7LPQ
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![BU of 7lpq by Molmil](/molmil-images/mine/7lpq) | Crystal structure of Cryptococcus neoformans sterylglucosidase 1 with hit 9 | 分子名称: | Cytoplasmic protein, GLYCEROL, MAGNESIUM ION, ... | 著者 | Pereira de Sa, N, Del Poeta, M, Airola, M.V. | 登録日 | 2021-02-12 | 公開日 | 2021-09-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Structure and inhibition of Cryptococcus neoformans sterylglucosidase to develop antifungal agents. Nat Commun, 12, 2021
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5FPI
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7ZFX
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![BU of 7zfx by Molmil](/molmil-images/mine/7zfx) | VDR complex with Aromatic-D-Ring Analog | 分子名称: | (1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... | 著者 | Rochel, N. | 登録日 | 2022-04-01 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3. J.Med.Chem., 65, 2022
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8TJT
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![BU of 8tjt by Molmil](/molmil-images/mine/8tjt) | The Fab fragment of an anti-glucagon receptor (GCGR) antibody | 分子名称: | anti-GCGR Fab heavy chain, anti-GCGR Fab light chain | 著者 | Dai, J, Carter, P.J, Sudhamsu, J, Kung, J. | 登録日 | 2023-07-24 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Variable domain mutational analysis to probe the molecular mechanisms of high viscosity of an IgG 1 antibody. Mabs, 16, 2024
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7LDU
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5WOS
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5FRO
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![BU of 5fro by Molmil](/molmil-images/mine/5fro) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ446 (compound 4f) | 分子名称: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ... | 著者 | Maskell, D.P, Pye, V.E, Cherepanov, P. | 登録日 | 2015-12-18 | 公開日 | 2016-02-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases. Acs Chem.Biol., 11, 2016
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7ZTB
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6R5N
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6GZT
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5HHY
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![BU of 5hhy by Molmil](/molmil-images/mine/5hhy) | Structure of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) showing X-Ray induced reduction of PLP internal aldimine to 4'-deoxy-piridoxine-phosphate (PLR) | 分子名称: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Serine--pyruvate aminotransferase | 著者 | Giardina, G, Cutruzzola, F, Borri Voltattorni, C, Cellini, B, Montioli, R. | 登録日 | 2016-01-11 | 公開日 | 2017-01-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Radiation damage at the active site of human alanine:glyoxylate aminotransferase reveals that the cofactor position is finely tuned during catalysis. Sci Rep, 7, 2017
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7A4V
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7QZD
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![BU of 7qzd by Molmil](/molmil-images/mine/7qzd) | Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikF with an engineered HMA domain of Pikp-1 (Pikp-SNK-EKE) from rice (Oryza sativa) | 分子名称: | Avr-Pik, Resistance protein Pikp-1 | 著者 | Maidment, J.H.R, Franceschetti, M, Longya, A, Banfield, M.J. | 登録日 | 2022-01-31 | 公開日 | 2022-06-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Effector target-guided engineering of an integrated domain expands the disease resistance profile of a rice NLR immune receptor. Elife, 12, 2023
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7LDW
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7A2H
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![BU of 7a2h by Molmil](/molmil-images/mine/7a2h) | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-imidazo[4,5-b]pyridine | 分子名称: | 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine, Casein kinase II subunit alpha' | 著者 | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | 登録日 | 2020-08-18 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase. Bioorg.Chem., 106, 2021
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5HIA
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![BU of 5hia by Molmil](/molmil-images/mine/5hia) | Human hypoxanthine-guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine | 分子名称: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid | 著者 | Guddat, L.W, Keough, D.T, Rejman, D. | 登録日 | 2016-01-11 | 公開日 | 2017-01-18 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.773 Å) | 主引用文献 | Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics. ACS Chem. Biol., 2017
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6I8W
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![BU of 6i8w by Molmil](/molmil-images/mine/6i8w) | Crystal structure of a membrane phospholipase A, a novel bacterial virulence factor | 分子名称: | Alpha/beta fold hydrolase, CARBON DIOXIDE, ISOPROPYL ALCOHOL, ... | 著者 | Granzin, J, Batra-Safferling, R. | 登録日 | 2018-11-21 | 公開日 | 2019-11-27 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural, mechanistic, and physiological insights into phospholipase A-mediated membrane phospholipid degradation in Pseudomonas aeruginosa. Elife, 11, 2022
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7LDC
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5TW6
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![BU of 5tw6 by Molmil](/molmil-images/mine/5tw6) | CTX-M-14 P167S:E166A mutant with acylated ceftazidime molecule | 分子名称: | 1,2-ETHANEDIOL, ACYLATED CEFTAZIDIME, Beta-lactamase | 著者 | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | 登録日 | 2016-11-11 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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7ZFS
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![BU of 7zfs by Molmil](/molmil-images/mine/7zfs) | BRD4 in complex with FragLite32 | 分子名称: | 1,2-ETHANEDIOL, 4-bromanyl-1,2-dimethoxy-benzene, Bromodomain-containing protein 4, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-04-01 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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6R6T
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![BU of 6r6t by Molmil](/molmil-images/mine/6r6t) | Crystal structure of mouse cis-aconitate decarboxylase | 分子名称: | Cis-aconitate decarboxylase | 著者 | Lukat, P, Chen, F, Saile, K, Buessow, K, Pessler, F, Blankenfeldt, W. | 登録日 | 2019-03-28 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.535 Å) | 主引用文献 | Crystal structure ofcis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis. Proc.Natl.Acad.Sci.USA, 116, 2019
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7LY1
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7A41
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![BU of 7a41 by Molmil](/molmil-images/mine/7a41) | MALT1 in complex with a NVS-MALT1 chemical probe | 分子名称: | DIMETHYL SULFOXIDE, Mucosa-associated lymphoid tissue lymphoma translocation protein 1, ~{N}-[(1~{S})-1-[4-[[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{N}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide | 著者 | Renatus, M. | 登録日 | 2020-08-19 | 公開日 | 2020-12-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | MALT1 in complex with a NVS-MALT1 chemical probe Not Published
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7ZFG
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![BU of 7zfg by Molmil](/molmil-images/mine/7zfg) | VDR complex with aromatic D-ring analog | 分子名称: | (1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... | 著者 | Rochel, N. | 登録日 | 2022-04-01 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3. J.Med.Chem., 65, 2022
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6R7B
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![BU of 6r7b by Molmil](/molmil-images/mine/6r7b) | Crystal structure of Csx1 in complex with cyclic oligoadenylate cOA4 conformation 1 | 分子名称: | CRISPR-associated (Cas) DxTHG family, RNA (5'-R(P*AP*AP*AP*A)-3') | 著者 | Molina, R, Montoya, G, Sofos, N, Stella, S. | 登録日 | 2019-03-28 | 公開日 | 2019-10-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | 主引用文献 | Structure of Csx1-cOA4complex reveals the basis of RNA decay in Type III-B CRISPR-Cas. Nat Commun, 10, 2019
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