6DPB
 
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4UP0
 | | Ternary crystal structure of the Pygo2 PHD finger in complex with the B9L HD1 domain and a H3K4me2 peptide | | 分子名称: | HISTONE H3.1, PYGOPUS HOMOLOG 2, B-CELL CLL/LYMPHOMA 9-LIKE PROTEIN, ... | | 著者 | Miller, T.C.R, Fiedler, M, Rutherford, T.J, Birchall, K, Chugh, J, Bienz, M. | | 登録日 | 2014-06-11 | | 公開日 | 2014-11-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Competitive Binding of a Benzimidazole to the Histone-Binding Pocket of the Pygo Phd Finger.
Acs Chem.Biol., 9, 2014
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4UF2
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4UF3
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8CMB
 | | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S486-505 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ... | | 著者 | MacLachlan, B.J, Mason, G.H, Godkin, A.J, Rizkallah, P.J. | | 登録日 | 2023-02-19 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
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4UD7
 | | Structure of the stapled peptide YS-02 bound to MDM2 | | 分子名称: | MDM2, YS-02 | | 著者 | Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C. | | 登録日 | 2014-12-08 | | 公開日 | 2016-01-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
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6DQR
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4UE1
 | | Structure of the stapled peptide YS-01 bound to MDM2 | | 分子名称: | E3 UBIQUITIN-PROTEIN LIGASE MDM2, YS-01 | | 著者 | Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C. | | 登録日 | 2014-12-14 | | 公開日 | 2016-01-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
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8BZB
 | | co-soak stabilizers for ERa - 14-3-3 interaction (884_AZ275) | | 分子名称: | 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-ethoxy-1-benzothiophene-2-carboximidamide, ... | | 著者 | Visser, E.J, Sijbesma, E, Ottmann, C. | | 登録日 | 2022-12-14 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8BZ0
 | | single soak stabilizer for ERa - 14-3-3 interaction (AZ275) | | 分子名称: | 14-3-3 protein sigma, 4-ethoxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ... | | 著者 | Visser, E.J, Sijbesma, E, Ottmann, C. | | 登録日 | 2022-12-14 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8BZA
 | | single soak stabilizer for ERa - 14-3-3 interaction (AZ555) | | 分子名称: | 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, ERalpha peptide, ... | | 著者 | Visser, E.J, Sijbesma, E, Ottmann, C. | | 登録日 | 2022-12-14 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8CN1
 | | hDLG1-PDZ1 in complex with a TAX1 peptide from HTLV-1 | | 分子名称: | Disks large homolog 1, GLU-THR-GLU-VAL, SULFATE ION | | 著者 | Maseko, S, Sogues, A, Volkov, A, Remaut, H, Twizere, J.C. | | 登録日 | 2023-02-21 | | 公開日 | 2023-08-02 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Identification of small molecule antivirals against HTLV-1 by targeting the hDLG1-Tax-1 protein-protein interaction.
Antiviral Res., 217, 2023
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4UEX
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8CRH
 | | Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil | | 分子名称: | 5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Kirkman, T.J, Dias, M.V.B. | | 登録日 | 2023-03-08 | | 公開日 | 2023-08-02 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris.
Acta Crystallogr D Struct Biol, 79, 2023
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8C0K
 | | fragment-linked stabilizer for ERa - 14-3-3 interaction (1075302) | | 分子名称: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | | 著者 | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | | 登録日 | 2022-12-17 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
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4UG7
 | | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3,5-bis(2-(6-amino-4-methylpyridin-2-yl)ethyl)benzonitrile | | 分子名称: | 3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... | | 著者 | Holden, J.K, Poulos, T.L. | | 登録日 | 2015-03-22 | | 公開日 | 2015-06-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
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4UGH
 | | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1,N2- dimethylethane-1,2-diamine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine, ... | | 著者 | Holden, J.K, Poulos, T.L. | | 登録日 | 2015-03-22 | | 公開日 | 2015-06-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.994 Å) | | 主引用文献 | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
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8C04
 | | Co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ354) | | 分子名称: | 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ... | | 著者 | Visser, E.J, Sijbesma, E, Ottmann, C. | | 登録日 | 2022-12-15 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
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6DV9
 | | Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF sigma factor L) containing 5nt RNA with 4nt spacer | | 分子名称: | DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*TP*CP*AP*GP*AP*GP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | | 著者 | Lin, W, Das, K, Feng, Y, Ebright, R.H. | | 登録日 | 2018-06-23 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Structural basis of ECF-sigma-factor-dependent transcription initiation.
Nat Commun, 10, 2019
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4UFN
 | | Laboratory evolved variant R-C1B1 of potato epoxide hydrolase StEH1 | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, EPOXIDE HYDROLASE | | 著者 | Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. | | 登録日 | 2015-03-17 | | 公開日 | 2016-04-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Conformational Diversity and Enantioconvergence in Potato Epoxide Hydrolase 1.
Org.Biomol.Chem., 14, 2016
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4UG9
 | | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-((4-(3-aminopropyl)benzene-1,3-diyl)diethane-2,1-diyl)bis(4- methylpyridin-2-amine) | | 分子名称: | 6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), CHLORIDE ION, GLYCEROL, ... | | 著者 | Holden, J.K, Poulos, T.L. | | 登録日 | 2015-03-22 | | 公開日 | 2015-06-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.841 Å) | | 主引用文献 | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
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6DVS
 | | Crystal structure of Pseudomonas stutzeri D-phenylglycine aminotransferase | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | 著者 | Couture, J.F, Chica, R. | | 登録日 | 2018-06-25 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.821 Å) | | 主引用文献 | Structural Determinants of the Stereoinverting Activity of Pseudomonas stutzeri d-Phenylglycine Aminotransferase.
Biochemistry, 57, 2018
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4UGG
 | | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl) ethyl)-4-methylpyridin-2-amine | | 分子名称: | (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... | | 著者 | Holden, J.K, Poulos, T.L. | | 登録日 | 2015-03-22 | | 公開日 | 2015-06-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.356 Å) | | 主引用文献 | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
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4UGB
 | | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(((5-(((2-(3-fluorophenyl)ethyl)amino)methyl)pyridin-3-yl)oxy) methyl)-4-methylpyridin-2-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, CHLORIDE ION, ... | | 著者 | Holden, J.K, Poulos, T.L. | | 登録日 | 2015-03-22 | | 公開日 | 2015-06-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.912 Å) | | 主引用文献 | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
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8BYZ
 | | fragment-linked stabilizer for ERa - 14-3-3 interaction (AZ210) | | 分子名称: | 14-3-3 protein sigma, 4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ... | | 著者 | Visser, E.J, Sijbesma, E, Ottmann, C. | | 登録日 | 2022-12-14 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
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