8CAI
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![BU of 8cai by Molmil](/molmil-images/mine/8cai) | Streptomycin and Hygromycin B bound to the 30S body | 分子名称: | 16S rRNA, 30S ribosomal protein S16, 30S ribosomal protein S2, ... | 著者 | Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N. | 登録日 | 2023-01-24 | 公開日 | 2023-07-26 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (2.08 Å) | 主引用文献 | Structural conservation of antibiotic interaction with ribosomes. Nat.Struct.Mol.Biol., 30, 2023
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8TAB
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![BU of 8tab by Molmil](/molmil-images/mine/8tab) | RTA-PD00589 | 分子名称: | 1,2-ETHANEDIOL, 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, ... | 著者 | Rudolph, M.J, Tumer, N. | 登録日 | 2023-06-27 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin. Bioorg.Med.Chem., 100, 2024
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6U9U
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![BU of 6u9u by Molmil](/molmil-images/mine/6u9u) | Structure of GM9_TH8seq732127 FAB | 分子名称: | 1,2-ETHANEDIOL, FORMIC ACID, GM9_TH8seq732127 FAB heavy chain, ... | 著者 | Singh, S, Liban, T.J, Pancera, M. | 登録日 | 2019-09-09 | 公開日 | 2019-11-06 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses. J.Exp.Med., 217, 2020
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7SBG
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8Q34
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![BU of 8q34 by Molmil](/molmil-images/mine/8q34) | Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | 著者 | MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M. | 登録日 | 2023-08-03 | 公開日 | 2024-02-07 | 最終更新日 | 2024-08-14 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Mapping protein binding sites by photoreactive fragment pharmacophores. Commun Chem, 7, 2024
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6EUN
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![BU of 6eun by Molmil](/molmil-images/mine/6eun) | Crystal structure of Neisseria meningitidis vaccine antigen NadA variant 3 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ... | 著者 | Dello Iacono, L, Liguori, A, Malito, E, Bottomley, M.J. | 登録日 | 2017-10-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | NadA3 Structures Reveal Undecad Coiled Coils and LOX1 Binding Regions Competed by Meningococcus B Vaccine-Elicited Human Antibodies. MBio, 9, 2018
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5MBM
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6UPJ
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![BU of 6upj by Molmil](/molmil-images/mine/6upj) | HIV-2 PROTEASE/U99294 COMPLEX | 分子名称: | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-2-ONE, HIV-2 PROTEASE | 著者 | Watenpaugh, K.D, Mulichak, A.M, Finzel, B.C. | 登録日 | 1996-12-10 | 公開日 | 1997-04-21 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Use of medium-sized cycloalkyl rings to enhance secondary binding: discovery of a new class of human immunodeficiency virus (HIV) protease inhibitors. J.Med.Chem., 38, 1995
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5MBL
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6BA2
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![BU of 6ba2 by Molmil](/molmil-images/mine/6ba2) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor | 分子名称: | 4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, CHLORIDE ION, GLYCEROL, ... | 著者 | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | 登録日 | 2017-10-11 | 公開日 | 2018-08-01 | 最終更新日 | 2020-01-08 | 実験手法 | X-RAY DIFFRACTION (1.85003817 Å) | 主引用文献 | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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6EUP
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![BU of 6eup by Molmil](/molmil-images/mine/6eup) | Crystal structure of Neisseria meningitidis NadA variant 3 double mutant A33I-I38L | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Adhesin A, ... | 著者 | Dello Iacono, L, Liguori, A, Malito, E, Bottomley, M.J. | 登録日 | 2017-10-31 | 公開日 | 2018-10-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | NadA3 Structures Reveal Undecad Coiled Coils and LOX1 Binding Regions Competed by Meningococcus B Vaccine-Elicited Human Antibodies. MBio, 9, 2018
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8CS9
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![BU of 8cs9 by Molmil](/molmil-images/mine/8cs9) | Composite reconstruction of Class 1 of the erythrocyte ankyrin-1 complex | 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, Ammonium transporter Rh type A, ... | 著者 | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | 登録日 | 2022-05-12 | 公開日 | 2022-07-20 | 最終更新日 | 2022-07-27 | 実験手法 | ELECTRON MICROSCOPY (2.74 Å) | 主引用文献 | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
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8QEN
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8QEO
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5M3A
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![BU of 5m3a by Molmil](/molmil-images/mine/5m3a) | Crystal structure of BRD4 BROMODOMAIN 1 IN COMPLEX WITH LIGAND 2 | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4 | 著者 | Kessler, D, Mayer, M, Engelhardt, H, Wolkerstorfer, B, Geist, L. | 登録日 | 2016-10-14 | 公開日 | 2017-09-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Direct NMR Probing of Hydration Shells of Protein Ligand Interfaces and Its Application to Drug Design. J. Med. Chem., 60, 2017
