6BUQ
 
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6DRT
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7MLR
 | | X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1- yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (DW34) | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ... | | Authors: | Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2021-04-28 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
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7MLS
 | | X-ray crystal structure of human BRD4(D1) in complex with 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine (compound 23) | | Descriptor: | 1,2-ETHANEDIOL, 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine, Bromodomain-containing protein 4, ... | | Authors: | Cui, H, Johnson, J.A, Zahid, H, Buchholz, C.R, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2021-04-28 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
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4F43
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4F41
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7K30
 | | Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with dU at the active site | | Descriptor: | 1,2-ETHANEDIOL, DNA (27-MER), Endonuclease Q, ... | | Authors: | Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H. | | Deposit date: | 2020-09-10 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7K31
 | | Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with dI at the active site | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (27-MER), ... | | Authors: | Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H. | | Deposit date: | 2020-09-10 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7M8R
 | | Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with fluorosubstituted tryptophans | | Descriptor: | 1,1,1-tris(fluoranyl)propan-2-one, 1,2-ETHANEDIOL, BENZOIC ACID, ... | | Authors: | Johns, J.C, Banerjee, R, Shi, K, Semonis, M.M, Aihara, H, Pomerantz, W.C.K, Lipscomb, J.D. | | Deposit date: | 2021-03-30 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Soluble Methane Monooxygenase Component Interactions Monitored by 19 F NMR.
Biochemistry, 60, 2021
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7MLQ
 | | X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (compound 26) | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ... | | Authors: | Cui, H, Johnson, J.A, Vail, N.R, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2021-04-28 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
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7K32
 | | Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with an abasic lesion at the active site | | Descriptor: | DNA (27-MER), Endonuclease Q, MAGNESIUM ION, ... | | Authors: | Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H. | | Deposit date: | 2020-09-10 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7K33
 | | Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with an abasic lesion at the active site | | Descriptor: | DNA (27-MER), Endonuclease Q, MAGNESIUM ION, ... | | Authors: | Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H. | | Deposit date: | 2020-09-10 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4E0J
 | | Protelomerase tela R255A mutant complexed with DNA hairpin product | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3'), ... | | Authors: | Shi, K, Aihara, H. | | Deposit date: | 2012-03-04 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Plos Biol., 11, 2013
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4E0Y
 | | Protelomerase tela covalently complexed with mutated substrate DNA | | Descriptor: | DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*AP*T)-3'), DNA (5'-D(*CP*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3'), GLYCEROL, ... | | Authors: | Shi, K, Aihara, H. | | Deposit date: | 2012-03-05 | | Release date: | 2013-02-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Plos Biol., 11, 2013
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4E0P
 | | Protelomerase tela covalently complexed with substrate DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3'), ... | | Authors: | Shi, K, Aihara, H. | | Deposit date: | 2012-03-05 | | Release date: | 2013-02-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Plos Biol., 11, 2013
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4F1I
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4E0Z
 | | Protelomerase tela R205A covalently complexed with substrate DNA | | Descriptor: | DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*CP*A*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3'), GLYCEROL, ... | | Authors: | Shi, K, Aihara, H. | | Deposit date: | 2012-03-05 | | Release date: | 2013-02-13 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Plos Biol., 11, 2013
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4F1H
 | | Crystal structure of TDP2 from Danio rerio complexed with a single strand DNA | | Descriptor: | DNA (5'-D(P*TP*GP*CP*AP*G)-3'), GLYCEROL, MAGNESIUM ION, ... | | Authors: | Shi, K, Kurahashi, K, Aihara, H. | | Deposit date: | 2012-05-06 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.662 Å) | | Cite: | Structural basis for recognition of 5'-phosphotyrosine adducts by Tdp2.
Nat.Struct.Mol.Biol., 19, 2012
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4FPV
 | | Crystal structure of D. rerio TDP2 complexed with single strand DNA product | | Descriptor: | DNA (5'-D(P*TP*GP*CP*AP*G)-3'), GLYCEROL, MAGNESIUM ION, ... | | Authors: | Shi, K, Kurahashi, K, Aihara, H. | | Deposit date: | 2012-06-22 | | Release date: | 2012-10-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural basis for recognition of 5'-phosphotyrosine adducts by Tdp2.
Nat.Struct.Mol.Biol., 19, 2012
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7JN3
 | | Cryo-EM structure of Rous sarcoma virus cleaved synaptic complex (CSC) with HIV-1 integrase strand transfer inhibitor MK-2048 | | Descriptor: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*GP*CP*AP*TP*AP*AP*GP*AP*CP*AP*AP*CP*A)-3'), ... | | Authors: | Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P. | | Deposit date: | 2020-08-03 | | Release date: | 2021-03-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Cryo-EM structure of the Rous sarcoma virus octameric cleaved synaptic complex intasome.
Commun Biol, 4, 2021
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7KUI
 | | Cryo-EM structure of Rous sarcoma virus cleaved synaptic complex (CSC) with HIV-1 integrase strand transfer inhibitor MK-2048. CIC region of a cluster identified by 3-dimensional variability analysis in cryoSPARC. | | Descriptor: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*GP*CP*AP*TP*AP*AP*GP*AP*CP*AP*AP*CP*A)-3'), ... | | Authors: | Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P. | | Deposit date: | 2020-11-25 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of the Rous sarcoma virus octameric cleaved synaptic complex intasome.
Commun Biol, 4, 2021
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7KU7
 | | Cryo-EM structure of Rous sarcoma virus cleaved synaptic complex (CSC) with HIV-1 integrase strand transfer inhibitor MK-2048. Cluster identified by 3-dimensional variability analysis in cryoSPARC. | | Descriptor: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*GP*CP*AP*TP*AP*AP*GP*AP*CP*AP*AP*CP*A)-3'), ... | | Authors: | Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P. | | Deposit date: | 2020-11-24 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of the Rous sarcoma virus octameric cleaved synaptic complex intasome.
Commun Biol, 4, 2021
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7JT4
 | | Crystal Structure of BPTF bromodomain labelled with 5-fluoro-tryptophan | | Descriptor: | Nucleosome-remodeling factor subunit BPTF | | Authors: | Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2020-08-17 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor
Org.Biomol.Chem., 17, 2019
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8SNI
 | | Hydroxynitrile Lyase from Hevea brasiliensis with Forty Mutations | | Descriptor: | (S)-hydroxynitrile lyase, 1,2-ETHANEDIOL, BENZOIC ACID, ... | | Authors: | Walsh, M.E, Greenberg, L.R, Kazlauskas, R.J, Pierce, C.T, Aihara, H, Evans, R.L, Shi, K. | | Deposit date: | 2023-04-27 | | Release date: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | To be published
To Be Published
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4EP4
 | | Thermus thermophilus RuvC structure | | Descriptor: | Crossover junction endodeoxyribonuclease RuvC, GLYCEROL, MAGNESIUM ION | | Authors: | Chen, L, Shi, K, Yin, Z.Q, Aihara, H. | | Deposit date: | 2012-04-17 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Structural asymmetry in the Thermus thermophilus RuvC dimer suggests a basis for sequential strand cleavages during Holliday junction resolution.
Nucleic Acids Res., 41, 2013
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