6D71
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![BU of 6d71 by Molmil](/molmil-images/mine/6d71) | Crystal Structure of the Human Miro1 N-terminal GTPase bound to GTP | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 1 | 著者 | Smith, K.P, Focia, P.J, Rice, S.E, Freymann, D.M. | 登録日 | 2018-04-23 | 公開日 | 2019-10-09 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.7180779 Å) | 主引用文献 | Insight into human Miro1/2 domain organization based on the structure of its N-terminal GTPase. J.Struct.Biol., 212, 2020
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7CML
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![BU of 7cml by Molmil](/molmil-images/mine/7cml) | The Crystal Structure of human JNK2 from Biortus. | 分子名称: | Mitogen-activated protein kinase 9 | 著者 | Wang, F, Lin, D, Cheng, W, Miao, Q, Huang, Y, Shang, H. | 登録日 | 2020-07-28 | 公開日 | 2020-08-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | The Crystal Structure of human JNK2 from Biortus. To Be Published
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5YTO
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5YOK
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![BU of 5yok by Molmil](/molmil-images/mine/5yok) | Structure of HIV-1 Protease in Complex with Inhibitor KNI-1657 | 分子名称: | (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, HIV-1 PROTEASE | 著者 | Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y. | 登録日 | 2017-10-29 | 公開日 | 2018-07-18 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | 主引用文献 | Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine. J. Med. Chem., 61, 2018
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6JVX
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![BU of 6jvx by Molmil](/molmil-images/mine/6jvx) | Crystal structure of RBM38 in complex with RNA | 分子名称: | RNA (5'-R(*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*G)-3'), RNA-binding protein 38, SULFATE ION | 著者 | Qian, K, Li, M, Wang, J, Zhang, M, Wang, M. | 登録日 | 2019-04-17 | 公開日 | 2020-01-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | 主引用文献 | Structural basis for mRNA recognition by human RBM38. Biochem.J., 477, 2020
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6JYP
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![BU of 6jyp by Molmil](/molmil-images/mine/6jyp) | Crystal structure of uPA_H99Y in complex with 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide | 分子名称: | 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide, SULFATE ION, Urokinase-type plasminogen activator | 著者 | Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M. | 登録日 | 2019-04-27 | 公開日 | 2020-05-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | uPA-HMA To Be Published
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4OBD
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5V8G
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![BU of 5v8g by Molmil](/molmil-images/mine/5v8g) | Pekin duck lysozyme isoform I (DEL-I) | 分子名称: | CHLORIDE ION, THIOCYANATE ION, lysozyme isoform I | 著者 | Langley, D.B, Christ, D. | 登録日 | 2017-03-22 | 公開日 | 2017-11-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structural basis of antigen recognition: crystal structure of duck egg lysozyme. Acta Crystallogr D Struct Biol, 73, 2017
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5UOV
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![BU of 5uov by Molmil](/molmil-images/mine/5uov) | HIV-1 wild Type protease with GRL-1118A , an isophthalamide-derived P2-P3 ligand with the sulfonamide isostere as the P2' group | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2017-02-01 | 公開日 | 2017-05-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex. Bioorg. Med. Chem., 25, 2017
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4OXB
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6DAC
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![BU of 6dac by Molmil](/molmil-images/mine/6dac) | Human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 著者 | Sevrioukova, I.F. | 登録日 | 2018-05-01 | 公開日 | 2019-04-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
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7U2Q
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8FXQ
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![BU of 8fxq by Molmil](/molmil-images/mine/8fxq) | The Crystal Sturucture of Rhizopuspepsin with a bound modified peptide inhibitor generated by de novo drug design. | 分子名称: | ALA-CYS-VAL-LYS, CYCLOHEXANE, Rhizopuspepsin, ... | 著者 | Satyshur, K.A, Rich, D.H, Ripka, A.S. | 登録日 | 2023-01-25 | 公開日 | 2023-02-08 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Aspartic protease inhibitors designed from computer-generated templates bind as predicted. Org Lett, 3, 2001
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6K3L
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![BU of 6k3l by Molmil](/molmil-images/mine/6k3l) | Crystal structure of CX-4945 bound Cka1 from C. neoformans | 分子名称: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, CMGC/CK2 protein kinase, SULFATE ION | 著者 | Cho, H.S, Yoo, Y. | 登録日 | 2019-05-20 | 公開日 | 2019-11-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structural analysis of fungal pathogenicity-related casein kinase alpha subunit, Cka1, in the human fungal pathogen Cryptococcus neoformans. Sci Rep, 9, 2019
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7U36
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![BU of 7u36 by Molmil](/molmil-images/mine/7u36) | Crystal structure of human GSK3B in complex with ARN1484 | 分子名称: | (3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, Glycogen synthase kinase-3 beta | 著者 | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | 登録日 | 2022-02-25 | 公開日 | 2022-04-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
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5VBE
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![BU of 5vbe by Molmil](/molmil-images/mine/5vbe) | Crystal Structure of Small Molecule Disulfide 2C07 Bound to H-Ras M72C GDP | 分子名称: | 1-(4-methoxyphenyl)-N-(3-sulfanylpropyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Gentile, D.R, Jenkins, M.L, Moss, S.M, Burke, J.E, Shokat, K.M. | 登録日 | 2017-03-29 | 公開日 | 2017-10-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Ras Binder Induces a Modified Switch-II Pocket in GTP and GDP States. Cell Chem Biol, 24, 2017
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5VBU
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7U2Z
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![BU of 7u2z by Molmil](/molmil-images/mine/7u2z) | Crystal structure of human GSK3B in complex with G12 | 分子名称: | (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, Glycogen synthase kinase-3 beta | 著者 | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | 登録日 | 2022-02-25 | 公開日 | 2022-04-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
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6JVC
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![BU of 6jvc by Molmil](/molmil-images/mine/6jvc) | Structure of the Cobalt Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | 分子名称: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | 著者 | Stanfield, J.K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | 登録日 | 2019-04-16 | 公開日 | 2020-03-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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7U2T
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6D6G
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![BU of 6d6g by Molmil](/molmil-images/mine/6d6g) | Triclinic lysozyme (295 K) in the presence of 47% MPD | 分子名称: | Lysozyme C, NITRATE ION | 著者 | Juers, D.H. | 登録日 | 2018-04-20 | 公開日 | 2018-09-19 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Acta Crystallogr D Struct Biol, 74, 2018
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7U31
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![BU of 7u31 by Molmil](/molmil-images/mine/7u31) | Crystal structure of human GSK3B in complex with G5 | 分子名称: | 5-(4-fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine, CHLORIDE ION, Glycogen synthase kinase-3 beta | 著者 | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | 登録日 | 2022-02-25 | 公開日 | 2022-04-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
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5UIC
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6DA3
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![BU of 6da3 by Molmil](/molmil-images/mine/6da3) | Human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 著者 | Sevrioukova, I.F. | 登録日 | 2018-05-01 | 公開日 | 2019-04-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
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7U33
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![BU of 7u33 by Molmil](/molmil-images/mine/7u33) | Crystal structure of human GSK3B in complex with ARN9133 | 分子名称: | 3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]-N,N-dimethylazetidine-1-sulfonamide, CHLORIDE ION, Glycogen synthase kinase-3 beta | 著者 | Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A. | 登録日 | 2022-02-25 | 公開日 | 2022-04-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays. Int J Mol Sci, 23, 2022
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