7PA2
| PARK7 with inhibitor 8RK64 | Descriptor: | (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7 | Authors: | Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P. | Deposit date: | 2021-07-28 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput. J.Med.Chem., 65, 2022
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4YHA
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7PA3
| PARK7 with covalent inhibitor JYQ-88 | Descriptor: | (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7 | Authors: | Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P. | Deposit date: | 2021-07-28 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput. J.Med.Chem., 65, 2022
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4L0E
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4YPH
| Crystal Structure of MutY bound to its anti-substrate with the disulfide cross-linker reduced | Descriptor: | A/G-specific adenine glycosylase, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), DNA (5'-D(TP*GP*TP*CP*CP*AP*CP*GP*TP*CP*T)-3'), ... | Authors: | Wang, L, Lee, S, Verdine, G.L. | Deposit date: | 2015-03-12 | Release date: | 2015-05-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural Basis for Avoidance of Promutagenic DNA Repair by MutY Adenine DNA Glycosylase. J.Biol.Chem., 290, 2015
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3ZLE
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4L4C
| Structure of L358P/K178G mutant of P450cam bound to camphor | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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7OVV
| Crystal structure of the Arabidopsis thaliana thialysine acetyltransferase AtNATA2 | Descriptor: | Probable acetyltransferase NATA1-like, [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | Authors: | Layer, D, Kopp, J, Sinning, I. | Deposit date: | 2021-06-15 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural insights into the Arabidopsis thaliana thialysine acetyltransferase AtNATA2 To Be Published
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4X54
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4L4T
| Structure of human MAIT TCR in complex with human MR1-6-FP | Descriptor: | 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde, Beta-2-microglobulin, MAIT T-cell receptor alpha chain, ... | Authors: | Patel, O, Kjer-Nielsen, L, Le Nours, J, Eckle, S.B.G, Birkinshaw, R.W, Beddoe, T, Corbett, A.J, Liu, L, Miles, J.J, Meehan, B, Reantragoon, R, Sandoval-Romero, M.L, Sullivan, L.C, Brooks, A.G, Chen, Z, Fairlie, D.P, McCluskey, J, Rossjohn, J. | Deposit date: | 2013-06-09 | Release date: | 2013-07-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition of vitamin B metabolites by mucosal-associated invariant T cells. Nat Commun, 4, 2013
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7P4O
| Crystal structure of Autotaxin and 9(R)-delta6a,10a-THC | Descriptor: | (9~{R},10~{a}~{S})-6,6,9-trimethyl-3-pentyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, ... | Authors: | Eymery, M.C, McCarthy, A.A, Hausmann, J. | Deposit date: | 2021-07-12 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling. Life Sci Alliance, 6, 2023
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4WVZ
| Crystal structure of artificial crosslinked thiol dioxygenase G95C variant from Pseudomonas aeruginosa | Descriptor: | 3-mercaptopropionate dioxygenase, FE (II) ION | Authors: | Fellner, M, Tchesnokov, E.P, Jameson, G.N.L, Wilbanks, S.M. | Deposit date: | 2014-11-09 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Substrate and pH-Dependent Kinetic Profile of 3-Mercaptopropionate Dioxygenase from Pseudomonas aeruginosa. Biochemistry, 55, 2016
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4L1G
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7P4J
| Crystal structure of Autotaxin and tetrahydrocannabinol | Descriptor: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, ... | Authors: | Eymery, M.C, McCarthy, A.A, Hausmann, J. | Deposit date: | 2021-07-11 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling. Life Sci Alliance, 6, 2023
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4X8B
| Ergothioneine-biosynthetic sulfoxide synthase EgtB, apo form | Descriptor: | CALCIUM ION, CHLORIDE ION, FE (III) ION, ... | Authors: | Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P. | Deposit date: | 2014-12-10 | Release date: | 2015-01-28 | Last modified: | 2017-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway. Angew.Chem.Int.Ed.Engl., 54, 2015
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4L2O
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4L3G
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4WKT
| n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | Descriptor: | 1-BUTANE BORONIC ACID, Acyl-homoserine lactone acylase PvdQ, GLYCEROL | Authors: | Wu, R, Clevenger, K.D, Fast, W, Liu, D. | Deposit date: | 2014-10-03 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.782 Å) | Cite: | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ. Biochemistry, 53, 2014
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4L4D
| Structure of cyanide and camphor bound P450cam mutant L358A | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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4L4O
| The crystal structure of CbXyn10B in native form | Descriptor: | Endo-1,4-beta-xylanase, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM | Authors: | An, J, Feng, Y, Wu, G. | Deposit date: | 2013-06-08 | Release date: | 2014-05-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of CbXyn10B from Caldicellulosiruptor bescii and its mutant(E139A) in complex with xylotriose To be Published
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4WLU
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4KUG
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4KVK
| Crystal structure of Oryza sativa fatty acid alpha-dioxygenase | Descriptor: | CALCIUM ION, CHLORIDE ION, DECYL-BETA-D-MALTOPYRANOSIDE, ... | Authors: | Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G. | Deposit date: | 2013-05-22 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structures of alpha-dioxygenase from Oryza sativa: Insights into substrate binding and activation by hydrogen peroxide. Protein Sci., 22, 2013
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7OXF
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4KWG
| Crystal Structure Analysis of ALDH2+ALDiB13 | Descriptor: | 1,2-ETHANEDIOL, 7-bromo-5-methyl-1H-indole-2,3-dione, Aldehyde dehydrogenase, ... | Authors: | Hurley, T.D, Kimble-Hill, A.C. | Deposit date: | 2013-05-24 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones. J.Med.Chem., 57, 2014
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