7E8O
 
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7E8K
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5OP2
 | | Structure of CHK1 10-pt. mutant complex with arylbenzamide LRRK2 inhibitor | | Descriptor: | 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | Deposit date: | 2017-08-09 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
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7E8J
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7PXX
 | | The crystal structure of Leishmania major Pteridine Reductase 1 in complex with substrate folic acid | | Descriptor: | DI(HYDROXYETHYL)ETHER, FOLIC ACID, GLYCEROL, ... | | Authors: | Di Pisa, F, Dello Iacono, L, Mangani, S. | | Deposit date: | 2021-10-08 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal structure of the ternary complex of Leishmania major pteridine reductase 1 with the cofactor NADP + /NADPH and the substrate folic acid.
Acta Crystallogr.,Sect.F, 78, 2022
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5OQ8
 | | Structure of CHK1 12-pt. mutant complex with arylbenzamide LRRK2 inhibitor | | Descriptor: | 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | Deposit date: | 2017-08-10 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
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6KH9
 | | Solution structure of bovine insulin amyloid intermediate-1 | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Ratha, B.N, Kar, R.K, Brender, J.B, Bhunia, A. | | Deposit date: | 2019-07-14 | | Release date: | 2020-08-12 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | High-resolution structure of a partially folded insulin aggregation intermediate.
Proteins, 88, 2020
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6QHE
 | | Alcohol Dehydrogenase from Arthrobacter sp. TS-15 in complex with NAD+ | | Descriptor: | Alcohol Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | | Authors: | Lockie, C, Beloti, L, Shanati, T, Ansorge-Schumacher, M, Grogan, G. | | Deposit date: | 2019-01-16 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Two Enantiocomplementary Ephedrine Dehydrogenases from Arthrobacter sp. TS-15 with Broad Substrate Specificity
Acs Catalysis, 9, 2019
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2IUF
 | | The structures of Penicillium vitale catalase: resting state, oxidised state (compound I) and complex with aminotriazole | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Murshudov, G, Borovik, A, Grebenko, A, Barynin, V, Vagin, A, Melik-Adamyan, W. | | Deposit date: | 2006-06-02 | | Release date: | 2006-07-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | The Structures and Electronic Configuration of Compound I Intermediates of Helicobacter Pylori and Penicillium Vitale Catalases Determined by X-Ray Crystallography and Qm/Mm Density Functional Theory Calculations.
J.Am.Chem.Soc., 129, 2007
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4XUO
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4XUT
 | | Structure of the CBM22-2 xylan-binding domain in complex with 1,3:1,4 Beta-glucotetraose B from Paenibacillus barcinonensis Xyn10C | | Descriptor: | CALCIUM ION, Endo-1,4-beta-xylanase C, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Sainz-Polo, M.A, Sanz-Aparicio, J. | | Deposit date: | 2015-01-26 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
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7EDL
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7M2N
 | | Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15 | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, ... | | Authors: | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | | Deposit date: | 2021-03-17 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria
ACS Medicinal Chemistry Letters, 12, 2021
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7M2O
 | | Crystal structure of Human Glycolate Oxidase with Inhibitor Compound 15 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | | Deposit date: | 2021-03-17 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria
ACS Medicinal Chemistry Letters, 12, 2021
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6Q0P
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6KHA
 | | Solution structure of bovine insulin amyloid intermediate-2 | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Ratha, B.N, Kar, R.K, Brender, J.B, Bhunia, A. | | Deposit date: | 2019-07-14 | | Release date: | 2020-08-12 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | High-resolution structure of a partially folded insulin aggregation intermediate.
Proteins, 88, 2020
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2J0N
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2DFY
 | | Crystal structure of a cyclized protein fusion of LMO4 LIM domains 1 and 2 with the LIM interacting domain of LDB1 | | Descriptor: | GLYCEROL, ZINC ION, fusion protein of LIM domain transcription factor LMO4 and LIM domain-binding protein 1 | | Authors: | Jeffries, C.M.J, Graham, S.C, Collyer, C.A, Guss, J.M, Matthews, J.M. | | Deposit date: | 2006-03-06 | | Release date: | 2006-10-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Stabilization of a binary protein complex by intein-mediated cyclization
Protein Sci., 15, 2006
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4XUP
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6ER1
 | | Crystal structure of BTB-domain of CP190 from D.melanogaster at high resolution | | Descriptor: | Centrosome-associated zinc finger protein CP190, PHOSPHATE ION | | Authors: | Boyko, K.M, Nikolaeva, A.Y, Bonchuk, A.N, Kachalova, G.S, Georgiev, P.G, Popov, V.O. | | Deposit date: | 2017-10-16 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Purification, Isolation, Crystallization, and Preliminary X-ray Diffraction Study of the BTB Domain of the Centrosomal Protein 190 from Drosophila Melanogaster
Crystallography Reports, 62, 2017
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6Q4T
 | | KOD DNA pol in a closed ternary complex with 7-deaza-7-(2-(2-hydroxyethoxy)-N-(prop-2-yn-1-yl)acetamide)-2-dATP | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*CP*AP*C)-3'), DNA (5'-D(P*AP*AP*CP*TP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | | Deposit date: | 2018-12-06 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | The Structure of an Archaeal B-Family DNA Polymerase in Complex with a Chemically Modified Nucleotide.
Angew.Chem.Int.Ed.Engl., 58, 2019
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9C42
 | | Structure of human MR1-ellagic acid in complex with human MAIT A-F7 TCR | | Descriptor: | 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione, ACETIC ACID, Beta-2-microglobulin, ... | | Authors: | Wang, C.J.H, Le Nours, J, Rossjohn, J. | | Deposit date: | 2024-06-02 | | Release date: | 2025-06-11 | | Last modified: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Ellagic acid metabolism as a source of dietary MR1 ligands
To Be Published
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4XUN
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7MHA
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1QHK
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