7L5D
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![BU of 7l5d by Molmil](/molmil-images/mine/7l5d) | The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-12-21 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2. Science, 373, 2021
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5TP9
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![BU of 5tp9 by Molmil](/molmil-images/mine/5tp9) | Structure of the human GluN1/GluN2A LBD in complex with compound 2 (GNE9178) | 分子名称: | 7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, ACETATE ION, CALCIUM ION, ... | 著者 | Wallweber, H.J.A, Lupardus, P.J. | 登録日 | 2016-10-20 | 公開日 | 2016-11-30 | 最終更新日 | 2017-02-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile. ACS Med Chem Lett, 8, 2017
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5TPA
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![BU of 5tpa by Molmil](/molmil-images/mine/5tpa) | Structure of the human GluN1/GluN2A LBD in complex with compound 9 (GNE3500) | 分子名称: | (1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile, GLUTAMIC ACID, GLYCINE, ... | 著者 | Wallweber, H.J.A, Lupardus, P.J. | 登録日 | 2016-10-20 | 公開日 | 2016-11-30 | 最終更新日 | 2017-02-01 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile. ACS Med Chem Lett, 8, 2017
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5V82
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![BU of 5v82 by Molmil](/molmil-images/mine/5v82) | PIM1 kinase in complex with Cpd17 (1-(6-(4,4-difluoropiperidin-3-yl)pyridin-2-yl)-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine) | 分子名称: | 1-{6-[(3R)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine, Serine/threonine-protein kinase pim-1 | 著者 | Murray, J.M, Wallweber, H. | 登録日 | 2017-03-21 | 公開日 | 2017-05-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.888 Å) | 主引用文献 | Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability. J. Med. Chem., 60, 2017
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5V80
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![BU of 5v80 by Molmil](/molmil-images/mine/5v80) | |
5VOF
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![BU of 5vof by Molmil](/molmil-images/mine/5vof) | DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban | 分子名称: | 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide, CALCIUM ION, Coagulation factor X, ... | 著者 | Krishnaswamy, S, Kumar, S. | 登録日 | 2017-05-02 | 公開日 | 2018-06-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass. Nat. Biotechnol., 36, 2018
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2KVR
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![BU of 2kvr by Molmil](/molmil-images/mine/2kvr) | Solution NMR structure of human ubiquitin specific protease Usp7 UBL domain (residues 537-664). NESG target hr4395c/ SGC-Toronto | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Bezsonova, I, Lemak, A, Avvakumov, G, Xue, S, Dhe-Paganon, S, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC) | 登録日 | 2010-03-25 | 公開日 | 2010-04-21 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | solution structure of the ubiquitin specific protease Usp7 ubiquitin-like domain To be Published
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4UYH
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![BU of 4uyh by Molmil](/molmil-images/mine/4uyh) | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-((2R,4S)-2-methyl-4-(phenylamino)-6-(4-(piperidin-1-ylmethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)ethanone | 分子名称: | 1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone, BROMODOMAIN-CONTAINING PROTEIN 2, DIMETHYL SULFOXIDE, ... | 著者 | Chung, C, Bamborough, P, Gosmini, R. | 登録日 | 2014-08-31 | 公開日 | 2014-10-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor. J.Med.Chem., 57, 2014
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4UYG
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![BU of 4uyg by Molmil](/molmil-images/mine/4uyg) | C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) | 分子名称: | 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 2, SULFATE ION | 著者 | Chung, C, Bamborough, P, Gosmini, R. | 登録日 | 2014-08-31 | 公開日 | 2014-10-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor. J.Med.Chem., 57, 2014
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3C9J
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![BU of 3c9j by Molmil](/molmil-images/mine/3c9j) | The Crystal structure of Transmembrane domain of M2 protein and Amantadine complex | 分子名称: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, Proton Channel protein M2, transmembrane segment | 著者 | Stouffer, A.L, Acharya, R, Salom, D. | 登録日 | 2008-02-15 | 公開日 | 2008-03-11 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Structural basis for the function and inhibition of an influenza virus proton channel Nature, 451, 2008
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4UAP
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![BU of 4uap by Molmil](/molmil-images/mine/4uap) | X-ray structure of GH31 CBM32-2 bound to GalNAc | 分子名称: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, GLYCEROL, ... | 著者 | Grondin, J.M, Abe, K, Boraston, A.B, Smith, S.P. | 登録日 | 2014-08-11 | 公開日 | 2015-10-07 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens. PLoS ONE, 12, 2017
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8DTO
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![BU of 8dto by Molmil](/molmil-images/mine/8dto) | Vaccine elicited Antibody MU89 bound to CH848.D949.10.17_N133D_N138T.DS.SOSIP.664 HIV-1 Env trimer | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Stalls, V, Acharya, P. | 登録日 | 2022-07-26 | 公開日 | 2023-04-19 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.57 Å) | 主引用文献 | Mutation-guided vaccine design: A process for developing boosting immunogens for HIV broadly neutralizing antibody induction. Cell Host Microbe, 32, 2024
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8DY6
