2Q5A
 
 | | human Pin1 bound to L-PEPTIDE | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE, Five residue peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Noel, J.P, Zhang, Y. | | Deposit date: | 2007-05-31 | | Release date: | 2007-06-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis for high-affinity peptide inhibition of human Pin1.
Acs Chem.Biol., 2, 2007
|
|
2Q6O
 | | SalL-Y70T with SAM and Cl | | Descriptor: | CHLORIDE ION, Hypothetical Protein, S-ADENOSYLMETHIONINE | | Authors: | Noel, J.P, Pojer, F. | | Deposit date: | 2007-06-05 | | Release date: | 2007-12-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and characterization of a marine bacterial SAM-dependent chlorinase
Nat.Chem.Biol., 4, 2008
|
|
1PIN
 | | PIN1 PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FROM HOMO SAPIENS | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ALANINE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE, ... | | Authors: | Noel, J.P, Ranganathan, R, Hunter, T. | | Deposit date: | 1998-06-21 | | Release date: | 1998-10-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural and functional analysis of the mitotic rotamase Pin1 suggests substrate recognition is phosphorylation dependent.
Cell(Cambridge,Mass.), 89, 1997
|
|
1KNJ
 | | Co-Crystal Structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate Synthase (ispF) from E. coli Involved in Mevalonate-Independent Isoprenoid Biosynthesis, Complexed with CMP/MECDP/Mn2+ | | Descriptor: | 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Richard, S.B, Ferrer, J.L, Bowman, M.E, Lillo, A.M, Tetzlaff, C.N, Cane, D.E, Noel, J.P. | | Deposit date: | 2001-12-18 | | Release date: | 2002-06-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure and mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase. An enzyme in the mevalonate-independent isoprenoid biosynthetic pathway.
J.Biol.Chem., 277, 2002
|
|
1KNK
 | | Crystal Structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate Synthase (ispF) from E. coli involved in Mevalonate-Independent Isoprenoid Biosynthesis | | Descriptor: | 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, MANGANESE (II) ION | | Authors: | Richard, S.B, Ferrer, J.L, Bowman, M.E, Lillo, A.M, Tetzlaff, C.N, Cane, D.E, Noel, J.P. | | Deposit date: | 2001-12-18 | | Release date: | 2002-06-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure and mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase. An enzyme in the mevalonate-independent isoprenoid biosynthetic pathway.
J.Biol.Chem., 277, 2002
|
|
3K52
 | |
6OLT
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | | Deposit date: | 2019-04-17 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
|
|
6OKF
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
|
|
5BUK
 | | Structure of flavin-dependent chlorinase Mpy16 | | Descriptor: | FADH2-dependent halogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Agarwal, V, Louie, G.V, Noel, J.P, Moore, B.S. | | Deposit date: | 2015-06-03 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Biosynthesis of coral settlement cue tetrabromopyrrole in marine bacteria by a uniquely adapted brominase-thioesterase enzyme pair.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5BUL
 | | Structure of flavin-dependent brominase Bmp2 triple mutant Y302S F306V A345W | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, flavin-dependent halogenase triple mutant | | Authors: | Agarwal, V, Louie, G.V, Noel, J.P, Moore, B.S. | | Deposit date: | 2015-06-04 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9784 Å) | | Cite: | Biosynthesis of coral settlement cue tetrabromopyrrole in marine bacteria by a uniquely adapted brominase-thioesterase enzyme pair.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
1U0W
 | | An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization Specificity of Type III Polyketide Synthases: 18xCHS+resveratrol Structure | | Descriptor: | Chalcone synthase 2, RESVERATROL | | Authors: | Austin, M.B, Bowman, M.E, Ferrer, J.-L, Schroder, J, Noel, J.P. | | Deposit date: | 2004-07-14 | | Release date: | 2004-10-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization Specificity of Type III Polyketide Synthases
Chem.Biol., 11, 2004
|
|
1U0M
 | | Crystal Structure of 1,3,6,8-Tetrahydroxynaphthalene Synthase (THNS) from Streptomyces coelicolor A3(2): a Bacterial Type III Polyketide Synthase (PKS) Provides Insights into Enzymatic Control of Reactive Polyketide Intermediates | | Descriptor: | GLYCEROL, POLYETHYLENE GLYCOL (N=34), putative polyketide synthase | | Authors: | Austin, M.B, Izumikawa, M, Bowman, M.E, Udwary, D.W, Ferrer, J.L, Moore, B.S, Noel, J.P. | | Deposit date: | 2004-07-13 | | Release date: | 2004-09-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystal structure of a bacterial type III polyketide synthase and enzymatic control of reactive polyketide intermediates
J.Biol.Chem., 279, 2004
|
|
1U0V
 | | An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization of Specificity of Type III Polyketide Synthases: 18xCHS structure | | Descriptor: | Chalcone synthase 2 | | Authors: | Austin, M.B, Bowman, M.E, Ferrer, J.-L, Schroder, J, Noel, J.P. | | Deposit date: | 2004-07-14 | | Release date: | 2004-10-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization Specificity of Type III Polyketide Synthases
Chem.Biol., 11, 2004
|
|
4RNQ
 | | Crystal structure of tobacco 5-epi-aristolochene synthase (TEAS) with anilinogeranyl diphosphate (AGPP) and geraniline | | Descriptor: | (2E,6E)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate, 5-epi-aristolochene synthase, ACETATE ION, ... | | Authors: | Koo, H.J, Crenshaw, C.M, Starks, C, Spielmann, H.P, Chappell, J, Noel, J.P. | | Deposit date: | 2014-10-24 | | Release date: | 2015-05-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Formation of a Novel Macrocyclic Alkaloid from the Unnatural Farnesyl Diphosphate Analogue Anilinogeranyl Diphosphate by 5-Epi-Aristolochene Synthase.
