6YGA
 
 | | Crystal structure of the apo NatC complex | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Grunwald, S, Hopf, L, Bock-Bierbaum, T, Lally, C.C, Spahn, C.M.T, Daumke, O. | | Deposit date: | 2020-03-27 | | Release date: | 2020-10-28 | | Last modified: | 2020-11-18 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Divergent architecture of the heterotrimeric NatC complex explains N-terminal acetylation of cognate substrates.
Nat Commun, 11, 2020
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3SBP
 | | Pseudomonas stutzeri nitrous oxide reductase, P1 crystal form | | Descriptor: | CALCIUM ION, CHLORIDE ION, DINUCLEAR COPPER ION, ... | | Authors: | Pomowski, A, Zumft, W.G, Kroneck, P.M.H, Einsle, O. | | Deposit date: | 2011-06-06 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | N2O binding at a [4Cu:2S] copper-sulphur cluster in nitrous oxide reductase.
Nature, 477, 2011
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3S1U
 | | Transaldolase from Thermoplasma acidophilum in complex with D-erythrose 4-phosphate | | Descriptor: | CHLORIDE ION, ERYTHOSE-4-PHOSPHATE, Probable transaldolase | | Authors: | Lehwess-Litzmann, A, Neumann, P, Parthier, C, Tittmann, K. | | Deposit date: | 2011-05-16 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism.
Nat.Chem.Biol., 7, 2011
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3RTW
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3WJZ
 | | Orotidine 5'-monophosphate decarboxylase D75N mutant from M. thermoautotrophicus complexed with 6-amino-UMP | | Descriptor: | 6-AMINOURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Fujihashi, M, Pai, E.F, Miki, K. | | Deposit date: | 2013-10-17 | | Release date: | 2013-12-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Substrate distortion contributes to the catalysis of orotidine 5'-monophosphate decarboxylase.
J.Am.Chem.Soc., 135, 2013
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6YCS
 | | Human Transcription Cofactor PC4 DNA-binding domain in complex with full phosphorothioate 5-10-5 2'-O-methyl DNA gapmer antisense oligonucleotide. | | Descriptor: | DNA (5'-D(P*(OKQ))-D(P*(OKT))-R(P*(RFJ))-D(*(OKQ)P*(OKT)P*(AS)P*(GS)P*(OKN)P*(OKN)P*(PST)P*(OKN)P*(PST)P*(GS)P*(GS)P*(AS)P*(OKT)P*(OKT))-3'), PC4 protein, SODIUM ION, ... | | Authors: | Hyjek-Skladanowska, M, Vickers, T.A, Napiorkowska, A, Anderson, B, Tanowitz, M, Crooke, S.T, Liang, X, Seth, P.P, Nowotny, M. | | Deposit date: | 2020-03-19 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Origins of the Increased Affinity of Phosphorothioate-Modified Therapeutic Nucleic Acids for Proteins.
J.Am.Chem.Soc., 142, 2020
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3S6K
 | | Crystal structure of xcNAGS | | Descriptor: | Acetylglutamate kinase | | Authors: | Shi, D, Li, Y, Cabrera-Luque, J, Jin, Z, Yu, X, Allewell, N.M, Tuchman, M. | | Deposit date: | 2011-05-25 | | Release date: | 2012-04-18 | | Method: | X-RAY DIFFRACTION (2.8018 Å) | | Cite: | A Novel N-acetylglutamate synthase architecture revealed by the crystal structure of the bifunctional enzyme from Maricaulis maris.
Plos One, 6, 2011
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3RZB
 | | CDK2 in complex with inhibitor RC-2-23 | | Descriptor: | 4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-05-11 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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3RZJ
 | | Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage | | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*TP*(ME6)P*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*GP*AP*CP*A)-3', ... | | Authors: | Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C. | | Deposit date: | 2011-05-11 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
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3S72
 | | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | | Descriptor: | 1H-benzimidazole-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Snyder, P.W, Heroux, A, Whitesides, G.W. | | Deposit date: | 2011-05-26 | | Release date: | 2011-10-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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7KTS
 | | Negative stain EM structure of the human SAGA coactivator complex (TRRAP, core, splicing module) | | Descriptor: | Ataxin-7, Isoform 3 of Transcription factor SPT20 homolog, STAGA complex 65 subunit gamma, ... | | Authors: | Herbst, D.A, Esbin, M.N, Nogales, E. | | Deposit date: | 2020-11-24 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (19.09 Å) | | Cite: | Structure of the human SAGA coactivator complex.
Nat.Struct.Mol.Biol., 28, 2021
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3S78
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3WOD
 | | RNA polymerase-gp39 complex | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Tagami, S, Sekine, S, Minakhin, L, Esyunina, D, Akasaka, R, Shirouzu, M, Kulbachinskiy, A, Severinov, K, Yokoyama, S. | | Deposit date: | 2013-12-26 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural basis for promoter specificity switching of RNA polymerase by a phage factor.
Genes Dev., 28, 2014
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7KR2
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6YGD
 | | Crystal structure of the NatC complex bound to Gag peptide and CoA | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COENZYME A, ... | | Authors: | Grunwald, S, Hopf, L, Bock-Bierbaum, T, Lally, C.C, Spahn, C.M.T, Daumke, O. | | Deposit date: | 2020-03-27 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.752 Å) | | Cite: | Divergent architecture of the heterotrimeric NatC complex explains N-terminal acetylation of cognate substrates.
Nat Commun, 11, 2020
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6YCH
 | | Crystal structure of GcoA T296A bound to guaiacol | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, DuBois, J.L, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCK
 | | Crystal structure of GcoA T296A bound to p-vanillin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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7KW7
 | | Atomic cryoEM structure of Hsp90-Hsp70-Hop-GR | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glucocorticoid receptor, Heat shock 70 kDa protein 1A, ... | | Authors: | Wang, R.Y, Noddings, C.M, Kirschke, E, Myasnikov, A, Johnson, J.L, Agard, D.A. | | Deposit date: | 2020-11-30 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.57 Å) | | Cite: | Structure of Hsp90-Hsp70-Hop-GR reveals the Hsp90 client-loading mechanism.
Nature, 601, 2022
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6YCP
 | | Crystal structure of GcoA F169V bound to o-vanillin | | Descriptor: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCL
 | | Crystal structure of GcoA T296G bound to p-vanillin | | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCM
 | | Crystal structure of GcoA T296S bound to p-vanillin | | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCO
 | | Crystal structure of GcoA F169S bound to o-vanillin | | Descriptor: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCI
 | | Crystal structure of GcoA T296G bound to guaiacol | | Descriptor: | Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCJ
 | | Crystal structure of GcoA T296S bound to guaiacol | | Descriptor: | Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ... | | Authors: | Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6Y0B
 | | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with quinazolin-4-amine and PKI (5-24) | | Descriptor: | DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... | | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | | Deposit date: | 2020-02-07 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
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