8H0Z
 
 | | Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-122 Conformation | | 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, BILIVERDINE IX ALPHA, ... | | 著者 | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | | 登録日 | 2022-09-30 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-07-19 | | 実験手法 | ELECTRON MICROSCOPY (2.99 Å) | | 主引用文献 | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
|
|
7MRJ
 | | Crystal structure of a novel ubiquitin-like TINCR | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Forouhar, F, Morgado-Palacin, L, Brown, J.A, Martinez, T, Pedrero, J.M.G, Reglero, C, Chaudhry, I, Vaughan, J, Rodriguez-Perales, S, Allonca, E, Granda-Diaz, R, Quinn, S.A, Fernandez, A.F, Fraga, M.F, Kim, A.L, Santos-Juanes, J, Owens, D.M, Rodrigo, J.P, Saghatelian, A, Ferrando, A.A. | | 登録日 | 2021-05-07 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | The TINCR ubiquitin-like microprotein is a tumor suppressor in squamous cell carcinoma.
Nat Commun, 14, 2023
|
|
7M7C
 | | Crystal Structure of Hip1 (Rv2224c) mutant - T466A/S228DHA (dehydroalanine) | | 分子名称: | Carboxylesterase A | | 著者 | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | 登録日 | 2021-03-27 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Inhibitors and Inactivators of Mycobacterium tuberculosis serine protease Hip1 (Rv2224c)
To Be Published
|
|
7OKS
 | | X-ray structure of soluble EPCR in P212121 space group | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Erausquin, E, Dichiara, M.G, Lopez-Sagaseta, J. | | 登録日 | 2021-05-18 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Identification of a broad lipid repertoire associated to the endothelial cell protein C receptor (EPCR).
Sci Rep, 12, 2022
|
|
7OKT
 | | X-ray structure of soluble EPCR in C2221 space group | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Endothelial protein C receptor, ... | | 著者 | Erausquin, E, Dichiara, M.G, Lopez-Sagaseta, J. | | 登録日 | 2021-05-18 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Identification of a broad lipid repertoire associated to the endothelial cell protein C receptor (EPCR).
Sci Rep, 12, 2022
|
|
7MLK
 | | Crystal structure of human PI3Ka (p110a subunit) with MMV085400 bound to the active site determined at 2.9 angstroms resolution | | 分子名称: | 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Krake, S.H, Martinez, P.D.G, Poggi, M.L, Ferreira, M.S, Aguiar, A.C.C, Souza, G.E, Wenlock, M, Jones, B, Steinbrecher, T, Day, T, McPhail, J, Burke, J, Yeo, T, Mok, S, Uhlemann, A.C, Fidock, D.A, Chen, P, Grodsky, N, Deng, Y.L, Guido, R.V.C, Campbell, S.F, Willis, P.A, Dias, L.C. | | 登録日 | 2021-04-28 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Discovery of 2,6-disubstituted pyrazines as potent PI4K inhibitors with antimalarial activity
To Be Published
|
|
8CJA
 | | A225L/F231A variant of the CODH/ACS complex of C. hydrogenoformans | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ... | | 著者 | Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H. | | 登録日 | 2023-02-13 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Coupling CO2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis.
Angew.Chem.Int.Ed.Engl., 2024
|
|
7PCS
 | | Structure of the heterotetrameric SDR family member BbsCD | | 分子名称: | BbsC, BbsD, GLYCEROL, ... | | 著者 | Essen, L.-O, Heider, J, von Horsten, S. | | 登録日 | 2021-08-04 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Inactive pseudoenzyme subunits in heterotetrameric BbsCD, a novel short-chain alcohol dehydrogenase involved in anaerobic toluene degradation.
