7F3B
 
 | | cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | | Descriptor: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | | Authors: | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | | Deposit date: | 2021-06-16 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.
Eur.J.Med.Chem., 228, 2022
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3EBB
 | | PLAP/P97 complex | | Descriptor: | MAGNESIUM ION, PHOSPHOLIPASE A2-ACTIVATING PROTEIN, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE (TER ATP | | Authors: | Walker, J.R, Qiu, L, Akutsu, M, Slessarev, Y, Amaya, M.F, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-08-27 | | Release date: | 2009-02-24 | | Last modified: | 2014-04-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and function of the PLAA/Ufd3-p97/Cdc48 complex.
J.Biol.Chem., 285, 2010
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5L08
 | | Cryo-EM structure of Casp-8 tDED filament | | Descriptor: | Caspase-8 | | Authors: | Fu, T.M, Li, Y, Lu, A, Wu, H. | | Deposit date: | 2016-07-26 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Cryo-EM Structure of Caspase-8 Tandem DED Filament Reveals Assembly and Regulation Mechanisms of the Death-Inducing Signaling Complex.
Mol.Cell, 64, 2016
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7P88
 | | Crystal structure of YTHDC1 with compound YLI_DC1_002 | | Descriptor: | 2-chloranyl-~{N}-methyl-9~{H}-purin-6-amine, SULFATE ION, YTH domain-containing protein 1 | | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | | Deposit date: | 2021-07-21 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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7P8B
 | | Crystal structure of YTHDC1 with compound YLI_DC1_006 | | Descriptor: | 9-cyclopropyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1 | | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | | Deposit date: | 2021-07-21 | | Release date: | 2021-10-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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7P8A
 | | Crystal structure of YTHDC1 with compound YLI_DC1_003 | | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N},9-dimethylpurin-6-amine | | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | | Deposit date: | 2021-07-21 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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7P87
 | | Crystal structure of YTHDC1 with compound YLI_DC1_001 | | Descriptor: | N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, SULFATE ION, YTH domain-containing protein 1 | | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | | Deposit date: | 2021-07-21 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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7P8F
 | | Crystal structure of YTHDC1 with compound YLI_DC1_008 | | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | | Deposit date: | 2021-07-21 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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2XAD
 | | Crystal structure of deacetylase-teicoplanin complex in biosynthesis pathway of teicoplanin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, 8-METHYLNONANOIC ACID, ... | | Authors: | Chan, H.C, Huang, Y.T, Lyu, S.Y, Huang, C.J, Li, Y.S, Liu, Y.C, Chou, C.C, Tsai, M.D, Li, T.L. | | Deposit date: | 2010-03-31 | | Release date: | 2011-03-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Regioselective Deacetylation Based on Teicoplanin-Complexed Orf2 Crystal Structures.
Mol.Biosyst., 7, 2011
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8BS6
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2X9L
 | | Crystal structure of deacetylase-bog complex in biosynthesis pathway of teicoplanin. | | Descriptor: | N-ACYL GLM PEUDO-TEICOPLANIN DEACETYLASE, ZINC ION, octyl beta-D-glucopyranoside | | Authors: | Chan, H.C, Huang, Y.T, Lyu, S.Y, Huang, C.J, Li, Y.S, Liu, Y.C, Chou, C.C, Tsai, M.D, Li, T.L. | | Deposit date: | 2010-03-23 | | Release date: | 2011-02-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.732 Å) | | Cite: | Regioselective Deacetylation Based on Teicoplanin-Complexed Orf2 Crystal Structures.
Mol.Biosyst., 7, 2011
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4WVD
 | | Identification of a novel FXR ligand that regulates metabolism | | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ... | | Authors: | Wang, R, Li, Y. | | Deposit date: | 2014-11-05 | | Release date: | 2015-02-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism.
Nat Commun, 4, 2013
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4S05
 | | Crystal structure of Klebsiella pneumoniae PmrA in complex with PmrA box DNA | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, DNA (26-MER), DNA-binding transcriptional regulator BasR, ... | | Authors: | Hsiao, C.D, Weng, T.H, Li, Y.C. | | Deposit date: | 2014-12-30 | | Release date: | 2015-11-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure and dynamics of polymyxin-resistance-associated response regulator PmrA in complex with promoter DNA.
