8IME
 
 | | Human cGAS catalytic domain bound with baicalin | | 分子名称: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Cyclic GMP-AMP synthase, ZINC ION | | 著者 | Zhao, W.F, Xu, Y.C. | | 登録日 | 2023-03-06 | | 公開日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | Discovery of novel cGAS inhibitors based on natural flavonoids.
Bioorg.Chem., 140, 2023
|
|
8IMG
 | | Human cGAS catalytic domain bound with C20 | | 分子名称: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid, Cyclic GMP-AMP synthase, ZINC ION | | 著者 | Zhao, W.F, Li, J.M, Xu, Y.C. | | 登録日 | 2023-03-06 | | 公開日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of novel cGAS inhibitors based on natural flavonoids.
Bioorg.Chem., 140, 2023
|
|
6IDP
 | | Crystal structure of Vibrio cholerae MATE transporter VcmN in the straight form | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MATE family efflux transporter | | 著者 | Kusakizako, T, Claxton, D.P, Tanaka, Y, Maturana, A.D, Kuroda, T, Ishitani, R, Mchaourab, H.S, Nureki, O. | | 登録日 | 2018-09-11 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.205 Å) | | 主引用文献 | Structural Basis of H+-Dependent Conformational Change in a Bacterial MATE Transporter.
Structure, 27, 2019
|
|
6IDR
 | | Crystal structure of Vibrio cholerae MATE transporter VcmN in the bent form | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MATE family efflux transporter | | 著者 | Kusakizako, T, Claxton, D.P, Tanaka, Y, Maturana, A.D, Kuroda, T, Ishitani, R, Mchaourab, H.S, Nureki, O. | | 登録日 | 2018-09-11 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | | 主引用文献 | Structural Basis of H+-Dependent Conformational Change in a Bacterial MATE Transporter.
Structure, 27, 2019
|
|
8CHO
 | |
6J79
 | |
8J6K
 | | Crystal structure of pro-interleukin-18 and caspase-4 complex | | 分子名称: | Arginine ADP-riboxanase OspC3, Caspase-4 subunit p10, Caspase-4 subunit p20, ... | | 著者 | Sun, Q, Hou, Y.J, Ding, J. | | 登録日 | 2023-04-26 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | | 主引用文献 | Recognition and maturation of IL-18 by caspase-4 noncanonical inflammasome.
Nature, 624, 2023
|
|
6J7A
 | | Fusion protein of heme oxygenase-1 and NADPH cytochrome P450 reductase (17aa) | | 分子名称: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Heme oxygenase 1,NADPH--cytochrome P450 reductase, ... | | 著者 | Sugishima, M, Sato, H, Wada, K, Yamamoto, K. | | 登録日 | 2019-01-17 | | 公開日 | 2019-04-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.269 Å) | | 主引用文献 | Crystal structure of a NADPH-cytochrome P450 oxidoreductase (CYPOR) and heme oxygenase 1 fusion protein implies a conformational change in CYPOR upon NADPH/NADP+binding.
Febs Lett., 593, 2019
|
|
7BUM
 | | mcGAS bound with pGpA | | 分子名称: | ADENOSINE MONOPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-MONOPHOSPHATE, ... | | 著者 | Wang, B, Su, X.D. | | 登録日 | 2020-04-07 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (3.047 Å) | | 主引用文献 | Mn2+Directly Activates cGAS and Structural Analysis Suggests Mn2+Induces a Noncanonical Catalytic Synthesis of 2'3'-cGAMP.
Cell Rep, 32, 2020
|
|
6J7I
 | | Fusion protein of heme oxygenase-1 and NADPH cytochrome P450 reductase (15aa) | | 分子名称: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Heme oxygenase 1,NADPH--cytochrome P450 reductase, ... | | 著者 | Sugishima, M, Sato, H, Wada, K, Yamamoto, K. | | 登録日 | 2019-01-18 | | 公開日 | 2019-04-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Crystal structure of a NADPH-cytochrome P450 oxidoreductase (CYPOR) and heme oxygenase 1 fusion protein implies a conformational change in CYPOR upon NADPH/NADP+binding.
