7BUJ
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![BU of 7buj by Molmil](/molmil-images/mine/7buj) | mcGAS bound with pppGpG | 分子名称: | Cyclic GMP-AMP synthase, GUANOSINE-5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 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 (2.13 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
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6JFX
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![BU of 6jfx by Molmil](/molmil-images/mine/6jfx) | Crystal structure of Pullulanase from Paenibacillus barengoltzii complex with maltopentaose | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | 著者 | Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q. | 登録日 | 2019-02-12 | 公開日 | 2019-02-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | 主引用文献 | Structural basis of carbohydrate binding in domain C of a type I pullulanase from Paenibacillus barengoltzii. Acta Crystallogr D Struct Biol, 76, 2020
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3O5X
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![BU of 3o5x by Molmil](/molmil-images/mine/3o5x) | Crystal structure of the oncogenic tyrosine phosphatase SHP2 complexed with a salicylic acid-based small molecule inhibitor | 分子名称: | 3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1H-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Zhang, Z.-Y, Zhang, X, He, Y, Liu, S, Yu, Z, Jiang, Z, Yang, Z, Dong, Y, Nabinger, S.C, Wu, L, Gunawan, A.M, Wang, L, Chan, R.J. | 登録日 | 2010-07-28 | 公開日 | 2010-08-11 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Salicylic acid based small molecule inhibitor for the oncogenic Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2). J.Med.Chem., 53, 2010
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4LYR
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![BU of 4lyr by Molmil](/molmil-images/mine/4lyr) | Glycoside Hydrolase Family 5 Mannosidase from Rhizomucor miehei, E301A mutant | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Exo-beta-1,4-mannosidase | 著者 | Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J. | 登録日 | 2013-07-31 | 公開日 | 2014-08-06 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase. Acta Crystallogr.,Sect.D, 70, 2014
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4LYQ
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![BU of 4lyq by Molmil](/molmil-images/mine/4lyq) | Crystal Structure of Glycoside Hydrolase Family 5 Mannosidase from Rhizomucor miehei, E202A mutant | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Exo-beta-1,4-mannosidase, ... | 著者 | Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J. | 登録日 | 2013-07-31 | 公開日 | 2014-08-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase. Acta Crystallogr.,Sect.D, 70, 2014
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3RN5
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![BU of 3rn5 by Molmil](/molmil-images/mine/3rn5) | Structural basis of cytosolic DNA recognition by innate immune receptors | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*TP*CP*AP*AP*AP*GP*AP*GP*AP*GP*AP*AP*AP*GP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*CP*TP*TP*TP*CP*TP*CP*TP*CP*TP*TP*TP*GP*AP*TP*G)-3'), ... | 著者 | Jin, T.C, Xiao, T. | 登録日 | 2011-04-21 | 公開日 | 2012-04-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor. Immunity, 36, 2012
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3RNU
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![BU of 3rnu by Molmil](/molmil-images/mine/3rnu) | Structural Basis of Cytosolic DNA Sensing by Innate Immune Receptors | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*CP*AP*TP*CP*AP*AP*AP*GP*AP*GP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*CP*TP*TP*TP*GP*AP*TP*GP*GP*CP*C)-3'), ... | 著者 | Jin, T.C, Xiao, T. | 登録日 | 2011-04-22 | 公開日 | 2012-04-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | 主引用文献 | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor. Immunity, 36, 2012
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3RN2
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![BU of 3rn2 by Molmil](/molmil-images/mine/3rn2) | Structural Basis of Cytosolic DNA Recognition by Innate Immune Receptors | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*TP*CP*AP*AP*AP*GP*AP*TP*CP*TP*TP*TP*GP*AP*TP*GP*G)-3'), Interferon-inducible protein AIM2 | 著者 | Jin, T.C, Xiao, T. | 登録日 | 2011-04-21 | 公開日 | 2012-04-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor. Immunity, 36, 2012
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3RLN
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![BU of 3rln by Molmil](/molmil-images/mine/3rln) | |
3RLO
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![BU of 3rlo by Molmil](/molmil-images/mine/3rlo) | |
6IJX
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![BU of 6ijx by Molmil](/molmil-images/mine/6ijx) | Crystal Structure of AKR1C1 complexed with meclofenamic acid | 分子名称: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X. | 登録日 | 2018-10-12 | 公開日 | 2019-10-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26, 2018
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7FAR
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![BU of 7far by Molmil](/molmil-images/mine/7far) | Crystal structure of PDE5A in complex with inhibitor L12 | 分子名称: | 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Wu, D, Huang, Y.Y, Luo, H.B. | 登録日 | 2021-07-07 | 公開日 | 2022-05-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.40006471 Å) | 主引用文献 | Free energy perturbation (FEP)-guided scaffold hopping. Acta Pharm Sin B, 12, 2022
