5X7D
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![BU of 5x7d by Molmil](/molmil-images/mine/5x7d) | Structure of beta2 adrenoceptor bound to carazolol and an intracellular allosteric antagonist | 分子名称: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Liu, X, Ahn, S, Kahsai, A.W, Meng, K.-C, Latorraca, N.R, Pani, B, Venkatakrishnan, A.J, Masoudi, A, Weis, W.I, Dror, R.O, Chen, X, Lefkowitz, R.J, Kobilka, B.K. | 登録日 | 2017-02-25 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.703 Å) | 主引用文献 | Mechanism of intracellular allosteric beta 2AR antagonist revealed by X-ray crystal structure. Nature, 548, 2017
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2K5J
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![BU of 2k5j by Molmil](/molmil-images/mine/2k5j) | Solution structure of protein yiiF from Shigella flexneri serotype 5b (strain 8401) . Northeast Structural Genomics Consortium target sft1 | 分子名称: | uncharacterized protein yiiF | 著者 | Wu, Y, Singarapu, K, Semesi, A, Yee, A, Bansal, S, Prestegard, J, Arrowsmith, C, Szyperski, T, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2008-06-28 | 公開日 | 2008-08-26 | 最終更新日 | 2024-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of protein yiiF from Shigella flexneri serotype 5b (strain 8401) . Northeast Structural Genomics Consortium target sft1 To be Published
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7AWI
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![BU of 7awi by Molmil](/molmil-images/mine/7awi) | Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-benzyl-1H-indol-4-yl)oxy)ethyl)amino)methyl]piperidine-1-carboxylate | 分子名称: | 2-((1-benzyl-1H-indol-4-yl)oxy)-N-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Goral, I, Wieckowska, A. | 登録日 | 2020-11-08 | 公開日 | 2021-09-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties. Eur.J.Med.Chem., 225, 2021
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7AWG
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![BU of 7awg by Molmil](/molmil-images/mine/7awg) | Crystal structure of human butyrylcholinesterase in complex with (2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)(benzyl)amine | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Wichur, T, Wieckowska, A. | 登録日 | 2020-11-08 | 公開日 | 2021-09-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties. Eur.J.Med.Chem., 225, 2021
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7AWH
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![BU of 7awh by Molmil](/molmil-images/mine/7awh) | Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)methyl)piperidine-1-carboxylate | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Wichur, T, Wieckowska, A. | 登録日 | 2020-11-08 | 公開日 | 2021-09-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties. Eur.J.Med.Chem., 225, 2021
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6FPV
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![BU of 6fpv by Molmil](/molmil-images/mine/6fpv) | A llama-derived JBP1-targeting nanobody | 分子名称: | GLYCEROL, Nanobody | 著者 | van Beusekom, B, Adamopoulos, A, Heidebrecht, T, Joosten, R.P, Perrakis, A. | 登録日 | 2018-02-12 | 公開日 | 2018-10-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Characterization and structure determination of a llama-derived nanobody targeting the J-base binding protein 1. Acta Crystallogr F Struct Biol Commun, 74, 2018
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4MKB
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7B1O
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![BU of 7b1o by Molmil](/molmil-images/mine/7b1o) | Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22 | 分子名称: | 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide, Indoleamine 2,3-dioxygenase 1 | 著者 | Lammens, A, Krapp, S, Lewis, R.T, Hamilton, M.M. | 登録日 | 2020-11-25 | 公開日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J.Med.Chem., 64, 2021
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5XXO
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![BU of 5xxo by Molmil](/molmil-images/mine/5xxo) | Crystal structure of mutant (D286N) GH3 beta-glucosidase from Bacteroides thetaiotaomicron in complex with sophorotriose | 分子名称: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | 著者 | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahash, Y, Sugimoto, N, Nakai, H, Taguchi, H. | 登録日 | 2017-07-04 | 公開日 | 2017-12-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase. FEBS Lett., 591, 2017
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5XXQ
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4MK9
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![BU of 4mk9 by Molmil](/molmil-images/mine/4mk9) | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 12 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide) | 分子名称: | GLYCEROL, N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | 著者 | Harris, S.F, Wong, A. | 登録日 | 2013-09-04 | 公開日 | 2013-10-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B. J.Med.Chem., 56, 2013
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5XXL
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![BU of 5xxl by Molmil](/molmil-images/mine/5xxl) | Crystal structure of GH3 beta-glucosidase from Bacteroides thetaiotaomicron | 分子名称: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | 著者 | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahash, Y, Sugimoto, N, Nakai, H, Taguchi, H. | 登録日 | 2017-07-04 | 公開日 | 2017-12-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase. FEBS Lett., 591, 2017
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5XXN
