7WZX
 
 | | The structure of a Twitch Radical SAM Dehydrogenase SpeY | | Descriptor: | (2~{S},4~{S},6~{R})-2-[(2~{S},3~{R},5~{S},6~{R})-3,5-bis(methylamino)-2,4,6-tris(oxidanyl)cyclohexyl]oxy-6-methyl-4-oxidanyl-oxan-3-one, 4Fe-4S cluster-binding domain-containing protein, GLYCEROL, ... | | Authors: | Hou, X.L, Zhou, J.H. | | Deposit date: | 2022-02-19 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.980013 Å) | | Cite: | Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
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7X0B
 | | The structure of a Twitch Radical SAM Dehydrogenase SpeY | | Descriptor: | 4Fe-4S cluster-binding domain-containing protein, CHLORIDE ION, GLYCEROL, ... | | Authors: | Hou, X.L, Zhou, J.H. | | Deposit date: | 2022-02-21 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.02027535 Å) | | Cite: | Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
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7WZV
 | | The structure of a Twitch Radical SAM Dehydrogenase SpeY | | Descriptor: | (1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{R},4~{S},6~{R})-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-cyclohexane-1,3,5-triol, 1,2-ETHANEDIOL, 4Fe-4S cluster-binding domain-containing protein, ... | | Authors: | Zhou, J.H, Hou, X.L. | | Deposit date: | 2022-02-19 | | Release date: | 2022-12-28 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.899313 Å) | | Cite: | Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
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5WIG
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3SRQ
 | | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | | Descriptor: | 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Hilgers, M. | | Deposit date: | 2011-07-07 | | Release date: | 2011-08-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
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8YXW
 | | TRIP4 ASCH domain in complex with a 12bp dsDNA (5'-TGAGGTACCTCC-3') | | Descriptor: | Activating signal cointegrator 1, DNA (5'-D(*GP*GP*AP*GP*GP*TP*AP*CP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*CP*C)-3') | | Authors: | Ding, J, Yang, H, Hu, C. | | Deposit date: | 2024-04-03 | | Release date: | 2024-06-26 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Biochemical and structural characterization of the DNA-binding properties of human TRIP4 ASCH domain reveals insights into its functional role.
Structure, 32, 2024
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8YXX
 | | TRIP4 ASCH domain in complex with a 12bp dsDNA (5'-TGAGGTACCTCG-3') | | Descriptor: | Activating signal cointegrator 1, DNA (5'-D(*CP*GP*AP*GP*GP*TP*AP*CP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*CP*G)-3') | | Authors: | Ding, J, Yang, H, Hu, C. | | Deposit date: | 2024-04-03 | | Release date: | 2024-06-26 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Biochemical and structural characterization of the DNA-binding properties of human TRIP4 ASCH domain reveals insights into its functional role.
Structure, 32, 2024
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3SRS
 | | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | | Descriptor: | 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Hilgers, M. | | Deposit date: | 2011-07-07 | | Release date: | 2011-08-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
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3SRU
 | | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | | Descriptor: | Dihydrofolate reductase, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Hilgers, M. | | Deposit date: | 2011-07-07 | | Release date: | 2011-08-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
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8IUE
 | | RNA polymerase III pre-initiation complex melting complex 1 | | Descriptor: | DNA (74-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | Authors: | Hou, H, Jin, Q, Ren, Y, Wang, Q, Xu, Y. | | Deposit date: | 2023-03-24 | | Release date: | 2023-05-24 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure of the SNAPc-bound RNA polymerase III preinitiation complex.
Cell Res., 33, 2023
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8IUH
 | | RNA polymerase III pre-initiation complex open complex 1 | | Descriptor: | DNA (81-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | Authors: | Hou, H, Jin, Q, Ren, Y, Wang, Q, Xu, Y. | | Deposit date: | 2023-03-24 | | Release date: | 2023-05-24 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of the SNAPc-bound RNA polymerase III preinitiation complex.
Cell Res., 33, 2023
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8ITY
 | | human RNA polymerase III pre-initiation complex closed DNA 1 | | Descriptor: | DNA (82-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | Authors: | Hou, H, Jin, Q, Ren, Y, Wang, Q, Xu, Y. | | Deposit date: | 2023-03-23 | | Release date: | 2023-06-07 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the SNAPc-bound RNA polymerase III preinitiation complex.