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8REF
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![BU of 8ref by Molmil](/molmil-images/mine/8ref) | Crystal structure of HLA B*13:01 in complex with SVLNDILARL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | 著者 | Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S. | 登録日 | 2023-12-11 | 公開日 | 2024-05-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific. Curr Res Struct Biol, 7, 2024
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8RCV
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![BU of 8rcv by Molmil](/molmil-images/mine/8rcv) | Crystal structure of HLA B*13:01 in complex with SVLNDIFSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen B alpha chain, ... | 著者 | Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S. | 登録日 | 2023-12-07 | 公開日 | 2024-05-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific. Curr Res Struct Biol, 7, 2024
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1G8Z
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![BU of 1g8z by Molmil](/molmil-images/mine/1g8z) | HIS57ALA MUTANT OF CHOLERA TOXIN B-PENATMER | 分子名称: | CHOLERA TOXIN B PROTEIN, beta-D-galactopyranose | 著者 | Aman, A.T, Fraser, S, Merritt, E.A, Rodigherio, C, Kenny, M. | 登録日 | 2000-11-21 | 公開日 | 2001-07-25 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A mutant cholera toxin B subunit that binds GM1- ganglioside but lacks immunomodulatory or toxic activity. Proc.Natl.Acad.Sci.USA, 98, 2001
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6SY6
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![BU of 6sy6 by Molmil](/molmil-images/mine/6sy6) | TetR in complex with the TetR-binding RNA-aptamer K2 | 分子名称: | RNA (36-MER), Tetracycline repressor protein class B from transposon Tn10 | 著者 | Grau, F.C, Muller, Y.A, Suess, B, Groher, F, Jaeger, J. | 登録日 | 2019-09-27 | 公開日 | 2020-02-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The complex formed between a synthetic RNA aptamer and the transcription repressor TetR is a structural and functional twin of the operator DNA-TetR regulator complex. Nucleic Acids Res., 48, 2020
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5J48
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![BU of 5j48 by Molmil](/molmil-images/mine/5j48) | PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP | 分子名称: | 1,2-ETHANEDIOL, 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, CALCIUM ION, ... | 著者 | Campbell, J.C, Sankaran, B, Kim, C.W. | 登録日 | 2016-03-31 | 公開日 | 2017-04-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Structural Basis of Analog Specificity in PKG I and II. ACS Chem. Biol., 12, 2017
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6OIK
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![BU of 6oik by Molmil](/molmil-images/mine/6oik) | Muscarinic acetylcholine receptor 2-Go complex | 分子名称: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Antibody fragment, ... | 著者 | Maeda, S, Qianhui, Q, Skiniotis, G, Kobilka, B. | 登録日 | 2019-04-09 | 公開日 | 2019-05-08 | 最終更新日 | 2020-01-08 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structures of the M1 and M2 muscarinic acetylcholine receptor/G-protein complexes. Science, 364, 2019
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6BA4
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![BU of 6ba4 by Molmil](/molmil-images/mine/6ba4) | Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor | 分子名称: | ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ... | 著者 | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | 登録日 | 2017-10-12 | 公開日 | 2018-08-01 | 最終更新日 | 2020-01-08 | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | 主引用文献 | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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6T6A
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![BU of 6t6a by Molmil](/molmil-images/mine/6t6a) | Crystal structure of DYRK1A complexed with KuFal319 (compound 11) | 分子名称: | 4-chloranyl-5~{H}-cyclohepta[b]indol-10-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2019-10-18 | 公開日 | 2019-12-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | [ b ]-Annulated Halogen-Substituted Indoles as Potential DYRK1A Inhibitors. Molecules, 24, 2019
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6TPD
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![BU of 6tpd by Molmil](/molmil-images/mine/6tpd) | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | 分子名称: | 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one, Tyrosine-protein kinase JAK2 | 著者 | Hansen, B.B, Jepsen, T.J, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Moelck, C, Rai, S, Nasipireddy, V.R, Ritzen, A. | 登録日 | 2019-12-13 | 公開日 | 2020-06-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63, 2020
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6G4Y
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![BU of 6g4y by Molmil](/molmil-images/mine/6g4y) | Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a | 分子名称: | 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | 著者 | Hole, A.J, Hymowitz, S.G, McEwan, P.A. | 登録日 | 2018-03-28 | 公開日 | 2018-07-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase. J. Med. Chem., 61, 2018
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