6DNJ
 
 | | Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 28 round 5 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-nitro-1,2-benzoxazole, Kemp eliminase KE07 | | Authors: | Jackson, C.J, Hong, N.-S, Carr, P.D. | | Deposit date: | 2018-06-06 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
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4WWJ
 | | UndA, an oxygen-activating, non-heme iron dependent desaturase/decarboxylase | | Descriptor: | FE (III) ION, GLYCEROL, SULFATE ION, ... | | Authors: | Li, X, Cate, J.D.H. | | Deposit date: | 2014-11-11 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Microbial biosynthesis of medium-chain 1-alkenes by a nonheme iron oxidase.
Proc.Natl.Acad.Sci.USA, 111, 2014
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8BG9
 | | Murine amyloid-beta filaments with the Arctic mutation (E22G) from APP(NL-G-F) mouse brains | ABeta | | Descriptor: | Amyloid-beta protein 40 | | Authors: | Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordber, A, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2022-10-27 | | Release date: | 2023-01-18 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains.
Acta Neuropathol, 145, 2023
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8BG0
 | | Amyloid-beta tetrameric filaments with the Arctic mutation (E22G) from Alzheimer's disease brains | ABeta40 | | Descriptor: | Amyloid-beta precursor protein | | Authors: | Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordber, A, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2022-10-27 | | Release date: | 2023-01-18 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (1.99 Å) | | Cite: | Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains.
Acta Neuropathol, 145, 2023
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8BFZ
 | | Amyloid-beta 42 filaments extracted from the human brain with Arctic mutation (E22G) of Alzheimer's disease | ABeta42 | | Descriptor: | Amyloid-beta precursor protein | | Authors: | Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordberg, A, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2022-10-27 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains.
Acta Neuropathol, 145, 2023
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6CT3
 | | Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 27 round 7-2 | | Descriptor: | 5-nitro-2-oxidanyl-benzenecarbonitrile, GLYCEROL, Kemp eliminase, ... | | Authors: | Jackson, C.J, Hong, N.-S, Carr, P.D. | | Deposit date: | 2018-03-22 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
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5VTM
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6M1S
 | | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o | | Descriptor: | 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2020-02-26 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.254 Å) | | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
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6M1J
 | | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x | | Descriptor: | 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2020-02-26 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
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3N2Y
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5YDA
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4GB0
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5E9A
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1FSH
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1HNV
 | | STRUCTURE OF HIV-1 RT(SLASH)TIBO R 86183 COMPLEX REVEALS SIMILARITY IN THE BINDING OF DIVERSE NONNUCLEOSIDE INHIBITORS | | Descriptor: | 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P51), HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P66) | | Authors: | Das, K, Ding, J, Arnold, E. | | Deposit date: | 1995-03-30 | | Release date: | 1995-07-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of HIV-1 RT/TIBO R 86183 complex reveals similarity in the binding of diverse nonnucleoside inhibitors.
Nat.Struct.Biol., 2, 1995
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2ODA
 | | Crystal Structure of PSPTO_2114 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypothetical protein PSPTO_2114, MAGNESIUM ION | | Authors: | Peisach, E, Allen, K.N, Dunaway-Mariano, D, Wang, L, Burroughs, A.M, Aravind, L. | | Deposit date: | 2006-12-22 | | Release date: | 2007-09-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The X-ray crystallographic structure and activity analysis of a Pseudomonas-specific subfamily of the HAD enzyme superfamily evidences a novel biochemical function.
Proteins, 70, 2007
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2REZ
 | | Tetracenomycin ARO/CYC NaI Structure | | Descriptor: | ACETATE ION, IODIDE ION, Multifunctional cyclase-dehydratase-3-O-methyl transferase tcmN | | Authors: | Ames, B.D, Tsai, S.C. | | Deposit date: | 2007-09-27 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure and functional analysis of tetracenomycin ARO/CYC: implications for cyclization specificity of aromatic polyketides.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2RER
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2RES
 | | Tetracenomycin ARO/CYC mutant R69A | | Descriptor: | Multifunctional cyclase-dehydratase-3-O-methyl transferase tcmN | | Authors: | Ames, B.D, Tsai, S.C. | | Deposit date: | 2007-09-26 | | Release date: | 2008-04-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and functional analysis of tetracenomycin ARO/CYC: implications for cyclization specificity of aromatic polyketides.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3BM0
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3CFS
 | | Structural basis of the interaction of RbAp46/RbAp48 with histone H4 | | Descriptor: | ARSENIC, Histone H4, Histone-binding protein RBBP7 | | Authors: | Murzina, N.V, Pei, X.-Y, Pratap, J.V, Sparkes, M, Vicente-Garcia, J, Ben-Shahar, T.R, Verreault, A, Luisi, B.F, Laue, E.D. | | Deposit date: | 2008-03-04 | | Release date: | 2008-06-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for the Recognition of Histone H4 by the Histone-Chaperone RbAp46.
Structure, 16, 2008
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4HJR
 | | Crystal structure of F2YRS | | Descriptor: | Tyrosine-tRNA ligase | | Authors: | Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W. | | Deposit date: | 2012-10-13 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A genetically encoded 19F NMR probe for tyrosine phosphorylation.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4HJX
 | | Crystal structure of F2YRS complexed with F2Y | | Descriptor: | 3,5-difluoro-L-tyrosine, Tyrosine-tRNA ligase | | Authors: | Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W. | | Deposit date: | 2012-10-14 | | Release date: | 2013-03-13 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | A genetically encoded 19F NMR probe for tyrosine phosphorylation.
Angew.Chem.Int.Ed.Engl., 52, 2013
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3ENC
 | | Crystal structure of Pyrococcus furiosus PCC1 dimer | | Descriptor: | protein PCC1 | | Authors: | Neculai, D. | | Deposit date: | 2008-09-25 | | Release date: | 2008-10-28 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.6304 Å) | | Cite: | Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine.
Mol.Cell, 32, 2008
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4F3I
 | | Crystal structure of the first bromodomain of human BRD4 in complex with MS417 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | | Authors: | Joshua, J, Zhou, M.-M, Plotnikov, A.N. | | Deposit date: | 2012-05-09 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Down-regulation of NF-{kappa}B Transcriptional Activity in HIV-associated Kidney Disease by BRD4 Inhibition.
J.Biol.Chem., 287, 2012
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