3MVM
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![BU of 3mvm by Molmil](/molmil-images/mine/3mvm) | P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7V | 分子名称: | 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | 著者 | Sack, J.S. | 登録日 | 2010-05-04 | 公開日 | 2010-10-13 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38? Map Kinase Inhibitor for the Treatment of Inflammatory Diseases J.Med.Chem., 53, 2010
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3MVL
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![BU of 3mvl by Molmil](/molmil-images/mine/3mvl) | P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K | 分子名称: | 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | 著者 | Sack, J.S. | 登録日 | 2010-05-04 | 公開日 | 2010-10-13 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38 Map Kinase Inhibitor for the Treatment of Inflammatory Diseases J.Med.Chem., 53, 2010
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2HTE
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![BU of 2hte by Molmil](/molmil-images/mine/2hte) | The crystal structure of spermidine synthase from p. falciparum in complex with 5'-methylthioadenosine | 分子名称: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, SULFATE ION, ... | 著者 | Qiu, W, Dong, A, Ren, H, Wu, H, Wasney, G, Vedadi, M, Lew, J, Kozieradski, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | 登録日 | 2006-07-25 | 公開日 | 2006-08-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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8AYR
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![BU of 8ayr by Molmil](/molmil-images/mine/8ayr) | Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota | 分子名称: | CALCIUM ION, Coagulation factor 5/8 type domain protein | 著者 | Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P. | 登録日 | 2022-09-02 | 公開日 | 2023-03-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria. Nat Commun, 14, 2023
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8AXT
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![BU of 8axt by Molmil](/molmil-images/mine/8axt) | Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota | 分子名称: | CALCIUM ION, CHLORIDE ION, Sialidase domain-containing protein | 著者 | Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P. | 登録日 | 2022-08-31 | 公開日 | 2023-03-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria. Nat Commun, 14, 2023
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8AXS
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![BU of 8axs by Molmil](/molmil-images/mine/8axs) | Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota | 分子名称: | 1,2-ETHANEDIOL, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, ... | 著者 | Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P. | 登録日 | 2022-08-31 | 公開日 | 2023-03-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria. Nat Commun, 14, 2023
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8AXI
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![BU of 8axi by Molmil](/molmil-images/mine/8axi) | Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota | 分子名称: | 1,2-ETHANEDIOL, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, ... | 著者 | Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P. | 登録日 | 2022-08-31 | 公開日 | 2023-03-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria. Nat Commun, 14, 2023
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5YGI
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![BU of 5ygi by Molmil](/molmil-images/mine/5ygi) | |
8YJY
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![BU of 8yjy by Molmil](/molmil-images/mine/8yjy) | |
1C8G
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![BU of 1c8g by Molmil](/molmil-images/mine/1c8g) | |
1C8D
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![BU of 1c8d by Molmil](/molmil-images/mine/1c8d) | |
1C8H
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![BU of 1c8h by Molmil](/molmil-images/mine/1c8h) | |
7F3B
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![BU of 7f3b by Molmil](/molmil-images/mine/7f3b) | cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | 分子名称: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | 著者 | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | 登録日 | 2021-06-16 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates. Eur.J.Med.Chem., 228, 2022
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8DYG
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![BU of 8dyg by Molmil](/molmil-images/mine/8dyg) | IL17A homodimer bound to Compound 7 | 分子名称: | (5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid, Interleukin-17A | 著者 | Argiriadi, M.A, Goedken, E.R. | 登録日 | 2022-08-04 | 公開日 | 2022-09-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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8DYH
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![BU of 8dyh by Molmil](/molmil-images/mine/8dyh) | IL17A homodimer bound to Compound 6 | 分子名称: | (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A | 著者 | Argiriadi, M.A, Goedken, E.R. | 登録日 | 2022-08-04 | 公開日 | 2022-09-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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8DYI
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![BU of 8dyi by Molmil](/molmil-images/mine/8dyi) | IL17A homodimer bound to Compound 5 | 分子名称: | (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine, Interleukin-17A | 著者 | Argiriadi, M.A, Goedken, E.R. | 登録日 | 2022-08-04 | 公開日 | 2022-09-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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8DYF
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![BU of 8dyf by Molmil](/molmil-images/mine/8dyf) | IL17A homodimer bound to Compound 10 | 分子名称: | (5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid, Interleukin-17A | 著者 | Argiriadi, M.A, Goedken, E.R. | 登録日 | 2022-08-04 | 公開日 | 2022-09-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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6IRF
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![BU of 6irf by Molmil](/molmil-images/mine/6irf) | Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class I | 分子名称: | Glutamate receptor ionotropic, NMDA 1, NMDA 2A | 著者 | Zhang, J, Chang, S, Zhang, X, Zhu, S. | 登録日 | 2018-11-12 | 公開日 | 2019-01-16 | 最終更新日 | 2019-06-05 | 実験手法 | ELECTRON MICROSCOPY (5.1 Å) | 主引用文献 | Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors Cell Rep, 25, 2018
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6IRH
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![BU of 6irh by Molmil](/molmil-images/mine/6irh) | Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class III | 分子名称: | Glutamate receptor ionotropic, NMDA 1, NMDA 2A | 著者 | Zhang, J, Chang, S, Zhang, X, Zhu, S. | 登録日 | 2018-11-12 | 公開日 | 2019-01-16 | 最終更新日 | 2019-06-05 | 実験手法 | ELECTRON MICROSCOPY (7.8 Å) | 主引用文献 | Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors Cell Rep, 25, 2018
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8USS
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![BU of 8uss by Molmil](/molmil-images/mine/8uss) | IL17A complexed to Compound 7 | 分子名称: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A | 著者 | Argiriadi, M.A, Ramos, A.L. | 登録日 | 2023-10-29 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
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8USR
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![BU of 8usr by Molmil](/molmil-images/mine/8usr) | IL17A homodimer complexed to Compound 23 | 分子名称: | Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | 著者 | Argiriadi, M.A, Ramos, A.L. | 登録日 | 2023-10-29 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
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7F9O
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![BU of 7f9o by Molmil](/molmil-images/mine/7f9o) | PSI-NDH supercomplex of Barley | 分子名称: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | 著者 | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Shen, J.R, Zhang, X. | 登録日 | 2021-07-04 | 公開日 | 2021-12-22 | 最終更新日 | 2022-02-09 | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | 主引用文献 | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare. Nature, 601, 2022
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4IKG
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![BU of 4ikg by Molmil](/molmil-images/mine/4ikg) | |
1FPV
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![BU of 1fpv by Molmil](/molmil-images/mine/1fpv) | |
6W6D
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![BU of 6w6d by Molmil](/molmil-images/mine/6w6d) | Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with SGC6870 inhibitor | 分子名称: | (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Halabelian, L, Zeng, H, Dong, A, Jin, J, Shen, Y, Kaniskan, H.U, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2020-03-16 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6. J.Med.Chem., 64, 2021
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