6ZD9
 
 | | Crystal structure of YTHDC1 apo purified using GST tag | | Descriptor: | DI(HYDROXYETHYL)ETHER, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Caflisch, A. | | Deposit date: | 2020-06-14 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
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8SPC
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6ZD7
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7QGL
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7QGA
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7QGO
 | | Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III) | | Descriptor: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | | Authors: | Strater, N. | | Deposit date: | 2021-12-09 | | Release date: | 2022-02-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.206 Å) | | Cite: | Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
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8ELM
 | | Apo human biliverdin reductase beta (293K) | | Descriptor: | Flavin reductase (NADPH), SODIUM ION | | Authors: | McLeod, M.J, Eisenmesser, E.Z, Lee, E, Thorne, R.E. | | Deposit date: | 2022-09-26 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Identifying structural and dynamic changes during the Biliverdin Reductase B catalytic cycle.
Front Mol Biosci, 10, 2023
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6ZCN
 | | Crystal structure of YTHDC1 with m6A | | Descriptor: | N6-METHYLADENOSINE-5'-MONOPHOSPHATE, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-06-11 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
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8EGZ
 | | Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, POTASSIUM ION, ... | | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | | Deposit date: | 2022-09-13 | | Release date: | 2023-10-04 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
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8EH0
 | | Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with quinoline N-oxide | | Descriptor: | 1,2-ETHANEDIOL, 1-oxo-1lambda~5~-quinoline, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ... | | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | | Deposit date: | 2022-09-13 | | Release date: | 2023-10-04 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
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8EH1
 | | Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with 4-hydroxyquinoline | | Descriptor: | 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, Engineered tyrosine synthase (TmTyrS1), POTASSIUM ION, ... | | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | | Deposit date: | 2022-09-13 | | Release date: | 2023-10-04 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
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8EGY
 | | Engineered holo tyrosine synthase (TmTyrS1) derived from T. maritima TrpB | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | | Deposit date: | 2022-09-13 | | Release date: | 2023-10-04 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
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8T1H
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6ZD4
 | | Crystal structure of YTHDC1 S378A mutant | | Descriptor: | SULFATE ION, YTH domain containing 1 | | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | | Deposit date: | 2020-06-13 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
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6NN6
 | | Structure of Dot1L-H2BK120ub nucleosome complex | | Descriptor: | DNA (145-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Anderson, C.J, Baird, M.R, Hsu, A, Barbour, E.H, Koyama, Y, Borgnia, M.J, McGinty, R.K. | | Deposit date: | 2019-01-14 | | Release date: | 2019-02-13 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural Basis for Recognition of Ubiquitylated Nucleosome by Dot1L Methyltransferase.
Cell Rep, 26, 2019
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6ZCM
 | | Crystal structure of YTHDC1 with compound DHU_DC1_180 | | Descriptor: | 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-06-11 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
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6ZD3
 | | Crystal structure of YTHDC1 M438A mutant | | Descriptor: | DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain containing 1 | | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | | Deposit date: | 2020-06-13 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
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6Z18
 | | Crystal structure of RNA-10mer: CCGG(N4,N4-dimethyl-C)GCCGG; R32 form | | Descriptor: | RNA-10mer: CCGG(N4,N4-dimethyl-C)GCCGG | | Authors: | Ruszkowski, M, Sekula, B, Mao, S, Haruehanroengra, P, Sheng, J. | | Deposit date: | 2020-05-12 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Base pairing, structural and functional insights into N4-methylcytidine (m4C) and N4,N4-dimethylcytidine (m42C) modified RNA.
Nucleic Acids Res., 48, 2020
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8F6U
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8F6V
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6Z6R
 | | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, N-oxalyl-alpha-methylalanine, and factor X substrate peptide fragment(39mer-4Ser) | | Descriptor: | Aspartyl/asparaginyl beta-hydroxylase, BROMIDE ION, Coagulation factor X, ... | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2020-05-29 | | Release date: | 2021-03-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
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6Z6Q
 | | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-ethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) | | Descriptor: | (3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2020-05-29 | | Release date: | 2021-03-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
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7QHP
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7QQR
 | | SpCas9 bound to AAVS1 off-target5 DNA substrate | | Descriptor: | 1,2-ETHANEDIOL, AAVS1 off-target5 non-target strand, AAVS1 off-target5 target strand, ... | | Authors: | Pacesa, M, Jinek, M. | | Deposit date: | 2022-01-10 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural basis for Cas9 off-target activity.
Cell, 185, 2022
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7QQV
 | | SpCas9 bound to FANCF off-target3 DNA substrate | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target3 non-target strand, FANCF off-target3 target strand, ... | | Authors: | Pacesa, M, Jinek, M. | | Deposit date: | 2022-01-10 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for Cas9 off-target activity.
Cell, 185, 2022
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