4QK7
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4QKC
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![BU of 4qkc by Molmil](/molmil-images/mine/4qkc) | Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under cryo diffraction conditions | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Thomaston, J.L, DeGrado, W.F. | 登録日 | 2014-06-05 | 公開日 | 2015-11-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction. Proc.Natl.Acad.Sci.USA, 112, 2015
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4QKL
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4QKM
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![BU of 4qkm by Molmil](/molmil-images/mine/4qkm) | Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under room temperature diffraction conditions | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Thomaston, J.L, DeGrado, W.F. | 登録日 | 2014-06-06 | 公開日 | 2015-11-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction. Proc.Natl.Acad.Sci.USA, 112, 2015
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1QB9
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1QA0
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![BU of 1qa0 by Molmil](/molmil-images/mine/1qa0) | BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX | 分子名称: | 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, TRYPSIN | 著者 | Whitlow, M. | 登録日 | 1999-04-09 | 公開日 | 2000-04-10 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin. Acta Crystallogr.,Sect.D, 55, 1999
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4YZT
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![BU of 4yzt by Molmil](/molmil-images/mine/4yzt) | Crystal structure of a tri-modular GH5 (subfamily 4) endo-beta-1, 4-glucanase from Bacillus licheniformis complexed with cellotetraose | 分子名称: | 1,2-ETHANEDIOL, Cellulose hydrolase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | 著者 | Liberato, M.V, Popov, A, Polikarpov, I. | 登録日 | 2015-03-25 | 公開日 | 2016-09-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.665 Å) | 主引用文献 | Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism. Sci Rep, 6, 2016
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4YZP
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6CE2
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![BU of 6ce2 by Molmil](/molmil-images/mine/6ce2) | Crystal structure of Myotoxin I (MjTX-I) from Bothrops moojeni complexed to inhibitor suramin | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Basic phospholipase A2 homolog 1 | 著者 | Salvador, G.H.M, Fontes, M.R.M. | 登録日 | 2018-02-10 | 公開日 | 2018-07-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural and functional characterization of suramin-bound MjTX-I from Bothrops moojeni suggests a particular myotoxic mechanism. Sci Rep, 8, 2018
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8F5X
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![BU of 8f5x by Molmil](/molmil-images/mine/8f5x) | Crystal structure of human eosinophil-derived neurotoxin (EDN, ribonuclease 2) in complex with 5'-adenosine monophosphate (AMP) | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Non-secretory ribonuclease, ... | 著者 | Tran, T.T.Q, Pham, N.T.H, Calmettes, C, Doucet, N. | 登録日 | 2022-11-15 | 公開日 | 2023-11-29 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Ancestral sequence reconstruction dissects structural and functional differences among eosinophil ribonucleases. J.Biol.Chem., 300, 2024
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5BRO
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![BU of 5bro by Molmil](/molmil-images/mine/5bro) | Crystal structure of modified HexB (modB) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase subunit beta, FORMIC ACID, ... | 著者 | Kitakaze, K, Maita, N, Itoh, K. | 登録日 | 2015-06-01 | 公開日 | 2016-05-04 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Protease-resistant modified human beta-hexosaminidase B ameliorates symptoms in GM2 gangliosidosis model. J.Clin.Invest., 126, 2016
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8FC0
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3BF6
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![BU of 3bf6 by Molmil](/molmil-images/mine/3bf6) | Thrombin:suramin complex | 分子名称: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID, PHE-PRO-ARG, Thrombin, ... | 著者 | Lima, L.M.T.R, Polikarpov, I, Monteiro, R.Q. | 登録日 | 2007-11-20 | 公開日 | 2007-12-25 | 最終更新日 | 2015-07-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural and thermodynamic analysis of thrombin:suramin interaction in solution and crystal phases. Biochim.Biophys.Acta, 1794, 2009
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6MV6
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![BU of 6mv6 by Molmil](/molmil-images/mine/6mv6) | Crystal structure of RNAse 6 | 分子名称: | PHOSPHATE ION, Ribonuclease K6 | 著者 | Couture, J.-F, Doucet, N. | 登録日 | 2018-10-24 | 公開日 | 2019-11-13 | 最終更新日 | 2020-05-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Insights into Structural and Dynamical Changes Experienced by Human RNase 6 upon Ligand Binding. Biochemistry, 59, 2020