Febs J., 289, 2022
|
|
7OSH
 | | ABC Transporter complex NosDFYL, R-domain 2 | | 分子名称: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | | 著者 | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | | 登録日 | 2021-06-08 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-07-05 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
|
|
3HW1
 | | Structure of Bace (beta secretase) in complex with ligand EV2 | | 分子名称: | 3-pyrrolidin-1-ylquinoxalin-2-amine, Beta-secretase 1, GLYCEROL | | 著者 | Godemann, R, Madden, J, Kramer, J, Smith, M.A, Barker, J, Ebneth, A. | | 登録日 | 2009-06-17 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Fragment-Based Discovery of BACE1 Inhibitors Using Functional Assays
Biochemistry, 48, 2009
|
|
7OSJ
 | | ABC Transporter complex NosDFYL, membrane anchor | | 分子名称: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | | 著者 | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | | 登録日 | 2021-06-08 | | 公開日 | 2022-06-22 | | 最終更新日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
|
|
7OSG
 | | ABC Transporter complex NosDFYL, consensus refinement | | 分子名称: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | | 著者 | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | | 登録日 | 2021-06-08 | | 公開日 | 2022-06-22 | | 最終更新日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
|
|
7OSI
 | | ABC Transporter complex NosDFYL, R-domain 3 | | 分子名称: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | | 著者 | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | | 登録日 | 2021-06-08 | | 公開日 | 2022-06-22 | | 最終更新日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
|
|
7OSF
 | | ABC Transporter complex NosDFYL, R-domain 1 | | 分子名称: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | | 著者 | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | | 登録日 | 2021-06-08 | | 公開日 | 2022-06-22 | | 最終更新日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
|
|
6U8P
 | | Crystal structure of DNMT3B-DNMT3L in complex with CpGpA DNA | | 分子名称: | CpGpA DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | | 著者 | Gao, L, Song, J. | | 登録日 | 2019-09-05 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
|
|
6OCR
 | | Crystal structure of human KCTD16 T1 domain | | 分子名称: | BTB/POZ domain-containing protein KCTD16 | | 著者 | Zuo, H, Glaaser, I, Zhao, Y, Kurinov, I, Mosyak, L, Wang, H, Liu, J, Park, J, Frangaj, A, Sturchler, E, Zhou, M, McDonald, P, Geng, Y, Slesinger, P.A, Fan, Q.R. | | 登録日 | 2019-03-25 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structural basis for auxiliary subunit KCTD16 regulation of the GABABreceptor.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6ODC
 | | Crystal structure of HDAC8 in complex with compound 30 | | 分子名称: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | | 著者 | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | 登録日 | 2019-03-26 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
|
|
6ODA
 | | Crystal structure of HDAC8 in complex with compound 2 | | 分子名称: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | | 著者 | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | 登録日 | 2019-03-26 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
|
|
7OKV
 | | Crystal structure of soluble EPCR after exposure to the nonionic surfactant Polysorbate 20 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ... | | 著者 | Erausquin, E, Dichiara, M.G, Lopez-Sagaseta, J. | | 登録日 | 2021-05-18 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Identification of a broad lipid repertoire associated to the endothelial cell protein C receptor (EPCR).
Sci Rep, 12, 2022
|
|
7P4L
 | | Crystal structure of the trimeric ectodomain of archaeal Fusexin1 (Fsx1) | | 分子名称: | CALCIUM ION, CHLORIDE ION, Fusexin1, ... | | 著者 | Nishio, S, Tunyasuvunakool, K, Jumper, J, De Sanctis, D, Jovine, L. | | 登録日 | 2021-07-12 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of archaeal fusexins homologous to eukaryotic HAP2/GCS1 gamete fusion proteins.
Nat Commun, 13, 2022
|
|
6ROY
 | |
7YYW
 | | Molecular snapshots of drug release from tubulin: 10 nanoseconds after photoactivation. | | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | 著者 | Wranik, M, Weinert, T, Standfuss, J. | | 登録日 | 2022-02-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
|
|
7YZ5
 | | Molecular snapshots of drug release from tubulin: 100 milliseconds (steady state) | | 分子名称: | CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Wranik, M, Weinert, T, Standfuss, J. | | 登録日 | 2022-02-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
|
|
8C1U
 | | SFX structure of D.m(6-4)photolyase | | 分子名称: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | 著者 | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | 登録日 | 2022-12-21 | | 公開日 | 2023-11-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
|
|
7YZ2
 | | Molecular snapshots of drug release from tubulin: 10 milliseconds after photoactivation. | | 分子名称: | Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Wranik, M, Weinert, T, Standfuss, J. | | 登録日 | 2022-02-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
|
|
