8PND
 
 | | The ES3 intermediate of hydroxymethylbilane synthase R167Q variant | | 分子名称: | 1,2-ETHANEDIOL, 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, GLYCEROL, ... | | 著者 | Saeter, M.C, Bustad, H.J, Laitaoja, M, Janis, J, Martinez, A, Aarsand, A.K, Kallio, J.P. | | 登録日 | 2023-06-30 | | 公開日 | 2023-11-01 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | One ring closer to a closure: the crystal structure of the ES 3 hydroxymethylbilane synthase intermediate.
Febs J., 291, 2024
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8PN5
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8PN3
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8PN1
 | | CryoEM structure of Nal1 protein, allele SPIKE, from Oryza sativa japonica group | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein NARROW LEAF 1 | | 著者 | Huang, L.Y, Rety, S, Xi, X.G. | | 登録日 | 2023-06-29 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | | 主引用文献 | The catalytic triad of rice NARROW LEAF1 involves H234.
Nat.Plants, 10, 2024
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8PMZ
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8PMU
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8PMS
 | | NADase from Aspergillus fumigatus with replaced C-terminus from Neurospora crassa | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M. | | 登録日 | 2023-06-29 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Novel Calcium-Binding Motif Stabilizes and Increases the Activity of Aspergillus fumigatus Ecto-NADase.
Biochemistry, 62, 2023
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8PMR
 | | NADase from Aspergillus fumigatus with mutated calcium binding motif (D219A/E220A) | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M. | | 登録日 | 2023-06-29 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Novel Calcium-Binding Motif Stabilizes and Increases the Activity of Aspergillus fumigatus Ecto-NADase.
Biochemistry, 62, 2023
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8PMM
 | | Structure of Nal1 protein, allele SPIKE from japonica rice, construct 31-458 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Huang, L.Y, Rety, S, Xi, X.G. | | 登録日 | 2023-06-29 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | The catalytic triad of rice NARROW LEAF1 involves H234.
Nat.Plants, 10, 2024
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8PML
 | | Structure of Nal1 protein , SPIKE allele from japonica rice, construct 46-458 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein NARROW LEAF 1 | | 著者 | Huang, L.Y, Rety, S, Xi, X.G. | | 登録日 | 2023-06-29 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | The catalytic triad of rice NARROW LEAF1 involves H234.
Nat.Plants, 10, 2024
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8PM4
 | | Cryo-EM structure of the Cas12m-crRNA-target DNA complex | | 分子名称: | DNA oligoduplex, non-target strand, chain D, ... | | 著者 | Sasnauskas, G, Tamulaitiene, G, Karvelis, T, Bigelyte, G, Siksnys, V. | | 登録日 | 2023-06-28 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (2.93 Å) | | 主引用文献 | Innate programmable DNA binding by CRISPR-Cas12m effectors enable efficient base editing.
Nucleic Acids Res., 52, 2024
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8PM3
 | | Crystal structure of MAP2K6 with a covalent compound GCL94 | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 6, ~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide | | 著者 | Wang, G.Q, Seidler, N, Roehm, S, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-06-28 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of MAP2K6 with a covalent compound GCL94
To Be Published
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8PLZ
 | | Cryo-EM structure of CAK in complex with inhibitor CT7030 | | 分子名称: | (3~{R},4~{R})-4-[[[7-[(2-methoxyphenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | 登録日 | 2023-06-27 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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8PLU
 | | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 31. | | 分子名称: | 4-propan-2-yl-~{N}-pyridin-2-yl-benzamide, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | | 著者 | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | | 登録日 | 2023-06-27 | | 公開日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
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8PLR
 | | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 28. | | 分子名称: | (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | | 著者 | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | | 登録日 | 2023-06-27 | | 公開日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
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8PLL
 | | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 22. | | 分子名称: | 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | | 著者 | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | | 登録日 | 2023-06-27 | | 公開日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
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8PKX
 | | Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 11 (ortho-WRCNPETaEC). | | 分子名称: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Braun, M.B, Bischof, L, Hartmann, M.D. | | 登録日 | 2023-06-27 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
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8PKW
 | | Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 5 (ortho-WRCDPETaEC). | | 分子名称: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Braun, M.B, Bischof, L, Hartmann, M.D. | | 登録日 | 2023-06-27 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
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8PKV
 | | Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 4 (ortho-WRCDEETGEC). | | 分子名称: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Braun, M.B, Bischof, L, Hartmann, M.D. | | 登録日 | 2023-06-27 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
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8PKU
 | | Kelch domain of KEAP1 in complex with ortho-dimethylbenzene linked cyclic peptide 3 (ortho-WRCDEETGEC). | | 分子名称: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Braun, M.B, Bischof, L, Hartmann, M.D. | | 登録日 | 2023-06-27 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
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8PKR
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8PKM
 | | Befiradol-bound serotonin 5-HT1A receptor - Gi Protein Complex | | 分子名称: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, (3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone, 5-hydroxytryptamine receptor 1A, ... | | 著者 | Schneider, J, Gmeiner, P, Hove, T.T, Rasmussen, T, Boettcher, B. | | 登録日 | 2023-06-27 | | 公開日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Discovery of a functionally selective serotonin 1A receptor agonist
for the treatment of pain
To Be Published
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8PKA
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8PK9
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8PK8
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