Febs Lett., 593, 2019
|
|
7C0M
 | | Human cGAS-nucleosome complex | | 分子名称: | Cyclic GMP-AMP synthase, DNA (145-MER), Histone H2A type 1-B/E, ... | | 著者 | Kujirai, T, Zierhut, C, Takizawa, Y, Kim, R, Negishi, L, Uruma, N, Hirai, S, Funabiki, H, Kurumizaka, H. | | 登録日 | 2020-05-01 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Structural basis for the inhibition of cGAS by nucleosomes.
Science, 370, 2020
|
|
7BUQ
 | | mcGAS bound with 23-cGAMP | | 分子名称: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | | 著者 | Wang, B, Su, X.D. | | 登録日 | 2020-04-07 | | 公開日 | 2020-09-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.091 Å) | | 主引用文献 | Mn2+Directly Activates cGAS and Structural Analysis Suggests Mn2+Induces a Noncanonical Catalytic Synthesis of 2'3'-cGAMP.
Cell Rep, 32, 2020
|
|
6JO7
 | | Crystal structure of mouse MXRA8 | | 分子名称: | Matrix remodeling-associated protein 8 | | 著者 | Song, H, Zhao, Z, Qi, J, Gao, F, Gao, G.F. | | 登録日 | 2019-03-20 | | 公開日 | 2019-05-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein.
Cell, 177, 2019
|
|
7P01
 | | Structure of the maltase BaAG2 from Blastobotrys adeninivorans in complex with acarbose | | 分子名称: | 1-methylpyrrolidin-2-one, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, BaAG2, ... | | 著者 | Ernits, K, Visnapuu, T, Persson, K. | | 登録日 | 2021-06-29 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Structural Insight into a Yeast Maltase-The Ba AG2 from Blastobotrys adeninivorans with Transglycosylating Activity.
J Fungi (Basel), 7, 2021
|
|
7P07
 | | Structure of the maltase BaAG2 from Blastobotrys adeninivorans in complex with glucose | | 分子名称: | 1-methylpyrrolidin-2-one, BaAG2, CALCIUM ION, ... | | 著者 | Ernits, K, Visnapuu, T, Persson, K. | | 登録日 | 2021-06-29 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Structural Insight into a Yeast Maltase-The Ba AG2 from Blastobotrys adeninivorans with Transglycosylating Activity.
J Fungi (Basel), 7, 2021
|
|
8GYO
 | | Inner channel lipids regulated gating mechanism of human pannexins. | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Digitonin, ... | | 著者 | Cong, Y, Jin, X, Kong, F, Yan, C. | | 登録日 | 2022-09-23 | | 公開日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Inner channel lipids regulated gating mechanism of human pannexins.
To Be Published
|
|
8GYQ
 | |
6H8M
 | |
8PPG
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4,6-tetrakisphosphate/ADP/Mn after reaction | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
|
|
8PPE
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate/ADP/Mn | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate, GLYCEROL, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
|
|
8PPB
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-3-deoxy-myo-inositol 1,4,6-trisphosphate/ATP/Mn | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, D-3-deoxy-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
|
|
8PP9
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with scyllo-inositol 1,2,3,5-tetrakisphosphate/ADP/Mn | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
|
|
8PPC
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-chiro-inositol 2,3,5-trisphosphate/ATP/Mn | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, L-chiro-inositol 2,3,5-trisphosphate, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
|
|
8PPA
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-myo-inositol 1,4,6-trisphosphate/AMP-PNP/Mn | | 分子名称: | D-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
|
|
8PP8
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-scyllo-inositol 1,2,4-trisphosphate/AMP-PNP/Mn | | 分子名称: | Inositol-trisphosphate 3-kinase A, L-scyllo-inositol 1,2,4-trisphosphate, MANGANESE (II) ION, ... | | 著者 | Marquez-Monino, M.A, Gonzalez, B. | | 登録日 | 2023-07-07 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
|
|
