2MLB
 
 | | NMR solution structure of a computational designed protein based on template of human erythrocytic ubiquitin | | 分子名称: | redesigned ubiquitin | | 著者 | Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H. | | 登録日 | 2014-02-21 | | 公開日 | 2014-10-29 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
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2MN4
 | | NMR solution structure of a computational designed protein based on structure template 1cy5 | | 分子名称: | Computational designed protein based on structure template 1cy5 | | 著者 | Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H. | | 登録日 | 2014-03-28 | | 公開日 | 2014-10-29 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
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8CK3
 | | STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol | | 分子名称: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, DIMETHYL SULFOXIDE, ... | | 著者 | Musil, D, Lehmannn, M, Diehl, L. | | 登録日 | 2023-02-14 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.707 Å) | | 主引用文献 | Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
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8CK8
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8CK4
 | | STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol | | 分子名称: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | 著者 | Musil, D. | | 登録日 | 2023-02-14 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
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5L6Y
 | | il13 in complex with tralokinumab | | 分子名称: | FORMIC ACID, Interleukin-13, tralokinumab FAb digest VH, ... | | 著者 | Breed, J. | | 登録日 | 2016-06-01 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structural Characterisation Reveals Mechanism of IL-13-Neutralising Monoclonal Antibody Tralokinumab as Inhibition of Binding to IL-13R alpha 1 and IL-13R alpha 2.
J. Mol. Biol., 429, 2017
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8I7X
 | | Crystal structure of human ClpP in complex with ZG36 | | 分子名称: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | 著者 | Wang, P.Y, Gan, J.H, Yang, C.-G. | | 登録日 | 2023-02-02 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Assessment of the structure-activity relationship and antileukemic activity of diacylpyramide compounds as human ClpP agonists.
Eur.J.Med.Chem., 258, 2023
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8HTR
 | | Crystal structure of Bcl2 in complex with S-9c | | 分子名称: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | 著者 | Liu, J, Xu, M, Feng, Y, Liu, Y. | | 登録日 | 2022-12-21 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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8HTS
 | | Crystal structure of Bcl2 in complex with S-10r | | 分子名称: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | 著者 | Liu, J, Xu, M, Feng, Y, Liu, Y. | | 登録日 | 2022-12-21 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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7CRZ
 | | Crystal structure of human glucose transporter GLUT3 bound with C3361 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Solute carrier family 2, ... | | 著者 | Yuan, Y.Y, Zhang, S, Wang, N, Jiang, X, Yan, N. | | 登録日 | 2020-08-14 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Orthosteric-allosteric dual inhibitors of PfHT1 as selective antimalarial agents.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7CMZ
 | | Crystal Structure of BRCT7/8 in Complex with the APS Motif of PHF8 | | 分子名称: | DNA topoisomerase 2-binding protein 1, Histone lysine demethylase PHF8, POTASSIUM ION, ... | | 著者 | Che, S.Y, Ma, S, Cao, C, Yao, Z, Shi, L, Yang, N. | | 登録日 | 2020-07-29 | | 公開日 | 2021-03-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.695 Å) | | 主引用文献 | PHF8-promoted TOPBP1 demethylation drives ATR activation and preserves genome stability.
Sci Adv, 7, 2021
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3OEI
 | | Crystal structure of Mycobacterium tuberculosis RelJK (Rv3357-Rv3358-RelBE3) | | 分子名称: | CITRATE ANION, RelJ (Antitoxin Rv3357), RelK (Toxin Rv3358) | | 著者 | Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2010-08-12 | | 公開日 | 2011-03-16 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.145 Å) | | 主引用文献 | Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes.
Structure, 21, 2013
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1OP2
 | | Crystal Structure of AaV-SP-II, a Glycosylated Snake Venom Serine Proteinase from Agkistrodon acutus | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Venom serine proteinase | | 著者 | Zhu, Z, Teng, M, Niu, L. | | 登録日 | 2003-03-04 | | 公開日 | 2004-05-25 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structures and Amidolytic Activities of Two Glycosylated Snake Venom Serine Proteinases
J.BIOL.CHEM., 280, 2005
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8KHQ
 | | Bifunctional sulfoxide synthase OvoA_Th2 in complex with histidine and cysteine | | 分子名称: | 5-histidylcysteine sulfoxide synthase/putative 4-mercaptohistidine N1-methyltranferase, COBALT (II) ION, CYSTEINE, ... | | 著者 | Wang, J, Ye, K, Wang, X.Y, Yan, W.P. | | 登録日 | 2023-08-22 | | 公開日 | 2023-12-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Biochemical and Structural Characterization of OvoA Th2 : A Mononuclear Nonheme Iron Enzyme from Hydrogenimonas thermophila for Ovothiol Biosynthesis.
