5EHR
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5EQR
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![BU of 5eqr by Molmil](/molmil-images/mine/5eqr) | Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with danoprevir | 分子名称: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3 protease, SULFATE ION, ... | 著者 | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A. | 登録日 | 2015-11-13 | 公開日 | 2016-11-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease. J.Am.Chem.Soc., 138, 2016
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4H5E
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![BU of 4h5e by Molmil](/molmil-images/mine/4h5e) | Crystal structure of human FPPS in ternary complex with YS0470 and isopentenyl pyrophosphate | 分子名称: | Farnesyl pyrophosphate synthase, ISOPENTYL PYROPHOSPHATE, MAGNESIUM ION, ... | 著者 | Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M. | 登録日 | 2012-09-18 | 公開日 | 2012-12-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Ternary complex structures of human farnesyl pyrophosphate synthase bound with a novel inhibitor and secondary ligands provide insights into the molecular details of the enzyme's active site closure. Bmc Struct.Biol., 12, 2012
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8HLG
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![BU of 8hlg by Molmil](/molmil-images/mine/8hlg) | Crystal structure of MoaE | 分子名称: | Molybdenum cofactor biosynthesis protein D/E, SULFATE ION | 著者 | Cai, J, Zhao, Y. | 登録日 | 2022-11-30 | 公開日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | MoaE Is Involved in Response to Oxidative Stress in Deinococcus radiodurans. Int J Mol Sci, 24, 2023
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7CK0
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5VB0
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![BU of 5vb0 by Molmil](/molmil-images/mine/5vb0) | Crystal structure of fosfomycin resistance protein FosA3 | 分子名称: | Fosfomycin resistance protein FosA3, MANGANESE (II) ION, NICKEL (II) ION | 著者 | Klontz, E, Guenther, S, Silverstein, Z, Sundberg, E. | 登録日 | 2017-03-28 | 公開日 | 2017-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.689 Å) | 主引用文献 | Structure and Dynamics of FosA-Mediated Fosfomycin Resistance in Klebsiella pneumoniae and Escherichia coli. Antimicrob. Agents Chemother., 61, 2017
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7COM
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![BU of 7com by Molmil](/molmil-images/mine/7com) | Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | 分子名称: | 3C-like proteinase, boceprevir (bound form) | 著者 | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | 登録日 | 2020-08-04 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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5Z1H
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![BU of 5z1h by Molmil](/molmil-images/mine/5z1h) | Crystal structure of the bacterial ribosomal decoding site in complex with 6'-fluoro sisomicin | 分子名称: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | 著者 | Kanazawa, H, Hanessian, S, Kondo, J. | 登録日 | 2017-12-26 | 公開日 | 2018-05-30 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-Based Design of a Eukaryote-Selective Antiprotozoal Fluorinated Aminoglycoside. ChemMedChem, 13, 2018
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7CBK
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![BU of 7cbk by Molmil](/molmil-images/mine/7cbk) | Structure of Human Neutrophil Elastase Ecotin complex | 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, Ecotin, ... | 著者 | Jobichen, C, Sivaraman, J. | 登録日 | 2020-06-12 | 公開日 | 2020-08-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural Basis for the Inhibition Mechanism of Ecotin against Neutrophil Elastase by Targeting the Active Site and Secondary Binding Site. Biochemistry, 59, 2020
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7CAH
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![BU of 7cah by Molmil](/molmil-images/mine/7cah) | The interface of H014 Fab binds to SARS-CoV-2 S | 分子名称: | Heavy chain of H014 Fab, Light chain of H014 Fab, Spike protein S1 | 著者 | Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Rao, Z, wang, Y, Qin, C, Wang, X. | 登録日 | 2020-06-08 | 公開日 | 2020-08-12 | 最終更新日 | 2021-03-10 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody. Science, 369, 2020
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7TZ7
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![BU of 7tz7 by Molmil](/molmil-images/mine/7tz7) | PI3K alpha in complex with an inhibitor | 分子名称: | (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one, Isoform 3 of Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Knapp, M.S, Tang, J. | 登録日 | 2022-02-15 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor. J.Med.Chem., 65, 2022
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7CH1
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![BU of 7ch1 by Molmil](/molmil-images/mine/7ch1) | The overall structure of SLC26A9 | 分子名称: | CHLORIDE ION, SODIUM ION, Solute carrier family 26 member 9 | 著者 | Chi, X.M, Chen, Y, Li, X.R, Zhang, Y.Y, Zhou, Q. | 登録日 | 2020-07-03 | 公開日 | 2020-08-26 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Structural insights into the gating mechanism of human SLC26A9 mediated by its C-terminal sequence. Cell Discov, 6, 2020
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5VB6
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4JLG
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![BU of 4jlg by Molmil](/molmil-images/mine/4jlg) | SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine | 分子名称: | 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, ... | 著者 | Dong, A, Wu, H, Zeng, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2013-03-12 | 公開日 | 2013-04-17 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.896 Å) | 主引用文献 | (R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells. Proc.Natl.Acad.Sci.USA, 111, 2014