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![BU of 8dy6 by Molmil](/molmil-images/mine/8dy6) | Vaccine elicited Antibody MU89+S27Y bound to CH848.D949.10.17_N133D_N138T.DS.SOSIP.664 HIV-1 Env trimer | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Stalls, V, Acharya, P. | 登録日 | 2022-08-03 | 公開日 | 2023-04-19 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (4.32 Å) | 主引用文献 | Mutation-guided vaccine design: A process for developing boosting immunogens for HIV broadly neutralizing antibody induction. Cell Host Microbe, 32, 2024
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6MFJ
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6MFP
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![BU of 6mfp by Molmil](/molmil-images/mine/6mfp) | Crystal Structure of the RV305 C1-C2 specific ADCC potent antibody DH677.3 Fab in complex with HIV-1 clade A/E gp120 and M48U1 | 分子名称: | 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, CHLORIDE ION, ... | 著者 | Tolbert, W.D, Young, B, Pazgier, M. | 登録日 | 2018-09-11 | 公開日 | 2019-09-18 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Boosting with AIDSVAX B/E Enhances Env Constant Region 1 and 2 Antibody-Dependent Cellular Cytotoxicity Breadth and Potency. J.Virol., 94, 2020
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4TXW
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![BU of 4txw by Molmil](/molmil-images/mine/4txw) | Crystal structure of CBM32-4 from the Clostridium perfringens NagH | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Hyaluronoglucosaminidase | 著者 | Grondin, J.M, Ficko-Blean, E, Boraston, A.B, Smith, S.P. | 登録日 | 2014-07-07 | 公開日 | 2015-12-09 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Solution Structure and Dynamics of Full-length GH84A, a multimodular B-N-acetylglucosaminidase from Clostridium perfringens To Be Published
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5JOR
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![BU of 5jor by Molmil](/molmil-images/mine/5jor) | Crystal structure of unbound anti-glycan antibody Fab14.22 at 2.2 A | 分子名称: | Fab 14.22 light chain, Fab14.22 heavy chain, GLYCEROL, ... | 著者 | Sarkar, A, Irimia, A, Teyton, L, Wilson, I.A. | 登録日 | 2016-05-02 | 公開日 | 2017-03-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.206 Å) | 主引用文献 | T cells control the generation of nanomolar-affinity anti-glycan antibodies. J. Clin. Invest., 127, 2017
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4YDV
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![BU of 4ydv by Molmil](/molmil-images/mine/4ydv) | STRUCTURE OF THE ANTIBODY 7B2 THAT CAPTURES HIV-1 VIRIONS | 分子名称: | HIV ANTIBODY 7B2 HEAVY CHAIN,IgG H chain, HIV ANTIBODY 7B2 LIGHT CHAIN,Ig kappa chain C region, HIV GP41 PEPTIDE GP41(596-606) | 著者 | Nicely, N.I, Pemble IV, C.W. | 登録日 | 2015-02-23 | 公開日 | 2015-08-12 | 最終更新日 | 2021-03-24 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Human Non-neutralizing HIV-1 Envelope Monoclonal Antibodies Limit the Number of Founder Viruses during SHIV Mucosal Infection in Rhesus Macaques. Plos Pathog., 11, 2015
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5JOP
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![BU of 5jop by Molmil](/molmil-images/mine/5jop) | Crystal structure of anti-glycan antibody Fab14.22 in complex with Streptococcus pneumoniae serotype 14 tetrasaccharide at 1.75 A | 分子名称: | Fab 14.22 light chain, Fab14.22 heavy chain, GLYCEROL, ... | 著者 | Sarkar, A, Irimia, A, Teyton, L, Wilson, I.A. | 登録日 | 2016-05-02 | 公開日 | 2017-03-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | T cells control the generation of nanomolar-affinity anti-glycan antibodies. J. Clin. Invest., 127, 2017
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5ZWL
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2K4X
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![BU of 2k4x by Molmil](/molmil-images/mine/2k4x) | Solution structure of 30S ribosomal protein S27A from Thermoplasma acidophilum | 分子名称: | 30S ribosomal protein S27ae, ZINC ION | 著者 | Wu, B, Yee, A, Fares, C, Lemak, A, Semest, A, Arrowsmith, C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP) | 登録日 | 2008-06-20 | 公開日 | 2008-08-19 | 最終更新日 | 2024-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of 30S ribosomal protein S27A from Thermoplasma acidophilum/Northeast Structural Genomics Consortium Target TaT88/Ontario Center for Structural Proteomics target ta1093 To be Published
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2KKX
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![BU of 2kkx by Molmil](/molmil-images/mine/2kkx) | Solution Structure of C-terminal domain of reduced NleG2-3 (residues 90-191) from Pathogenic E. coli O157:H7. Northeast Structural Genomics Consortium and Midwest Center for Structural Genomics target ET109A | 分子名称: | Uncharacterized protein ECs2156 | 著者 | Wu, B, Yee, A, Fares, C, Lemak, A, Semest, A, Claude, M, Singer, A, Edwards, A, Savchenko, A, Montelione, G.T, Joachimiak, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP), Midwest Center for Structural Genomics (MCSG) | 登録日 | 2009-06-29 | 公開日 | 2009-08-25 | 最終更新日 | 2024-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | NleG Type 3 effectors from enterohaemorrhagic Escherichia coli are U-Box E3 ubiquitin ligases. Plos Pathog., 6, 2010
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7QDL
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![BU of 7qdl by Molmil](/molmil-images/mine/7qdl) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with I-BET567 | 分子名称: | (2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Chung, C. | 登録日 | 2021-11-27 | 公開日 | 2022-12-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Design, Synthesis, and Characterization of I-BET567, a Pan-Bromodomain and Extra Terminal (BET) Bromodomain Oral Candidate. J.Med.Chem., 65, 2022
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7SSC
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![BU of 7ssc by Molmil](/molmil-images/mine/7ssc) | |
5XCC
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![BU of 5xcc by Molmil](/molmil-images/mine/5xcc) | |