8WKJ
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8WOU
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6NUQ
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![BU of 6nuq by Molmil](/molmil-images/mine/6nuq) | Stat3 Core in complex with compound SI109 | 分子名称: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2019-02-01 | 公開日 | 2019-12-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo. Cancer Cell, 36, 2019
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6U9K
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![BU of 6u9k by Molmil](/molmil-images/mine/6u9k) | MLL1 SET N3861I/Q3867L bound to inhibitor 18 (TC-5153) | 分子名称: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2019-09-09 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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7PB9
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![BU of 7pb9 by Molmil](/molmil-images/mine/7pb9) | Crystal structure of tandem WH domains of Vps25 from Odinarchaeota | 分子名称: | Tandem WH domains of Vps25 | 著者 | Salzer, R, Bellini, D, Papatziamou, D, Robinson, N.P, Lowe, J. | 登録日 | 2021-08-01 | 公開日 | 2022-06-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Asgard archaea shed light on the evolutionary origins of the eukaryotic ubiquitin-ESCRT machinery. Nat Commun, 13, 2022
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6NJS
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![BU of 6njs by Molmil](/molmil-images/mine/6njs) | Stat3 Core in complex with compound SD36 | 分子名称: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2019-01-04 | 公開日 | 2019-12-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo. Cancer Cell, 36, 2019
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6U9N
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![BU of 6u9n by Molmil](/molmil-images/mine/6u9n) | MLL1 SET N3861I/Q3867L bound to inhibitor 14 (TC-5139) | 分子名称: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2019-09-09 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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6U9R
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![BU of 6u9r by Molmil](/molmil-images/mine/6u9r) | MLL1 SET N3861I/Q3867L bound to inhibitor 12 (TC-5140) | 分子名称: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2019-09-09 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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6IFO
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6U9M
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![BU of 6u9m by Molmil](/molmil-images/mine/6u9m) | MLL1 SET N3861I/Q3867L bound to inhibitor 16 (TC-5109) | 分子名称: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2019-09-09 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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7ZIH
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![BU of 7zih by Molmil](/molmil-images/mine/7zih) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor AG-01-128 | 分子名称: | 8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... | 著者 | Schuetz, A, Gogolin, A, Pfeifer, J, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | 登録日 | 2022-04-08 | 公開日 | 2022-09-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.46890831 Å) | 主引用文献 | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 65, 2022
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7ZIK
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7ZII
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![BU of 7zii by Molmil](/molmil-images/mine/7zii) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-193 | 分子名称: | 8-(5~{H}-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-7-(phenylmethyl)-3-propyl-purine-2,6-dione, FE (III) ION, GLYCEROL, ... | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | 登録日 | 2022-04-08 | 公開日 | 2022-09-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6280005 Å) | 主引用文献 | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 65, 2022
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7ZIJ
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![BU of 7zij by Molmil](/molmil-images/mine/7zij) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-080 | 分子名称: | 8-(1~{H}-benzimidazol-2-ylmethyl)-3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | 登録日 | 2022-04-08 | 公開日 | 2022-09-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.94678366 Å) | 主引用文献 | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 65, 2022
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7ZIG
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![BU of 7zig by Molmil](/molmil-images/mine/7zig) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-060 | 分子名称: | (2~{R})-2-azanyl-5-[[2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl]-1~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid, FE (III) ION, Tryptophan 5-hydroxylase 1 | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | 登録日 | 2022-04-08 | 公開日 | 2022-09-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.808885 Å) | 主引用文献 | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 65, 2022
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7ZIF
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![BU of 7zif by Molmil](/molmil-images/mine/7zif) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-480 | 分子名称: | (2R)-2-azanyl-5-[[2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-3H-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid, FE (III) ION, GLYCEROL, ... | 著者 | Schuetz, A, Ziebart, N, Weise, M, Mallow, K, Pfeifer, J, Nazare, M, Specker, E, Heinemann, U. | 登録日 | 2022-04-08 | 公開日 | 2022-09-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.86859715 Å) | 主引用文献 | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 65, 2022
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2R6Y
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![BU of 2r6y by Molmil](/molmil-images/mine/2r6y) | Estrogen receptor alpha ligand-binding domain in complex with a SERM | 分子名称: | Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone | 著者 | Wang, Y. | 登録日 | 2007-09-06 | 公開日 | 2008-04-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method. Proc.Natl.Acad.Sci.Usa, 105, 2008
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5NGD
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![BU of 5ngd by Molmil](/molmil-images/mine/5ngd) | Crystal structure of the V325G mutant of the bacteriophage G20C portal protein | 分子名称: | Portal protein | 著者 | Pascoa, T, Jenkins, H.T, Chechik, M, Greive, S.J, Antson, A.A. | 登録日 | 2017-03-17 | 公開日 | 2017-03-29 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Porphyrin-Assisted Docking of a Thermophage Portal Protein into Lipid Bilayers: Nanopore Engineering and Characterization Acs Nano, 11, 2017
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8X6B
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![BU of 8x6b by Molmil](/molmil-images/mine/8x6b) | Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG | 著者 | Hu, S.T, Han, P, Wang, H, Qi, J.X. | 登録日 | 2023-11-21 | 公開日 | 2024-04-24 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2. Structure, 32, 2024
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6K2O
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6K2N
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5ED9
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![BU of 5ed9 by Molmil](/molmil-images/mine/5ed9) | Crystal structure of CC1 of mouse SUN2 | 分子名称: | SUN domain-containing protein 2 | 著者 | Nie, S, Ke, H.M, Gao, F, Ren, J.Q, Wang, M.Z, Huo, L, Gong, W.M, Feng, W. | 登録日 | 2015-10-21 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.009 Å) | 主引用文献 | Coiled-Coil Domains of SUN Proteins as Intrinsic Dynamic Regulators Structure, 24, 2016
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8HJE
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![BU of 8hje by Molmil](/molmil-images/mine/8hje) | Vismodegib binds to the catalytical domain of human Ubiquitin-Specific Protease 28 | 分子名称: | 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, Ubiquitin carboxyl-terminal hydrolase 28 | 著者 | Shi, L, Wang, H, Xu, Z, Xiong, B, Zhang, N. | 登録日 | 2022-11-23 | 公開日 | 2023-05-03 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structure-based discovery of potent USP28 inhibitors derived from Vismodegib. Eur.J.Med.Chem., 254, 2023
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3S5J
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2QDY
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![BU of 2qdy by Molmil](/molmil-images/mine/2qdy) | Crystal Structure of Fe-type NHase from Rhodococcus erythropolis AJ270 | 分子名称: | 2-METHYLPROPAN-1-AMINE, CHLORIDE ION, FE (III) ION, ... | 著者 | Song, L, Shi, J, Xue, Z, Wang, M.-X, Qian, S. | 登録日 | 2007-06-22 | 公開日 | 2008-05-13 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | High resolution X-ray molecular structure of the nitrile hydratase from Rhodococcus erythropolis AJ270 reveals posttranslational oxidation of two cysteines into sulfinic acids and a novel biocatalytic nitrile hydration mechanism Biochem.Biophys.Res.Commun., 362, 2007
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