7BF7
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6TQ3
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7BGA
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5N4E
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![BU of 5n4e by Molmil](/molmil-images/mine/5n4e) | Prolyl oligopeptidase B from Galerina marginata bound to 35mer hydrolysis and macrocyclization substrate - H698A mutant | 分子名称: | Alpha-amanitin proprotein, GLYCEROL, Prolyl oligopeptidase | 著者 | Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H. | 登録日 | 2017-02-10 | 公開日 | 2017-11-01 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates. Nat Commun, 8, 2017
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6TPP
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5N5H
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![BU of 5n5h by Molmil](/molmil-images/mine/5n5h) | Crystal structure of metallo-beta-lactamase VIM-1 in complex with ML302F inhibitor | 分子名称: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase VIM-1, ZINC ION | 著者 | Salimraj, R, Hinchliffe, P, Spencer, J. | 登録日 | 2017-02-14 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases. FEBS J., 286, 2019
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6T1Z
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![BU of 6t1z by Molmil](/molmil-images/mine/6t1z) | LmrP from L. lactis, in an outward-open conformation, bound to Hoechst 33342 | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DODECYL-ALPHA-D-MALTOSIDE, ... | 著者 | Hutchin, A, Debruycker, V, Masureel, M, Legrand, P, Remaut, H, Govaerts, C. | 登録日 | 2019-10-07 | 公開日 | 2020-07-29 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | An embedded lipid in the multidrug transporter LmrP suggests a mechanism for polyspecificity. Nat.Struct.Mol.Biol., 27, 2020
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5NCZ
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![BU of 5ncz by Molmil](/molmil-images/mine/5ncz) | mPI3Kd IN COMPLEX WITH inh1 | 分子名称: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J. | 登録日 | 2017-03-06 | 公開日 | 2017-06-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration. J. Med. Chem., 60, 2017
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6T1Q
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7BYW
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6T2D
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![BU of 6t2d by Molmil](/molmil-images/mine/6t2d) | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions | 分子名称: | 2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | 著者 | Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M. | 登録日 | 2019-10-08 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 59, 2020
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6T2I
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7C06
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![BU of 7c06 by Molmil](/molmil-images/mine/7c06) | Crystal structure of yeast U2AF1 complex bound to 3' splice site RNA, 5'-UAGGU. | 分子名称: | RNA (5'-R(*U*UP*AP*GP*GP*U)-3'), Splicing factor U2AF 23 kDa subunit, Splicing factor U2AF 59 kDa subunit, ... | 著者 | Yoshida, H, Park, S.Y, Urano, T, Obayashi, E. | 登録日 | 2020-04-30 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Elucidation of the aberrant 3' splice site selection by cancer-associated mutations on the U2AF1. Nat Commun, 11, 2020
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6T2S
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![BU of 6t2s by Molmil](/molmil-images/mine/6t2s) | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | 分子名称: | Glycoside hydrolase family 16 protein, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose | 著者 | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | 登録日 | 2019-10-09 | 公開日 | 2020-07-08 | 最終更新日 | 2020-08-26 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown. Nat Commun, 11, 2020
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5MZG
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![BU of 5mzg by Molmil](/molmil-images/mine/5mzg) | Crystal structure of mouse MTH1 in complex with TH588 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION, ... | 著者 | Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P. | 登録日 | 2017-01-31 | 公開日 | 2018-01-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity. Biochemistry, 57, 2018
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5MYV
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![BU of 5myv by Molmil](/molmil-images/mine/5myv) | Crystal structure of SRPK2 in complex with compound 1 | 分子名称: | 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide, DIMETHYL SULFOXIDE, SRSF protein kinase 2,SRSF protein kinase 2, ... | 著者 | Chaikuad, A, Pike, A.C.W, Savitsky, P, von Delft, F, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2017-01-29 | 公開日 | 2017-05-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease. ACS Chem. Biol., 12, 2017
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5MZM
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![BU of 5mzm by Molmil](/molmil-images/mine/5mzm) | Structure of H-2Db in complex with TEIPP APL Trh4 p3P | 分子名称: | Beta-2-microglobulin, Ceramide synthase 5 derived peptide Trh4 p3P, GLYCEROL, ... | 著者 | Hafstrand, I, Achour, A, Sandalova, T. | 登録日 | 2017-02-01 | 公開日 | 2018-03-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The Immunogenicity of a Proline-Substituted Altered Peptide Ligand toward the Cancer-Associated TEIPP Neoepitope Trh4 Is Unrelated to Complex Stability. J. Immunol., 200, 2018
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5MZJ
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![BU of 5mzj by Molmil](/molmil-images/mine/5mzj) | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with theophylline at 2.0A resolution | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | 著者 | Cheng, R.K.Y, Segala, E, Robertson, N, Deflorian, F, Dore, A.S, Errey, J.C, Fiez-Vandal, C, Marshall, F.H, Cooke, R.M. | 登録日 | 2017-01-31 | 公開日 | 2017-07-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity. Structure, 25, 2017
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6T4C
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![BU of 6t4c by Molmil](/molmil-images/mine/6t4c) | Bovine enterovirus F3 in complex with glutathione | 分子名称: | GLUTATHIONE, GLYCEROL, POTASSIUM ION, ... | 著者 | Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I. | 登録日 | 2019-10-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Glutathione facilitates enterovirus assembly by binding at a druggable pocket. Commun Biol, 3, 2020
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5MZR
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7BGZ
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![BU of 7bgz by Molmil](/molmil-images/mine/7bgz) | Mutant L39K of recombinant beta-lactoglobulin in complex with endogenous ligand | 分子名称: | 1,2-ETHANEDIOL, Beta-lactoglobulin, DECANOIC ACID | 著者 | Loch, J.I, Siuda, M.K, Lewinski, K. | 登録日 | 2021-01-09 | 公開日 | 2021-01-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | 主引用文献 | Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket. Acta Biochim.Pol., 68, 2021
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6T50
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![BU of 6t50 by Molmil](/molmil-images/mine/6t50) | ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric ligand Glenmark | 分子名称: | 25-HYDROXYCHOLESTEROL, 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, GLYCEROL, ... | 著者 | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | 登録日 | 2019-10-15 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
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5N0A
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![BU of 5n0a by Molmil](/molmil-images/mine/5n0a) | Crystal structure of A259C covalently linked dengue 2 virus envelope glycoprotein dimer in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 A11 | 分子名称: | BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11 HEAVY CHAIN, Envelope Glycoprotein E, ... | 著者 | Vaney, M.C, Rouvinski, A, Guardado-Calvo, P, Sharma, A, Rey, F.A. | 登録日 | 2017-02-02 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.9 Å) | 主引用文献 | Covalently linked dengue virus envelope glycoprotein dimers reduce exposure of the immunodominant fusion loop epitope. Nat Commun, 8, 2017
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5N0W
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6T5B
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![BU of 6t5b by Molmil](/molmil-images/mine/6t5b) | KRasG12C ligand complex | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Phillips, C. | 登録日 | 2019-10-15 | 公開日 | 2020-02-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
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