4IKP
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![BU of 4ikp by Molmil](/molmil-images/mine/4ikp) | Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin | 分子名称: | (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | 著者 | Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC) | 登録日 | 2012-12-27 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion. Elife, 8, 2019
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4WWP
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![BU of 4wwp by Molmil](/molmil-images/mine/4wwp) | Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine | 分子名称: | GLYCEROL, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, ... | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2014-11-11 | 公開日 | 2014-12-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
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7F3B
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![BU of 7f3b by Molmil](/molmil-images/mine/7f3b) | cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | 分子名称: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | 著者 | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | 登録日 | 2021-06-16 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates. Eur.J.Med.Chem., 228, 2022
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7EPX
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![BU of 7epx by Molmil](/molmil-images/mine/7epx) | S protein of SARS-CoV-2 in complex with GW01 | 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, Spike glycoprotein, ... | 著者 | Shen, Y.P, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q. | 登録日 | 2021-04-28 | 公開日 | 2022-05-18 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Novel sarbecovirus bispecific neutralizing antibodies with exceptional breadth and potency against currently circulating SARS-CoV-2 variants and sarbecoviruses. Cell Discov, 8, 2022
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6DF4
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![BU of 6df4 by Molmil](/molmil-images/mine/6df4) | TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one) | 分子名称: | 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit | 著者 | Murray, J.M, Tang, Y. | 登録日 | 2018-05-14 | 公開日 | 2018-10-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | GNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like. J. Med. Chem., 61, 2018
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4X2L
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![BU of 4x2l by Molmil](/molmil-images/mine/4x2l) | Crystal structure of human BACE-1 bound to Compound 6 | 分子名称: | (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | 著者 | Vajdos, F.F, Parris, K. | 登録日 | 2014-11-26 | 公開日 | 2015-03-04 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design. J.Med.Chem., 58, 2015
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7CKG
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![BU of 7ckg by Molmil](/molmil-images/mine/7ckg) | Crystal structure of TMSiPheRS complexed with TMSiPhe | 分子名称: | 4-(trimethylsilyl)-L-phenylalanine, Tyrosine--tRNA ligase | 著者 | Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P. | 登録日 | 2020-07-17 | 公開日 | 2021-03-31 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.053 Å) | 主引用文献 | DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe. Nat Commun, 11, 2020
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7CKH
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![BU of 7ckh by Molmil](/molmil-images/mine/7ckh) | Crystal structure of TMSiPheRS | 分子名称: | Tyrosine--tRNA ligase | 著者 | Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P. | 登録日 | 2020-07-17 | 公開日 | 2021-03-31 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.79492676 Å) | 主引用文献 | DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe. Nat Commun, 11, 2020
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5VZ2
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![BU of 5vz2 by Molmil](/molmil-images/mine/5vz2) | |
8IX3
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![BU of 8ix3 by Molmil](/molmil-images/mine/8ix3) | Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement) | 分子名称: | BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11 | 著者 | Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S. | 登録日 | 2023-03-31 | 公開日 | 2023-11-15 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.98 Å) | 主引用文献 | Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant. J.Virol., 97, 2023
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4WY6
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![BU of 4wy6 by Molmil](/molmil-images/mine/4wy6) | Crystal structure of human BACE-1 bound to Compound 36 | 分子名称: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | 著者 | Vajdos, F.F. | 登録日 | 2014-11-15 | 公開日 | 2015-03-04 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design. J.Med.Chem., 58, 2015
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8W4U
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![BU of 8w4u by Molmil](/molmil-images/mine/8w4u) | human KCNQ2-CaM in complex with PIP2 and HN37 | 分子名称: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | 著者 | Ma, D, Li, X, Guo, J. | 登録日 | 2023-08-25 | 公開日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Ligand activation mechanisms of human KCNQ2 channel. Nat Commun, 14, 2023