Nat Commun, 6, 2015
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5KO9
 | | Crystal Structure of the SRAP Domain of Human HMCES Protein | | Descriptor: | Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, UNKNOWN ATOM OR ION | | Authors: | Halabelian, L, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-29 | | Release date: | 2016-08-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
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4S04
 | | Crystal structure of Klebsiella pneumoniae PmrA in complex with PmrA box DNA | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, DNA (25-MER), DNA-binding transcriptional regulator BasR, ... | | Authors: | Hsiao, C.D, Weng, T.H, Li, Y.C. | | Deposit date: | 2014-12-30 | | Release date: | 2015-11-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure and dynamics of polymyxin-resistance-associated response regulator PmrA in complex with promoter DNA.
Nat Commun, 6, 2015
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6DWO
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7EPX
 | | S protein of SARS-CoV-2 in complex with GW01 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Shen, Y.P, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q. | | Deposit date: | 2021-04-28 | | Release date: | 2022-05-18 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Novel sarbecovirus bispecific neutralizing antibodies with exceptional breadth and potency against currently circulating SARS-CoV-2 variants and sarbecoviruses.
Cell Discov, 8, 2022
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4RXX
 | | Crystal Structure of the N-terminal Domain of Human Ubiquitin Specific Protease 38 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, UNKNOWN ATOM OR ION, ... | | Authors: | Dong, A, Shen, L, Hu, J, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-12-12 | | Release date: | 2015-01-21 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal Structure of the N-terminal Domain of Human Ubiquitin Specific Protease 38
to be published
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2AXJ
 | | Crystal structures of T cell receptor beta chains related to rheumatoid arthritis | | Descriptor: | SF4 T cell receptor beta chain | | Authors: | Li, H, Van Vranken, S, Zhao, Y, Li, Z, Guo, Y, Eisele, L, Li, Y. | | Deposit date: | 2005-09-05 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structures of T cell receptor (beta) chains related to rheumatoid arthritis.
Protein Sci., 14, 2005
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2AXH
 | | Crystal structures of T cell receptor beta chains related to rheumatoid arthritis | | Descriptor: | T cell receptor beta chain | | Authors: | Li, H, Van Vranken, S, Zhao, Y, Li, Z, Guo, Y, Eisele, L, Li, Y. | | Deposit date: | 2005-09-05 | | Release date: | 2005-09-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of T cell receptor (beta) chains related to rheumatoid arthritis.
Protein Sci., 14, 2005
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4TVR
 | | Tandem Tudor and PHD domains of UHRF2 | | Descriptor: | E3 ubiquitin-protein ligase UHRF2, UNKNOWN ATOM OR ION, ZINC ION | | Authors: | Walker, J.R, Dong, A, Zhang, Q, Ong, M, Duan, S, Li, Y, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-27 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structure of the Tandem Tudor and PHD domains of UHRF2
To be published
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5B73
 | | Crystal structure of human ZMYND8 PHD-Bromo-PWWP domain | | Descriptor: | Protein kinase C-binding protein 1, ZINC ION | | Authors: | Li, H, Li, Y, Zheng, X. | | Deposit date: | 2016-06-03 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | ZMYND8 Reads the Dual Histone Mark H3K4me1-H3K14ac to Antagonize the Expression of Metastasis-Linked Genes
Mol.Cell, 63, 2016
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7EUZ
 | | Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis. | | Descriptor: | (2S,3R)-2-azanyl-3-(1H-indol-3-yl)butanoic acid, Cupin domain-containing protein, FE (III) ION, ... | | Authors: | Li, T.L, Li, Y.S, Chen, M.H. | | Deposit date: | 2021-05-19 | | Release date: | 2022-03-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.91028166 Å) | | Cite: | Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
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7EUE
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7EQK
 | | Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis. | | Descriptor: | (E)-3-(1H-indol-3-yl)-2-oxidanyl-but-2-enoic acid, 1-(1~{H}-indol-3-yl)ethanone, Cupin domain-containing protein, ... | | Authors: | Li, T.L, Li, Y.S, Chen, M.H. | | Deposit date: | 2021-05-03 | | Release date: | 2022-03-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.04001021 Å) | | Cite: | Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
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