8IME
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![BU of 8ime by Molmil](/molmil-images/mine/8ime) | Human cGAS catalytic domain bound with baicalin | Descriptor: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xu, Y.C. | Deposit date: | 2023-03-06 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids. Bioorg.Chem., 140, 2023
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8IMG
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![BU of 8img by Molmil](/molmil-images/mine/8img) | Human cGAS catalytic domain bound with C20 | Descriptor: | 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 | Authors: | Zhao, W.F, Li, J.M, Xu, Y.C. | Deposit date: | 2023-03-06 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids. Bioorg.Chem., 140, 2023
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6IDP
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![BU of 6idp by Molmil](/molmil-images/mine/6idp) | Crystal structure of Vibrio cholerae MATE transporter VcmN in the straight form | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MATE family efflux transporter | Authors: | Kusakizako, T, Claxton, D.P, Tanaka, Y, Maturana, A.D, Kuroda, T, Ishitani, R, Mchaourab, H.S, Nureki, O. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.205 Å) | Cite: | Structural Basis of H+-Dependent Conformational Change in a Bacterial MATE Transporter. Structure, 27, 2019
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6IDR
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![BU of 6idr by Molmil](/molmil-images/mine/6idr) | Crystal structure of Vibrio cholerae MATE transporter VcmN in the bent form | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MATE family efflux transporter | Authors: | Kusakizako, T, Claxton, D.P, Tanaka, Y, Maturana, A.D, Kuroda, T, Ishitani, R, Mchaourab, H.S, Nureki, O. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structural Basis of H+-Dependent Conformational Change in a Bacterial MATE Transporter. Structure, 27, 2019
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8CHO
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6J79
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![BU of 6j79 by Molmil](/molmil-images/mine/6j79) | Fusion protein of heme oxygenase-1 and NADPH-cytochrome P450 reductase (13aa) | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Heme oxygenase 1,NADPH--cytochrome P450 reductase, ... | Authors: | Sugishima, M, Wada, K. | Deposit date: | 2019-01-17 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.331 Å) | Cite: | 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
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8J6K
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![BU of 8j6k by Molmil](/molmil-images/mine/8j6k) | Crystal structure of pro-interleukin-18 and caspase-4 complex | Descriptor: | Arginine ADP-riboxanase OspC3, Caspase-4 subunit p10, Caspase-4 subunit p20, ... | Authors: | Sun, Q, Hou, Y.J, Ding, J. | Deposit date: | 2023-04-26 | Release date: | 2023-11-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Recognition and maturation of IL-18 by caspase-4 noncanonical inflammasome. Nature, 624, 2023
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6J7A
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![BU of 6j7a by Molmil](/molmil-images/mine/6j7a) | Fusion protein of heme oxygenase-1 and NADPH cytochrome P450 reductase (17aa) | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Heme oxygenase 1,NADPH--cytochrome P450 reductase, ... | Authors: | Sugishima, M, Sato, H, Wada, K, Yamamoto, K. | Deposit date: | 2019-01-17 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.269 Å) | Cite: | 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
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7BUM
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![BU of 7bum by Molmil](/molmil-images/mine/7bum) | mcGAS bound with pGpA | Descriptor: | ADENOSINE MONOPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-MONOPHOSPHATE, ... | Authors: | Wang, B, Su, X.D. | Deposit date: | 2020-04-07 | Release date: | 2020-09-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.047 Å) | Cite: | Mn2+Directly Activates cGAS and Structural Analysis Suggests Mn2+Induces a Noncanonical Catalytic Synthesis of 2'3'-cGAMP. Cell Rep, 32, 2020
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6J7I
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![BU of 6j7i by Molmil](/molmil-images/mine/6j7i) | Fusion protein of heme oxygenase-1 and NADPH cytochrome P450 reductase (15aa) | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Heme oxygenase 1,NADPH--cytochrome P450 reductase, ... | Authors: | Sugishima, M, Sato, H, Wada, K, Yamamoto, K. | Deposit date: | 2019-01-18 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | 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
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7C0M