Acs Catalysis, 13, 2023
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6H2X
 | | MukB coiled-coil elbow from E. coli | | 分子名称: | Chromosome partition protein MukB,Chromosome partition protein MukB | | 著者 | Buermann, F, Lowe, J. | | 登録日 | 2018-07-16 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A folded conformation of MukBEF and cohesin.
Nat.Struct.Mol.Biol., 26, 2019
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5Y6M
 | | Zika virus helicase in complex with ADP-AlF3 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Helicase domain from Genome polyprotein, ... | | 著者 | Yang, X.Y, Chen, C, Tian, H.L, Chi, H, Mu, Z.Y, Zhang, T.Q, Yang, K.L, Zhao, Q, Liu, X.H, Wang, Z.F, Ji, X.Y, Yang, H.T. | | 登録日 | 2017-08-12 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | | 主引用文献 | Mechanism of ATP hydrolysis by the Zika virus helicase.
FASEB J., 32, 2018
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1OP0
 | | Crystal Structure of AaV-SP-I, a Glycosylated Snake Venom Serine Proteinase from Agkistrodon acutus | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Venom serine proteinase | | 著者 | Zhu, Z, Teng, M, Niu, L. | | 登録日 | 2003-03-04 | | 公開日 | 2004-05-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structures and Amidolytic Activities of Two Glycosylated Snake Venom Serine Proteinases
J.BIOL.CHEM., 280, 2005
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7DQZ
 | | Crystal structure of SARS 3C-like protease in apo form | | 分子名称: | 3C-like proteinase | | 著者 | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | | 登録日 | 2020-12-24 | | 公開日 | 2021-09-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
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3K7Z
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5U6Z
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5KEF
 | | Structure of hypothetical Staphylococcus protein SA0856 with zinc | | 分子名称: | ACETATE ION, PhnB protein, ZINC ION | | 著者 | Battaile, K.P, Chirgadze, Y.N, Lam, R, Chan, T, Mihajlovic, V, Romanov, V, Pai, E, Mendez, V, Chirgadze, N.Y. | | 登録日 | 2016-06-09 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Crystal structure of Staphylococcus aureus Zn-glyoxalase I: new subfamily of glyoxalase I family.
J. Biomol. Struct. Dyn., 36, 2018
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7E8M
 | | Crystal structure of SARS-CoV-2 antibody P2C-1F11 with mutated RBD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ... | | 著者 | Wang, X.Q, Zhang, L.Q, Ge, J.W, Wang, R.K, Lan, J. | | 登録日 | 2021-03-02 | | 公開日 | 2021-05-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Analysis of SARS-CoV-2 variant mutations reveals neutralization escape mechanisms and the ability to use ACE2 receptors from additional species.
Immunity, 54, 2021
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5YZ3
 | | Crystal structure of T2R-TTL-28 complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Yu, Y, Chen, Q. | | 登録日 | 2017-12-12 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.545 Å) | | 主引用文献 | A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors.
Cancer Res., 78, 2018
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4JKZ
 | | Crystal structure of ms6564 from mycobacterium smegmatis | | 分子名称: | Transcriptional regulator, TetR family | | 著者 | Yang, S.F, Gao, Z.Q, He, Z.G, Dong, Y.H. | | 登録日 | 2013-03-12 | | 公開日 | 2013-06-26 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis for interaction between Mycobacterium smegmatis Ms6564, a TetR family master regulator, and its target DNA.
J.Biol.Chem., 288, 2013
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7EO7
 | | Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin | | 分子名称: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | | 著者 | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | | 登録日 | 2021-04-21 | | 公開日 | 2021-10-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.24916625 Å) | | 主引用文献 | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
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