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5F9A
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![BU of 5f9a by Molmil](/molmil-images/mine/5f9a) | Blood group antigen binding adhesin BabA of Helicobacter pylori strain P436 in complex with blood group H Lewis b hexasaccharide | 分子名称: | Adhesin binding fucosylated histo-blood group antigen,Adhesin,Adhesin binding fucosylated histo-blood group antigen, Nanobody Nb-ER19, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H. | 登録日 | 2015-12-09 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori. Cell Host Microbe, 19, 2016
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7COJ
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![BU of 7coj by Molmil](/molmil-images/mine/7coj) | Crystal structure of the b-carbonic anhydrase CafA of the fungal pathogen Aspergillus fumigatus | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, ZINC ION | 著者 | Jin, M.S, Kim, S, Yeon, J, Sung, J. | 登録日 | 2020-08-04 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of beta-Carbonic Anhydrase CafA from the Fungal Pathogen Aspergillus fumigatus . Mol.Cells, 43, 2020
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6WQN
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4JNA
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![BU of 4jna by Molmil](/molmil-images/mine/4jna) | Crystal structure of the DepH complex with dimethyl-FK228 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DepH, ... | 著者 | Li, J, Wang, C, Zhang, Z.M, Zhou, J.H, Cheng, E. | 登録日 | 2013-03-14 | 公開日 | 2014-03-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The structural basis of an NADP+-independent dithiol oxidase in FK228 biosynthesis. Sci Rep, 4, 2014
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5SX4
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![BU of 5sx4 by Molmil](/molmil-images/mine/5sx4) | Crystal Structure of panitumumab in complex with epidermal growth factor receptor domain 3. | 分子名称: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | 著者 | Sickmier, E.A, Kurzeja, R.J.M, Michelsen, K, Mukta, V, Yang, E, Tasker, A.S. | 登録日 | 2016-08-09 | 公開日 | 2016-10-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The Panitumumab EGFR Complex Reveals a Binding Mechanism That Overcomes Cetuximab Induced Resistance. Plos One, 11, 2016
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7UK2
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![BU of 7uk2 by Molmil](/molmil-images/mine/7uk2) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NN-390 | 分子名称: | Hdac6 protein, N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide, POTASSIUM ION, ... | 著者 | Erdogan, F, Seo, H.-S, Dhe-Paganon, S. | 登録日 | 2022-03-31 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | High Efficacy and Drug Synergy of HDAC6-Selective Inhibitor NN-429 in Natural Killer (NK)/T-Cell Lymphoma. Pharmaceuticals, 15, 2022
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7C5F
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![BU of 7c5f by Molmil](/molmil-images/mine/7c5f) | Crystal Structure of Glyceraldehyde-3-phosphate dehydrogenase1 from Escherichia coli at 1.88 Angstrom resolution | 分子名称: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION | 著者 | Zhang, L, Liu, M.R, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N. | 登録日 | 2020-05-20 | 公開日 | 2020-09-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Characterization and structure of glyceraldehyde-3-phosphate dehydrogenase type 1 from Escherichia coli. Acta Crystallogr.,Sect.F, 76, 2020
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4JR4
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![BU of 4jr4 by Molmil](/molmil-images/mine/4jr4) | Crystal structure of Mtb DsbA (Oxidized) | 分子名称: | Possible conserved membrane or secreted protein, SULFATE ION | 著者 | Wang, L. | 登録日 | 2013-03-21 | 公開日 | 2013-07-17 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.498 Å) | 主引用文献 | Structure analysis of the extracellular domain reveals disulfide bond forming-protein properties of Mycobacterium tuberculosis Rv2969c. Protein Cell, 4, 2013
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8HTB
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![BU of 8htb by Molmil](/molmil-images/mine/8htb) | Staphylococcus aureus FtsZ 12-316 complexed with TXH9179 | 分子名称: | 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ... | 著者 | Bryan, E, Ferrer-Gonzalez, E, Sagong, H.Y, Fujita, J, Mark, L, Kaul, M, LaVoie, E.J, Matsumura, H, Pilch, D.S. | 登録日 | 2022-12-21 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structural and Antibacterial Characterization of a New Benzamide FtsZ Inhibitor with Superior Bactericidal Activity and In Vivo Efficacy Against Multidrug-Resistant Staphylococcus aureus. Acs Chem.Biol., 18, 2023
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6X19
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![BU of 6x19 by Molmil](/molmil-images/mine/6x19) | Non peptide agonist CHU-128, bound to Glucagon-Like peptide-1 (GLP-1) Receptor | 分子名称: | 3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Belousoff, M.J, Zhang, X, Danev, R. | 登録日 | 2020-05-18 | 公開日 | 2020-09-09 | 最終更新日 | 2020-11-18 | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | 主引用文献 | Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists. Mol.Cell, 80, 2020
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5SXE
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![BU of 5sxe by Molmil](/molmil-images/mine/5sxe) | Crystal Structure of PI3Kalpha in complex with fragments 19 and 28 | 分子名称: | 3-aminobenzonitrile, 4-bromo-1H-imidazole, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-09 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.51 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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