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![BU of 7c0m by Molmil](/molmil-images/mine/7c0m) | Human cGAS-nucleosome complex | Descriptor: | Cyclic GMP-AMP synthase, DNA (145-MER), Histone H2A type 1-B/E, ... | Authors: | Kujirai, T, Zierhut, C, Takizawa, Y, Kim, R, Negishi, L, Uruma, N, Hirai, S, Funabiki, H, Kurumizaka, H. | Deposit date: | 2020-05-01 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for the inhibition of cGAS by nucleosomes. Science, 370, 2020
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7BUQ
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![BU of 7buq by Molmil](/molmil-images/mine/7buq) | mcGAS bound with 23-cGAMP | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | Authors: | Wang, B, Su, X.D. | Deposit date: | 2020-04-07 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.091 Å) | Cite: | Mn2+Directly Activates cGAS and Structural Analysis Suggests Mn2+Induces a Noncanonical Catalytic Synthesis of 2'3'-cGAMP. Cell Rep, 32, 2020
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6JO7
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![BU of 6jo7 by Molmil](/molmil-images/mine/6jo7) | Crystal structure of mouse MXRA8 | Descriptor: | Matrix remodeling-associated protein 8 | Authors: | Song, H, Zhao, Z, Qi, J, Gao, F, Gao, G.F. | Deposit date: | 2019-03-20 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein. Cell, 177, 2019
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7P01
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![BU of 7p01 by Molmil](/molmil-images/mine/7p01) | Structure of the maltase BaAG2 from Blastobotrys adeninivorans in complex with acarbose | Descriptor: | 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, ... | Authors: | Ernits, K, Visnapuu, T, Persson, K. | Deposit date: | 2021-06-29 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural Insight into a Yeast Maltase-The Ba AG2 from Blastobotrys adeninivorans with Transglycosylating Activity. J Fungi (Basel), 7, 2021
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7P07
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![BU of 7p07 by Molmil](/molmil-images/mine/7p07) | Structure of the maltase BaAG2 from Blastobotrys adeninivorans in complex with glucose | Descriptor: | 1-methylpyrrolidin-2-one, BaAG2, CALCIUM ION, ... | Authors: | Ernits, K, Visnapuu, T, Persson, K. | Deposit date: | 2021-06-29 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural Insight into a Yeast Maltase-The Ba AG2 from Blastobotrys adeninivorans with Transglycosylating Activity. J Fungi (Basel), 7, 2021
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8GYO
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![BU of 8gyo by Molmil](/molmil-images/mine/8gyo) | Inner channel lipids regulated gating mechanism of human pannexins. | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Digitonin, ... | Authors: | Cong, Y, Jin, X, Kong, F, Yan, C. | Deposit date: | 2022-09-23 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Inner channel lipids regulated gating mechanism of human pannexins. To Be Published
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8GYQ
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![BU of 8gyq by Molmil](/molmil-images/mine/8gyq) | |
6H8M
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![BU of 6h8m by Molmil](/molmil-images/mine/6h8m) | |
8PPG
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![BU of 8ppg by Molmil](/molmil-images/mine/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 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PPE
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![BU of 8ppe by Molmil](/molmil-images/mine/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 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate, GLYCEROL, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PPB
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![BU of 8ppb by Molmil](/molmil-images/mine/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 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-3-deoxy-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PP9
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![BU of 8pp9 by Molmil](/molmil-images/mine/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 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PPC
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![BU of 8ppc by Molmil](/molmil-images/mine/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 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, L-chiro-inositol 2,3,5-trisphosphate, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PPA
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![BU of 8ppa by Molmil](/molmil-images/mine/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 | Descriptor: | D-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PP8
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![BU of 8pp8 by Molmil](/molmil-images/mine/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 | Descriptor: | Inositol-trisphosphate 3-kinase A, L-scyllo-inositol 1,2,4-trisphosphate, MANGANESE (II) ION, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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