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6MV7
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![BU of 6mv7 by Molmil](/molmil-images/mine/6mv7) | Crystal structure of RNAse 6 | 分子名称: | ADENOSINE MONOPHOSPHATE, Ribonuclease K6 | 著者 | Couture, J.-F, Doucet, N. | 登録日 | 2018-10-24 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Insights into Structural and Dynamical Changes Experienced by Human RNase 6 upon Ligand Binding. Biochemistry, 59, 2020
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6X3P
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![BU of 6x3p by Molmil](/molmil-images/mine/6x3p) | Co-structure of BTK kinase domain with L-005298385 inhibitor | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | 著者 | Fischmann, T.O. | 登録日 | 2020-05-21 | 公開日 | 2020-07-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
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5FBN
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![BU of 5fbn by Molmil](/molmil-images/mine/5fbn) | BTK kinase domain with inhibitor 1 | 分子名称: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | 著者 | Raaijmakers, H.C.A, Vu-Pham, D. | 登録日 | 2015-12-14 | 公開日 | 2016-02-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis. Acs Med.Chem.Lett., 7, 2016
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8DC1
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5FBO
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![BU of 5fbo by Molmil](/molmil-images/mine/5fbo) | BTK-inhibitor co-structure | 分子名称: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | 著者 | Fischmann, T.O. | 登録日 | 2015-12-14 | 公開日 | 2016-03-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.894 Å) | 主引用文献 | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis. ACS Med Chem Lett, 7, 2016
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8G9A
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![BU of 8g9a by Molmil](/molmil-images/mine/8g9a) | Crystal structure of a resurrected ancestor (AncRNase) of the pancreatic-type RNases 2 and 3 sub-families | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, SULFATE ION, ... | 著者 | Tran, T.T.Q, Pham, N.T.H, Calmettes, C, Doucet, N. | 登録日 | 2023-02-21 | 公開日 | 2024-02-28 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Ancestral sequence reconstruction dissects structural and functional differences among eosinophil ribonucleases. J.Biol.Chem., 300, 2024
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4K68
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![BU of 4k68 by Molmil](/molmil-images/mine/4k68) | Structure of a novel GH10 endoxylanase retrieved from sugarcane soil metagenome | 分子名称: | GH10 xylanase, GLYCEROL | 著者 | Santos, C.R, Polo, C.C, Alvarez, T.M, Paixao, D.A.A, Almeida, R.F, Pereira, I.O, Squina, F.M, Murakami, M.T. | 登録日 | 2013-04-15 | 公開日 | 2013-10-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Development and biotechnological application of a novel endoxylanase family GH10 identified from sugarcane soil metagenome. Plos One, 8, 2013
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4RT7
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![BU of 4rt7 by Molmil](/molmil-images/mine/4rt7) | Crystal Structure of FLT3 with a small molecule inhibitor | 分子名称: | 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea, Receptor-type tyrosine-protein kinase FLT3 | 著者 | Zhang, Y, Zhang, C. | 登録日 | 2014-11-13 | 公開日 | 2015-04-22 | 最終更新日 | 2015-06-17 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Characterizing and Overriding the Structural Mechanism of the Quizartinib-Resistant FLT3 "Gatekeeper" F691L Mutation with PLX3397. Cancer Discov, 5, 2015
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7U62
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![BU of 7u62 by Molmil](/molmil-images/mine/7u62) | Crystal structure of Anti-Heroin Antibody HY4-1F9 Fab Complexed with Morphine | 分子名称: | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, ACETATE ION, HY4-1F9 Fab Heavy Chain, ... | 著者 | Rodarte, J.V, Pancera, M.P. | 登録日 | 2022-03-03 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding. Structure, 31, 2023
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7U63
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![BU of 7u63 by Molmil](/molmil-images/mine/7u63) | Crystal Structure Anti-Oxycodone Antibody HY2-A12 Fab Complexed with Oxycodone | 分子名称: | 14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one, HY2-A12 Fab Heavy Chain, HY2-A12 Fab Light Chain | 著者 | Rodarte, J.V, Pancera, M.P, Weidle, C, Rupert, P.B, Strong, R.K. | 登録日 | 2022-03-03 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding. Structure, 31, 2023
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7U64
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