-05-23 | | Release date: | 2018-01-17 | | Last modified: | 2019-10-23 | | Method: | ELECTRON MICROSCOPY (4.13 Å) | | Cite: | Structure of the Deactive State of Mammalian Respiratory Complex I.
Structure, 26, 2018
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8GJB
 | | L-threonine 3-Dehydrogenase from Trypanosoma cruzi in complex with NAD and acetate | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Mercaldi, G.F, Faria, J.N, Fagundes, M, Bezerra, E.H.S, Cordeiro, A.T. | | Deposit date: | 2023-03-15 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure, allosteric regulation and metabolic activity of L-threonine 3-Dehydrogenase from Trypanosoma cruzi
To Be Published
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5OXI
 | | C-terminally retracted ubiquitin L67S mutant | | Descriptor: | SULFATE ION, Ubiquitin L67S mutant | | Authors: | Gladkova, C.G, Schubert, A.F, Wagstaff, J.L, Pruneda, J.N, Freund, S.M.V, Komander, D. | | Deposit date: | 2017-09-06 | | Release date: | 2017-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | An invisible ubiquitin conformation is required for efficient phosphorylation by PINK1.
EMBO J., 36, 2017
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6GZU
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4I1N
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4IGL
 | | Structure of the RHS-repeat containing BC component of the secreted ABC toxin complex from Yersinia entomophaga | | Descriptor: | GLYCEROL, POTASSIUM ION, YenB, ... | | Authors: | Busby, J.N, Panjikar, S, Landsberg, M.J, Hurst, M.R.H, Lott, J.S. | | Deposit date: | 2012-12-17 | | Release date: | 2013-08-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | The BC component of ABC toxins is an RHS-repeat-containing protein encapsulation device
Nature, 501, 2013
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4IQN
 | | Crystal structure of uncharacterized protein from Salmonella enterica subsp. enterica serovar typhimurium str. 14028s | | Descriptor: | DI(HYDROXYETHYL)ETHER, Putative cytoplasmic protein, TETRAETHYLENE GLYCOL | | Authors: | Chang, C, Hatzos-Skintges, C, Adkins, J.N, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | | Deposit date: | 2013-01-11 | | Release date: | 2013-01-23 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of uncharacterized protein from salmonella enterica subsp. enterica serovar typhimurium str. 14028s
To be Published
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6GZS
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6GZT
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4ID4
 | | Crystal structure of chimeric beta-lactamase cTEM-17m | | Descriptor: | Beta-lactamase TEM, Beta-lactamase PSE-4, CHLORIDE ION, ... | | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | | Deposit date: | 2012-12-11 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Maintenance of Native-like Protein Dynamics May Not Be Required for Engineering Functional Proteins.
Chem.Biol., 21, 2014
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