8TK5
 
 | | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with HEPES | | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | | 登録日 | 2023-07-25 | | 公開日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fragment Screening Platform and Discovery of Novel Fragment Binders of the VHR Phosphatase, a Drug Target for Sepsis and Septic Shock
To Be Published
|
|
7P9D
 | | Crystal structure of Chlamydomonas reinhardtii NADPH Dependent Thioredoxin Reductase 1 domain | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase | | 著者 | Singh, R.K, Marchetti, G.M, Hippler, M, Kuemmel, D. | | 登録日 | 2021-07-27 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structural analysis revealed a novel conformation of the NTRC reductase domain from Chlamydomonas reinhardtii.
J.Struct.Biol., 214, 2021
|
|
7UYH
 | |
8JKR
 | | SP1746 in complex with UMP | | 分子名称: | 1,2-ETHANEDIOL, FE (III) ION, GLYCEROL, ... | | 著者 | Jin, Y, Niu, L, Ke, J. | | 登録日 | 2023-06-01 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
|
|
6MD6
 | | CRYSTAL STRUCTURE ANALYSIS OF PLANT EXOHYDROLASE IN COMPLEX WITH METHYL 2-THIO-BETA-SOPHOROSIDE | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ... | | 著者 | Streltsov, V.A, Luang, S, Hrmova, M. | | 登録日 | 2018-09-04 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
|
|
8QY0
 | | Xylanase from Bacillus circulans mutant E78Q/Y69A bound to xylotriose | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, ZINC ION, ... | | 著者 | Chikunova, A, Saberi, M, Ubbink, M. | | 登録日 | 2023-10-25 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Bimodal substrate binding in the active site of the glycosidase BcX.
Febs J., 291, 2024
|
|
5CAY
 | |
8JYX
 | |
8TK6
 | | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) in apo form | | 分子名称: | Dual specificity protein phosphatase 3 | | 著者 | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | | 登録日 | 2023-07-25 | | 公開日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Fragment Screening Platform and Discovery of Novel Fragment Binders of the VHR Phosphatase, a Drug Target for Sepsis and Septic Shock
To Be Published
|
|
8JNW
 | | PfDXR - Mn2+ - NADPH - MAMK89 quaternary complex | | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ... | | 著者 | Takada, S, Sakamoto, Y, Tanaka, N. | | 登録日 | 2023-06-08 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR).
Acs Infect Dis., 10, 2024
|
|
8TQT
 | | MPI52 bound to Mpro of SARS-CoV-2 | | 分子名称: | (3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate, 3C-like proteinase nsp5 | | 著者 | Blankenship, L.R, Liu, W.R. | | 登録日 | 2023-08-08 | | 公開日 | 2024-08-14 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | MPI52 bound to SARS-CoV-2 Mpro
To Be Published
|
|
7XR0
 | | Crystal structure of T2R-TTL-27a complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-5-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine, CALCIUM ION, ... | | 著者 | Lun, T, Wu, C.Y. | | 登録日 | 2022-05-09 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of T2R-TTL-27a complex
To Be Published
|
|
8TNF
 | |
7YC9
 | | Co-crystal structure of BTK kinase domain with inhibitor | | 分子名称: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | | 著者 | Zhou, X. | | 登録日 | 2022-07-01 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
|
|
5TGI
 | |
8TK4
 | | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with phosphate | | 分子名称: | Dual specificity protein phosphatase 3, PHOSPHATE ION | | 著者 | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | | 登録日 | 2023-07-25 | | 公開日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with phosphate
To Be Published
|
|
5GNG
 | |
8JNV
 | | PfDXR - Mn2+ - MAMK89 ternary complex | | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ... | | 著者 | Takada, S, Sakamoto, Y, Tanaka, N. | | 登録日 | 2023-06-06 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR).
Acs Infect Dis., 10, 2024
|
|
7UWO
 | | Structure of beta-catenin in complex with FP05874, a Helicon Polypeptide | | 分子名称: | Catenin beta-1, Helicon Polypeptide FP05874, N,N'-(1,4-phenylene)diacetamide | | 著者 | Agarwal, S, Thomson, T, Wahl, S, Ramirez, J, Hriniak, B, Verdine, G, McGee, J. | | 登録日 | 2022-05-03 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7UXQ
 | | Structure of PDL1 in complex with FP28135, a Helicon Polypeptide | | 分子名称: | 1,2-ETHANEDIOL, FP28135, N,N'-(1,4-phenylene)diacetamide, ... | | 著者 | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Wahl, S, Verdine, G, McGee, J. | | 登録日 | 2022-05-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
8QY3
 | | Xylanase from Bacillus circulans mutant E78Q/F125A bound to xylotriose | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Endo-1,4-beta-xylanase, ... | | 著者 | Chikunova, A, Saberi, M, Ubbink, M. | | 登録日 | 2023-10-25 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Bimodal substrate binding in the active site of the glycosidase BcX.
Febs J., 291, 2024
|
|
8JKP
 | | SP1746 in complex with dTMP | | 分子名称: | FE (III) ION, GLYCEROL, SULFATE ION, ... | | 著者 | Jin, Y, Ke, J, Niu, L. | | 登録日 | 2023-06-01 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
|
|
7ON3
 | | SaFtsZ complexed with GDP (soak 10 mM EGTA) | | 分子名称: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | 登録日 | 2021-05-25 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
|
|
8TQH
 | | MPI68 bound to Mpro of SARS-CoV-2 | | 分子名称: | 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | | 著者 | Blankenship, L.R, Liu, W.R. | | 登録日 | 2023-08-07 | | 公開日 | 2024-08-14 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | MPI68 bound to SARS-CoV-2 Mpro
To Be Published
|
|
7XWW
 | | Crystal structure of NTR in complex with BN-XB | | 分子名称: | 2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-8-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene, Dihydropteridine reductase, FLAVIN MONONUCLEOTIDE | | 著者 | Chen, X, Chen, J, Li, J.L. | | 登録日 | 2022-05-27 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of NTR in complex with BN-XB
To Be Published
|
|