Cell Res., 33, 2023
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8J5J
 | | The crystal structure of bat coronavirus RsYN04 RBD bound to the antibody S43 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nano antibody S43 | | Authors: | Zhao, R.C, Niu, S, Han, P, Qi, J.X, Gao, G.F, Wang, Q.H. | | Deposit date: | 2023-04-23 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Cross-species recognition of bat coronavirus RsYN04 and cross-reaction of SARS-CoV-2 antibodies against the virus.
Zool.Res., 44, 2023
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3KWW
 | | Crystal structure of the 'restriction triad' mutant of HLA B*3508, beta-2-microglobulin and EBV peptide | | Descriptor: | ACETIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J. | | Deposit date: | 2009-12-01 | | Release date: | 2010-06-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
Proc.Natl.Acad.Sci.USA, 2010
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7QJU
 | | EED in complex with PRC2 allosteric inhibitor compound 7 | | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | Deposit date: | 2021-12-17 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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7QJG
 | | EED in complex with PRC2 allosteric inhibitor compound 6 | | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | Deposit date: | 2021-12-16 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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7QK4
 | | EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) | | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | Deposit date: | 2021-12-17 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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1MDA
 | | CRYSTAL STRUCTURE OF AN ELECTRON-TRANSFER COMPLEX BETWEEN METHYLAMINE DEHYDROGENASE AND AMICYANIN | | Descriptor: | AMICYANIN, COPPER (II) ION, METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT), ... | | Authors: | Chen, L, Durley, R, Mathews, F.S. | | Deposit date: | 1992-03-02 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of an electron-transfer complex between methylamine dehydrogenase and amicyanin.
Biochemistry, 31, 1992
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6KW3
 | | The ClassA RSC-Nucleosome Complex | | Descriptor: | Actin-like protein ARP9, Actin-related protein 7, Chromatin structure-remodeling complex protein RSC3, ... | | Authors: | Ye, Y.P, Wu, H, Chen, K.J, Verma, N, Cairns, B, Gao, N, Chen, Z.C. | | Deposit date: | 2019-09-05 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (7.13 Å) | | Cite: | Structure of the RSC complex bound to the nucleosome.
Science, 366, 2019
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6L30
 | | Crystal structure of the epithelial cell transforming 2 (ECT2) | | Descriptor: | Protein ECT2 | | Authors: | Chen, Z.C, Chen, M.R, Pan, H, Sun, L.F, Shi, P. | | Deposit date: | 2019-10-07 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure and regulation of human epithelial cell transforming 2 protein.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6U3M
 | | DQ2-P.fluor-alpha1a | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha1a peptide, ... | | Authors: | Petersen, J, Rossjohn, J. | | Deposit date: | 2019-08-22 | | Release date: | 2019-12-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease.
Nat.Struct.Mol.Biol., 27, 2020
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6L6L
 | | Structural basis of NR4A2 homodimers binding to selective Nur-responsive elements | | Descriptor: | DNA (5'-D(*AP*AP*AP*GP*GP*TP*CP*AP*AP*AP*CP*TP*GP*TP*GP*AP*CP*CP*TP*AP*T)-3'), DNA (5'-D(P*TP*AP*TP*AP*GP*GP*TP*CP*AP*CP*AP*GP*TP*TP*TP*GP*AP*CP*CP*TP*T)-3'), Nuclear receptor related 1, ... | | Authors: | Jiang, L, Chen, Y. | | Deposit date: | 2019-10-29 | | Release date: | 2019-11-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.781 Å) | | Cite: | Structural basis of binding of homodimers of the nuclear receptor NR4A2 to selective Nur-responsive DNA elements.
J.Biol.Chem., 294, 2019
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6L8L
 | | C-Src in complex with ibrutinib | | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Guo, M, Dai, S, Chen, L, Chen, Y. | | Deposit date: | 2019-11-06 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.888 Å) | | Cite: | Characterization of ibrutinib as a non-covalent inhibitor of SRC-family kinases.
Bioorg.Med.Chem.Lett., 34, 2020
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6DL2
 | | BRD4 bromodomain 1 in complex with HYB157 | | Descriptor: | 1,2-ETHANEDIOL, 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, Bromodomain-containing protein 4 | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2018-05-31 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression.
J. Med. Chem., 61, 2018
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6L6Q
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