8S45
 
 | | CdaA-E05 complex | | Descriptor: | (1~{R},2~{S},3~{S},4~{R},5~{S})-2-azanyl-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol, Diadenylate cyclase | | Authors: | Neumann, P, Ficner, R. | | Deposit date: | 2024-02-21 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | CdaA-E05 complex
To Be Published
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8QT3
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5 and NAD+ | | Descriptor: | (2S)-2-dodecylsulfanylpropanoic acid, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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5I2H
 | | Crystal structure of O-methyltransferase family 2 protein Plim_1147 from Planctomyces limnophilus DSM 3776 complex with Apigenin | | Descriptor: | 1,2-ETHANEDIOL, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, FORMIC ACID, ... | | Authors: | Chang, C, Duke, N, Bigelow, L, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2016-02-08 | | Release date: | 2016-03-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.551 Å) | | Cite: | Crystal structure of O-methyltransferase family 2 protein Plim_1147 from Planctomyces limnophilus DSM 3776 complex with Apigenin.
To Be Published
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8P5S
 | | Crystal structure of the homohexameric 2-oxoglutarate dehydrogenase OdhA from Corynebacterium glutamicum | | Descriptor: | 2-oxoglutarate dehydrogenase E1/E2 component, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, ... | | Authors: | Yang, L, Boyko, A, Bellinzoni, M. | | Deposit date: | 2023-05-24 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.459 Å) | | Cite: | High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
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8VZ8
 | | Crystal structure of mouse MAIT M2B TCR-MR1-5-OP-RU complex | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Ciacchi, L, Rossjohn, J, Awad, W. | | Deposit date: | 2024-02-11 | | Release date: | 2024-04-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Mouse mucosal-associated invariant T cell receptor recognition of MR1 presenting the vitamin B metabolite, 5-(2-oxopropylideneamino)-6-d-ribitylaminouracil.
J.Biol.Chem., 300, 2024
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8VZ9
 | | Crystal structure of mouse MAIT M2A TCR-MR1-5-OP-RU complex | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Ciacchi, L, Rossjohn, J, Awad, W. | | Deposit date: | 2024-02-11 | | Release date: | 2024-04-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Mouse mucosal-associated invariant T cell receptor recognition of MR1 presenting the vitamin B metabolite, 5-(2-oxopropylideneamino)-6-d-ribitylaminouracil.
J.Biol.Chem., 300, 2024
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8VLQ
 | | Structure of PmHMGR bound to mevalonate, CoA and NAD 5 minutes after reaction initiation at pH 9 | | Descriptor: | (R)-MEVALONATE, (R)-mevaldehyde, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Purohit, V, Steussy, C.N, Stauffacher, C.V. | | Deposit date: | 2024-01-12 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography.
Biophys.J., 123, 2024
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6RFY
 | | Crystal structure of Eis2 form Mycobacterium abscessus | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Eis2, SULFATE ION | | Authors: | Blaise, M, Kremer, L, Olieric, V, Alsarraf, H, Ung, K.L. | | Deposit date: | 2019-04-16 | | Release date: | 2019-07-10 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
Febs J., 286, 2019
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5J28
 | | Ki67-PP1g (protein phosphatase 1, gamma isoform) holoenzyme complex | | Descriptor: | Antigen KI-67, MALONATE ION, SODIUM ION, ... | | Authors: | Kumar, G.S, Peti, W, Page, R. | | Deposit date: | 2016-03-29 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Ki-67 and RepoMan mitotic phosphatases assemble via an identical, yet novel mechanism.
Elife, 5, 2016
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7C22
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8VRV
 | | GII.4c H2-tri HBGA norovirus protruding domain | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, FORMIC ACID, ... | | Authors: | Kher, G, Prewitt, A, Pancera, M, Hansman, G. | | Deposit date: | 2024-01-22 | | Release date: | 2024-06-19 | | Last modified: | 2025-01-01 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
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6QVP
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5NK7
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2a | | Descriptor: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2017-03-31 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.889 Å) | | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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6S9N
 | | Designed Armadillo Repeat protein Lock2 fused to target peptide KRKRKAKLSF | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Lock2_KRKRKAKLSF | | Authors: | Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A. | | Deposit date: | 2019-07-15 | | Release date: | 2020-02-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
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9CF4
 | | Crystal structure of the dimeric transaminase DoeD from C. salexigens DSM 3043. | | Descriptor: | Aminotransferase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Skogvold, A.C, Brakestad, H.T, Erlandsen, H, Leiros, I. | | Deposit date: | 2024-06-27 | | Release date: | 2025-03-12 | | Last modified: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Crystal structure and biochemical analysis of the dimeric transaminase DoeD provides insights into ectoine degradation.
Febs J., 292, 2025
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8OFT
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9JAA
 | | P[28] rotavirus VP8* | | Descriptor: | Outer capsid protein VP4 | | Authors: | Zheng, Y, Yan, J. | | Deposit date: | 2024-08-24 | | Release date: | 2025-07-09 | | Last modified: | 2025-10-22 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Specific binding of human P[28] rotavirus VP8* protein to blood group ABH antigens on type 1 chains.
Plos Pathog., 21, 2025
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8SRX
 | | Crystal structure of BAK-BAX heterodimer with lysoPC | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2 homologous antagonist/killer, ... | | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S. | | Deposit date: | 2023-05-07 | | Release date: | 2023-12-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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8EMT
 | | Cryo-EM analysis of the human aldehyde oxidase from liver | | Descriptor: | Aldehyde oxidase, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Su, C, Lyu, M, Zhang, Z, Yu, E.W. | | Deposit date: | 2022-09-28 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | High-resolution structural-omics of human liver enzymes.
Cell Rep, 42, 2023
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6S9M
 | | Designed Armadillo Repeat protein Lock2 fused to target peptide KRKRKAKITW | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Lock2_KRKRKAKITW, ... | | Authors: | Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A. | | Deposit date: | 2019-07-15 | | Release date: | 2020-02-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
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5LPO
 | | tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one | | Descriptor: | 1,2-ETHANEDIOL, 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one, GLYCEROL, ... | | Authors: | Ehrmann, F.R, Heine, A, Klebe, G. | | Deposit date: | 2016-08-14 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Carbohydrate-based Inhibitors targeting the Ribose-34 pocket of Z.mobilis TGT and changing the oligomeric state of the homodimer
To be published
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5NK9
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2e | | Descriptor: | (2~{Z})-~{N}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2017-03-31 | | Release date: | 2017-06-07 | | Last modified: | 2025-10-15 | | Method: | X-RAY DIFFRACTION (1.588 Å) | | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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6I61
 | | Crystal structure of human ERRg LBD in complex with bisphenol-B | | Descriptor: | 1,2-ETHANEDIOL, Estrogen-related receptor gamma, GLYCEROL, ... | | Authors: | Delfosse, V, Blanc, P, Bourguet, W. | | Deposit date: | 2018-11-15 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
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5NKE
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3a | | Descriptor: | 2-[[3-bromanyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2017-03-31 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
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6ING
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