Acs Chem.Biol., 10, 2015
|
|
5IKH
 | | Tobacco 5-epi-aristolochene synthase M4 mutant with (-)-premnaspirodiene | | Descriptor: | (2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene, 5-epi-aristolochene synthase, MAGNESIUM ION | | Authors: | Koo, H.J, O'Maille, P.E, Louie, G.V, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-03 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
J.Antibiot., 69, 2016
|
|
5IL8
 | | Tobacco 5-epi-aristolochene synthase with MOPSO buffer molecule and Ca2+ ions | | Descriptor: | (2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid, (2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid, 5-epi-aristolochene synthase, ... | | Authors: | Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-04 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
|
|
5ILJ
 | | Tobacco 5-epi-aristolochene synthase with BIS-TRIS buffer molecule | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-epi-aristolochene synthase | | Authors: | Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-04 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
|
|
5ILZ
 | | Tobacco 5-epi-aristolochene synthase with BIS-TRIS propane (BTP) buffer molecule | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-epi-aristolochene synthase | | Authors: | Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-05 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
|
|
5IK0
 | | Tobacco 5-epi-aristolochene synthase with FPP | | Descriptor: | 5-epi-aristolochene synthase, FARNESYL DIPHOSPHATE, MAGNESIUM ION | | Authors: | Koo, H.J, Xu, Y, Louie, G.V, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-03 | | Release date: | 2016-10-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
J.Antibiot., 69, 2016
|
|
5IK9
 | | Tobacco 5-epi-aristolochene with farnesyl monophosphate | | Descriptor: | (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate, 5-epi-aristolochene synthase, MAGNESIUM ION | | Authors: | Koo, H.J, Xu, Y, Louie, G.V, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-03 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
J.Antibiot., 69, 2016
|
|
5ILI
 | | Tobacco 5-epi-aristolochene synthase with CAPSO buffer molecule and Mg2+ ions | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 5-epi-aristolochene synthase, ... | | Authors: | Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-04 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
|
|
5ILD
 | | Tobacco 5-epi-aristolochene synthase with MES buffer molecule and Mg2+ ions | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-epi-aristolochene synthase, MAGNESIUM ION | | Authors: | Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-04 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
|
|
5IM1
 | |
8DLE
 | | Crosslinked Crystal Structure of the 8-amino-7-oxonanoate synthase, BioF, and Benzene Sulfonyl Fluoride-crypto Acyl Carrier Protein, BSF-ACP | | Descriptor: | 1,2-ETHANEDIOL, 8-amino-7-oxononanoate synthase, Acyl carrier protein, ... | | Authors: | Chen, A, Davis, T.D, Louie, G.V, Bowman, M.E, Noel, J.P, Burkart, M.D. | | Deposit date: | 2022-07-07 | | Release date: | 2023-07-12 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Visualizing the Interface of Biotin and Fatty Acid Biosynthesis through SuFEx Probes.
J.Am.Chem.Soc., 146, 2024
|
|
8SMS
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase, FabB, and cerulenin crosslinker-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide | | Authors: | Jiang, Z, Chen, A, Chen, J, Sekhon, A, Louie, G.V, Noel, J.P, La Clair, J.J, Burkart, M.D. | | Deposit date: | 2023-04-26 | | Release date: | 2023-09-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Masked cerulenin enables a dual-site selective protein crosslink.
Chem Sci, 14, 2023
|
|
