7VEY
 
 | | Crystal structure of Cyclosorus parasiticus chalcone synthase 1 (CpCHS1) | | Descriptor: | chalcone synthases | | Authors: | Li, J.X, Cheng, A.X. | | Deposit date: | 2021-09-10 | | Release date: | 2021-11-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional and Structural Investigation of Chalcone Synthases Based on Integrated Metabolomics and Transcriptome Analysis on Flavonoids and Anthocyanins Biosynthesis of the Fern Cyclosorus parasiticus .
Front Plant Sci, 12, 2021
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4R41
 | | Complex Crystal structure of 4-nitro-2-phosphono-benzoic acid with sp-Aspartate-Semialdehyde Dehydrogenase and Nicotinamide-dinucleotide | | Descriptor: | 1,2-ETHANEDIOL, 4-nitro-2-phosphonobenzoic acid, ACETATE ION, ... | | Authors: | Pavlovsky, A.G, Viola, R.E. | | Deposit date: | 2014-08-18 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
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4R51
 | | Crystal complex structure of sp-Aspartate-Semialdehyde-Dehydrogenase with Nicotinamide Adenine dinucleotide phosphate and phthalic acid | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ... | | Authors: | Pavlovsky, A.G, Viola, R.E. | | Deposit date: | 2014-08-20 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
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2M3L
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4R3N
 | | Crystal structure of the ternary complex of sp-ASADH with NADP and 1,2,3-Benzenetricarboxylic acid | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ... | | Authors: | Pavlovsky, A.G, Viola, R.E. | | Deposit date: | 2014-08-16 | | Release date: | 2014-12-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
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1F8N
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4R3W
 | | Crystal Structure Analysis of the 1,2,3-tricarboxylate benzoic acid bound to sp-ASADH-2'5'-ADP complex | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-2'-5'-DIPHOSPHATE, ... | | Authors: | Pavlovsky, A.G, Viola, R.E. | | Deposit date: | 2014-08-18 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
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1FGT
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1FGM
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1FGQ
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1FGR
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3RTV
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a closed ternary complex with natural primer/template DNA | | Descriptor: | (5'-D(*AP*AP*AP*GP*CP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DDG))-3'), 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Marx, A, Diederichs, K, Betz, K. | | Deposit date: | 2011-05-04 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
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1FGO
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2DUF
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6I1S
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201 | | Descriptor: | (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione, 1,2-ETHANEDIOL, Activin receptor type-1, ... | | Authors: | Williams, E.P, Pinkas, D.M, Fortin, J, Newman, J.A, Bradshaw, W.J, Mahajan, P, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2018-10-30 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Mutant ACVR1 Arrests Glial Cell Differentiation to Drive Tumorigenesis in Pediatric Gliomas.
Cancer Cell, 37, 2020
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7V8Y
 | | Crystal structure of mouse CRY2 in complex with SHP1703 compound | | Descriptor: | 1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one, Cryptochrome-2 | | Authors: | Miller, S.A, Hirota, T. | | Deposit date: | 2021-08-23 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | CRY2 isoform selectivity of a circadian clock modulator with antiglioblastoma efficacy.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7V8Z
 | | Crystal structure of mouse CRY2 in complex with SHP656 compound | | Descriptor: | 1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one, Cryptochrome-2 | | Authors: | Miller, S.A, Hirota, T. | | Deposit date: | 2021-08-23 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | CRY2 isoform selectivity of a circadian clock modulator with antiglioblastoma efficacy.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7VIL
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4DDY
 | | CTX-M-9 class A beta-lactamase complexed with compound 10 | | Descriptor: | Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide | | Authors: | Nichols, D.A, Chen, Y. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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4DE1
 | | CTX-M-9 class A beta-lactamase complexed with compound 18 | | Descriptor: | Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide | | Authors: | Nichols, D.A, Chen, Y. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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7XKZ
 | | Solution structure of subunit epsilon of the Mycobacterium abscessus F-ATP synthase | | Descriptor: | ATP synthase epsilon chain | | Authors: | Shin, J, Grueber, G, Harikishore, A, Wong, C.F, Prya, R, Dick, T. | | Deposit date: | 2022-04-20 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Atomic solution structure of Mycobacterium abscessus F-ATP synthase subunit epsilon and identification of Ep1MabF1 as a targeted inhibitor.
Febs J., 289, 2022
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4DE3
 | | CTX-M-9 class A beta-lactamase complexed with compound 4 | | Descriptor: | 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE | | Authors: | Nichols, D.A, Chen, Y. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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4EW9
 | | The liganded structure of C. bescii family 3 pectate lyase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid, ACETATE ION, ... | | Authors: | Alahuhta, P.M, Lunin, V.V. | | Deposit date: | 2012-04-26 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure and mode of action of Caldicellulosiruptor bescii family 3 pectate lyase in biomass deconstruction.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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6GSW
 | | FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE | | Descriptor: | L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION | | Authors: | Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L. | | Deposit date: | 1996-01-26 | | Release date: | 1996-11-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
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6GSU
 | | FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE | | Descriptor: | L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION | | Authors: | Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L. | | Deposit date: | 1996-01-26 | | Release date: | 1996-11-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
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