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![BU of 5xxn by Molmil](/molmil-images/mine/5xxn) | Crystal Structure of mutant (D286N) beta-glucosidase from Bacteroides thetaiotaomicron in complex with sophorose | 分子名称: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | 著者 | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahashi, Y, Sugimono, N, Nakai, H, Taguchi, H. | 登録日 | 2017-07-04 | 公開日 | 2017-12-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase. FEBS Lett., 591, 2017
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2KQA
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![BU of 2kqa by Molmil](/molmil-images/mine/2kqa) | The solution structure of the fungal elicitor Cerato-Platanin | 分子名称: | Cerato-platanin | 著者 | Oliveira, A.L, Gallo, M, Pazzagli, L, Cappugi, G, Scala, A, Cicero, D.O, Pantera, B, Spisni, A, Benedetti, C.E, Pertinhez, T.A. | 登録日 | 2009-11-03 | 公開日 | 2011-03-23 | 最終更新日 | 2011-07-13 | 実験手法 | SOLUTION NMR | 主引用文献 | The solution structure of the fungal elicitor Cerato-Platanin To be Published
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2KBO
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![BU of 2kbo by Molmil](/molmil-images/mine/2kbo) | Structure, interaction, and real-time monitoring of the enzymatic reaction of wild type APOBEC3G | 分子名称: | DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION | 著者 | Furukawa, A, Nagata, T, Matsugami, A, Habu, Y, Sugiyama, R, Hayashi, F, Kobayashi, N, Yokoyama, S, Takaku, H, Katahira, M. | 登録日 | 2008-12-04 | 公開日 | 2009-02-03 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure, interaction and real-time monitoring of the enzymatic reaction of wild-type APOBEC3G Embo J., 28, 2009
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7ALV
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![BU of 7alv by Molmil](/molmil-images/mine/7alv) | |
7B7G
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![BU of 7b7g by Molmil](/molmil-images/mine/7b7g) | BAZ2A bromodomain in complex with compounds MS04 and B11 | 分子名称: | 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine, 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | 登録日 | 2020-12-10 | 公開日 | 2021-10-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.428 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7ALL
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![BU of 7all by Molmil](/molmil-images/mine/7all) | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT4683-S1_4) | 分子名称: | Arylsulfatase, CALCIUM ION, IODIDE ION, ... | 著者 | Sofia de Jesus Vaz Luis, A, Martens, E.C, Basle, A, Cartmell, A. | 登録日 | 2020-10-06 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | A single sulfatase is required to access colonic mucin by a gut bacterium. Nature, 598, 2021
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2KDE
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![BU of 2kde by Molmil](/molmil-images/mine/2kde) | NMR structure of major S5a (196-306):K48 linked diubiquitin species | 分子名称: | 26S proteasome non-ATPase regulatory subunit 4, Ubiquitin | 著者 | Zhang, N, Wang, Q, Ehlinger, A, Randles, L, Lary, J.W, Kang, Y, Haririnia, A, Cole, J.L, Fushman, D, Walters, K.J. | 登録日 | 2009-01-06 | 公開日 | 2009-09-01 | 最終更新日 | 2022-03-16 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of the s5a:k48-linked diubiquitin complex and its interactions with rpn13. Mol.Cell, 35, 2009
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7B82
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![BU of 7b82 by Molmil](/molmil-images/mine/7b82) | BAZ2A bromodomain in complex with triazole compound MS04-TN03 | 分子名称: | (2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | 登録日 | 2020-12-12 | 公開日 | 2021-10-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7B7I
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![BU of 7b7i by Molmil](/molmil-images/mine/7b7i) | BAZ2A bromodomain in complex with triazole compound MS04-TN02 | 分子名称: | 2-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]ethanamide, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | 登録日 | 2020-12-10 | 公開日 | 2021-10-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7B7B
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![BU of 7b7b by Molmil](/molmil-images/mine/7b7b) | BAZ2A bromodomain in complex with triazole compound MS04 | 分子名称: | 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | 登録日 | 2020-12-10 | 公開日 | 2021-10-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7AN1
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![BU of 7an1 by Molmil](/molmil-images/mine/7an1) | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20) | 分子名称: | Arylsulfatase, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A. | 登録日 | 2020-10-10 | 公開日 | 2021-10-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A single sulfatase is required to access colonic mucin by a gut bacterium. Nature, 598, 2021
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7ANB
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![BU of 7anb by Molmil](/molmil-images/mine/7anb) | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-S1_20) | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, N-acetylgalactosamine-6-sulfatase, ... | 著者 | Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A. | 登録日 | 2020-10-11 | 公開日 | 2021-10-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A single sulfatase is required to access colonic mucin by a gut bacterium. Nature, 598, 2021
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2KLS
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![BU of 2kls by Molmil](/molmil-images/mine/2kls) | Apo-form of the second Ca2+ binding domain of NCX1.4 | 分子名称: | Sodium/calcium exchanger 1 | 著者 | Hilge, M, Aelen, J, Foarce, A, Perrakis, A, Vuister, G.W. | 登録日 | 2009-07-08 | 公開日 | 2009-08-18 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Ca2+ regulation in the Na+/Ca2+ exchanger features a dual electrostatic switch mechanism. Proc.Natl.Acad.Sci.USA, 106, 2009
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