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4WY1
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![BU of 4wy1 by Molmil](/molmil-images/mine/4wy1) | Crystal structure of human BACE-1 bound to Compound 24B | 分子名称: | (4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1 | 著者 | Vajdos, F.F, Parris, K. | 登録日 | 2014-11-14 | 公開日 | 2015-03-04 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design. J.Med.Chem., 58, 2015
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4WWN
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![BU of 4wwn by Molmil](/molmil-images/mine/4wwn) | Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor | 分子名称: | N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2014-11-11 | 公開日 | 2014-12-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
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6LAT
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![BU of 6lat by Molmil](/molmil-images/mine/6lat) | |
4WWO
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![BU of 4wwo by Molmil](/molmil-images/mine/4wwo) | Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine | 分子名称: | N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2014-11-11 | 公開日 | 2014-12-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
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5W18
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![BU of 5w18 by Molmil](/molmil-images/mine/5w18) | Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide | 分子名称: | 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit | 著者 | Lee, R.E, Griffith, E.C. | 登録日 | 2017-06-02 | 公開日 | 2017-08-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Ureadepsipeptides as ClpP Activators. Acs Infect Dis., 2019
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8IYX
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![BU of 8iyx by Molmil](/molmil-images/mine/8iyx) | Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365 | 分子名称: | 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365 | 著者 | Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M. | 登録日 | 2023-04-06 | 公開日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | 主引用文献 | Cryo-EM structures of human GPR34 enable the identification of selective antagonists. Proc.Natl.Acad.Sci.USA, 120, 2023
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8G8D
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![BU of 8g8d by Molmil](/molmil-images/mine/8g8d) | Crystal structure of DH1346 Fab in complex with HIV proximal MPER peptide | 分子名称: | DH1346 heavy chain, DH1346 light chain, FLUORIDE ION, ... | 著者 | Niyongabo, A, Janus, B.M, Ofek, G. | 登録日 | 2023-02-17 | 公開日 | 2024-05-22 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans. Cell, 187, 2024
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8G8A
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![BU of 8g8a by Molmil](/molmil-images/mine/8g8a) | Crystal structure of DH1317.8 Fab in complex with HIV proximal MPER peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1317.8 heavy chain, DH1317.8 light chain, ... | 著者 | Janus, B.M, Astavans, A, Ofek, G. | 登録日 | 2023-02-17 | 公開日 | 2024-05-22 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans. Cell, 187, 2024
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6LB0
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![BU of 6lb0 by Molmil](/molmil-images/mine/6lb0) | |
7YHK
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![BU of 7yhk by Molmil](/molmil-images/mine/7yhk) | Cryo-EM structure of the HA trimer of A/Beijing/262/1995(H1N1) in complex with neutralizing antibody 12H5 | 分子名称: | 12H5 heavy chain, 12H5 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zheng, Q, Li, S, Li, T, Xue, W, Sun, H. | 登録日 | 2022-07-13 | 公開日 | 2022-08-17 | 最終更新日 | 2023-07-19 | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | 主引用文献 | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses. Nat Commun, 13, 2022
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7WQV
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![BU of 7wqv by Molmil](/molmil-images/mine/7wqv) | Crystal structure of a neutralizing monoclonal antibody (Ab08) in complex with SARS-CoV-2 receptor-binding domain (RBD) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab08, ... | 著者 | Zha, J, Meng, L, Zhang, X, Li, D. | 登録日 | 2022-01-26 | 公開日 | 2023-01-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | A Spike-destructing human antibody effectively neutralizes Omicron-included SARS-CoV-2 variants with therapeutic efficacy. Plos Pathog., 19, 2023
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6ING
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![BU of 6ing by Molmil](/molmil-images/mine/6ing) | |
6IEC
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![BU of 6iec by Molmil](/molmil-images/mine/6iec) | Structure of RVFV Gn and human monoclonal antibody R17 | 分子名称: | NSmGnGc, R17 H chain, R17 L chain | 著者 | Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | 登録日 | 2018-09-13 | 公開日 | 2019-04-10 | 最終更新日 | 2019-07-10 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus. Nat Microbiol, 4, 2019
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