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7FAQ
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![BU of 7faq by Molmil](/molmil-images/mine/7faq) | Crystal structure of PDE5A in complex with inhibitor L1 | 分子名称: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ... | 著者 | Wu, D, Huang, Y.Y, Luo, H.B. | 登録日 | 2021-07-07 | 公開日 | 2022-05-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.200136 Å) | 主引用文献 | Free energy perturbation (FEP)-guided scaffold hopping. Acta Pharm Sin B, 12, 2022
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7RMR
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7RMQ
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![BU of 7rmq by Molmil](/molmil-images/mine/7rmq) | Crystal structure of cycloviolacin O2 | 分子名称: | Cycloviolacin O2, D-[I11L]cycloviolacin O2, FORMIC ACID | 著者 | Huang, Y.H, Du, Q. | 登録日 | 2021-07-28 | 公開日 | 2021-09-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Enabling Efficient Folding and High-Resolution Crystallographic Analysis of Bracelet Cyclotides. Molecules, 26, 2021
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7RMS
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5C3U
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![BU of 5c3u by Molmil](/molmil-images/mine/5c3u) | Crystal structure of a fungal L-serine ammonia-lyase from Rhizomucor miehei | 分子名称: | L-serine ammonia-lyase, PYRIDOXAL-5'-PHOSPHATE | 著者 | Zhen, Q, Qiaojuan, Y, Shaoqing, Y, Zhengqiang, J. | 登録日 | 2015-06-17 | 公開日 | 2015-12-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Crystal structure and characterization of a novel l-serine ammonia-lyase from Rhizomucor miehei. Biochem.Biophys.Res.Commun., 466, 2015
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8IBQ
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![BU of 8ibq by Molmil](/molmil-images/mine/8ibq) | Bromodomain and Extra-terminal Domain (BET) BRD4 | 分子名称: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | 著者 | Cao, D, Zhiyan, D, Xiong, B. | 登録日 | 2023-02-10 | 公開日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain. J.Med.Chem., 66, 2023
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8IDH
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![BU of 8idh by Molmil](/molmil-images/mine/8idh) | Bromodomain and Extra-terminal Domain (BET) BRD4 | 分子名称: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | 著者 | Cao, D, Zhiyan, D, Xiong, B. | 登録日 | 2023-02-13 | 公開日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain. J.Med.Chem., 66, 2023
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4LYP
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![BU of 4lyp by Molmil](/molmil-images/mine/4lyp) | Crystal Structure of Glycoside Hydrolase Family 5 Mannosidase from Rhizomucor miehei | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Exo-beta-1,4-mannosidase, GUANIDINE | 著者 | Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J. | 登録日 | 2013-07-31 | 公開日 | 2014-08-06 | 最終更新日 | 2014-11-26 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase. Acta Crystallogr.,Sect.D, 70, 2014
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4NRS
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![BU of 4nrs by Molmil](/molmil-images/mine/4nrs) | Crystal Structure of Glycoside Hydrolase Family 5 Mannosidase (E202A mutant) from Rhizomucor miehei in complex with mannobiose | 分子名称: | Exo-beta-1,4-mannosidase, beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose | 著者 | Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J. | 登録日 | 2013-11-27 | 公開日 | 2014-11-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase. Acta Crystallogr.,Sect.D, 70, 2014
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4NRR
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![BU of 4nrr by Molmil](/molmil-images/mine/4nrr) | Crystal Structure of Glycoside Hydrolase Family 5 Mannosidase (E202A mutant) from Rhizomucor miehei in complex with mannosyl-fructose | 分子名称: | Exo-beta-1,4-mannosidase, beta-D-mannopyranose-(1-4)-beta-D-fructofuranose | 著者 | Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J. | 登録日 | 2013-11-27 | 公開日 | 2014-11-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase. Acta Crystallogr.,Sect.D, 70, 2014
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8TBQ
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8WIU
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![BU of 8wiu by Molmil](/molmil-images/mine/8wiu) | Bromodomain and Extra-terminal Domain (BET) BRD4 | 分子名称: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4 | 著者 | Cao, D, Zhiyan, D, Xiong, B. | 登録日 | 2023-09-25 | 公開日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis. Eur.J.Med.Chem., 265, 2023
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4M58
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![BU of 4m58 by Molmil](/molmil-images/mine/4m58) | Crystal Structure of an transition metal transporter | 分子名称: | Cobalamin biosynthesis protein CbiM, NICKEL (II) ION | 著者 | Yu, Y, Yan, C.Y, Zhang, B, Li, X.L, Gu, J.K. | 登録日 | 2013-08-08 | 公開日 | 2014-03-26 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.21 Å) | 主引用文献 | Planar substrate-binding site dictates the specificity of ECF-type nickel/cobalt transporters Cell Res., 24, 2014
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