8HVP
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![BU of 8hvp by Molmil](/molmil-images/mine/8hvp) | STRUCTURE AT 2.5-ANGSTROMS RESOLUTION OF CHEMICALLY SYNTHESIZED HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE COMPLEXED WITH A HYDROXYETHYLENE*-BASED INHIBITOR | 分子名称: | HIV-1 PROTEASE, INHIBITOR VAL-SER-GLN-ASN-LEU-PSI(CH(OH)-CH2)-VAL-ILE-VAL (U-85548E) | 著者 | Jaskolski, M, Miller, M, Tomasselli, A.G, Sawyer, T.K, Staples, D.G, Heinrikson, R.L, Schneider, J, Kent, S.B.H, Wlodawer, A. | 登録日 | 1990-10-26 | 公開日 | 1993-10-31 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor. Biochemistry, 30, 1991
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7QXL
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![BU of 7qxl by Molmil](/molmil-images/mine/7qxl) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 77 | 分子名称: | 1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-26 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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6NAJ
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6VU4
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![BU of 6vu4 by Molmil](/molmil-images/mine/6vu4) | Structure of a beta-hairpin peptide mimic derived from Abeta 14-36 | 分子名称: | Beta-hairpin Amyloid-beta precursor peptide mimic, CHLORIDE ION, IODIDE ION | 著者 | Wierzbicki, M, Kreutzer, A, Samdin, T, Nowick, J.S. | 登録日 | 2020-02-14 | 公開日 | 2020-06-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.077 Å) | 主引用文献 | Effects of N-Terminal Residues on the Assembly of Constrained beta-Hairpin Peptides Derived from A beta. J.Am.Chem.Soc., 142, 2020
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8DB1
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![BU of 8db1 by Molmil](/molmil-images/mine/8db1) | Crystal structure of native DMATS1 prenyltransferase | 分子名称: | Dimethylallyltryptophan synthase 1, TRYPTOPHAN | 著者 | Eaton, S.A, Ronnebaum, T.A, Roose, B.W, Christianson, D.W. | 登録日 | 2022-06-14 | 公開日 | 2022-09-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi . Biochemistry, 61, 2022
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6WES
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![BU of 6wes by Molmil](/molmil-images/mine/6wes) | Crystal structure of the effector SnTox3 from Parastagonospora nodorum | 分子名称: | Tox3 | 著者 | Outram, M.A, Williams, S.J, Ericsson, D.J, Kobe, B, Solomon, P.S. | 登録日 | 2020-04-02 | 公開日 | 2020-11-04 | 最終更新日 | 2021-09-01 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | The crystal structure of SnTox3 from the necrotrophic fungus Parastagonospora nodorum reveals a unique effector fold and provides insight into Snn3 recognition and pro-domain protease processing of fungal effectors. New Phytol., 231, 2021
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6VV7
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![BU of 6vv7 by Molmil](/molmil-images/mine/6vv7) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136 | 分子名称: | 5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Ribeiro, J.A, Dias, M.V.B, Chavez-Pacheco, S.M. | 登録日 | 2020-02-17 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | 主引用文献 | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6VVZ
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![BU of 6vvz by Molmil](/molmil-images/mine/6vvz) | Mycobacterium tuberculosis RNAP S456L mutant transcription initiation intermediate structure with Sorangicin | 分子名称: | DNA (62-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ... | 著者 | Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A. | 登録日 | 2020-02-18 | 公開日 | 2020-10-21 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | 主引用文献 | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Q0W
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![BU of 6q0w by Molmil](/molmil-images/mine/6q0w) | Structure of DDB1-DDA1-DCAF15 complex bound to Indisulam and RBM39 | 分子名称: | DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ... | 著者 | Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S. | 登録日 | 2019-08-02 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15. Nat.Chem.Biol., 16, 2020
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6WGM
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![BU of 6wgm by Molmil](/molmil-images/mine/6wgm) | Crystal structure of a marine metagenome TRAP solute binding protein specific for pyroglutamate (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, scf7180008839099) in complex with co-purified pyroglutamate | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ... | 著者 | Fedorov, E, Vetting, M.W, Hogle, S.L, Dupont, C.L, Almo, S.C, Ghosh, A. | 登録日 | 2020-04-05 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, GOS_140), in complex with co-purified pyroglutamate To Be Published
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7QGT
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![BU of 7qgt by Molmil](/molmil-images/mine/7qgt) | Crystal structure of human cystathionine beta-synthase (delta516-525) in complex with AOAA. | 分子名称: | 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Hutchin, A, Kopec, J, Majtan, T, Zuhra, K, Szabo, C. | 登録日 | 2021-12-10 | 公開日 | 2022-10-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.691 Å) | 主引用文献 | H 2 S biogenesis by cystathionine beta-synthase: mechanism of inhibition by aminooxyacetic acid and unexpected role of serine. Cell.Mol.Life Sci., 79, 2022
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6PSU
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![BU of 6psu by Molmil](/molmil-images/mine/6psu) | Escherichia coli RNA polymerase promoter unwinding intermediate (TRPi2) with TraR and rpsT P2 promoter | 分子名称: | CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ... | 著者 | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | 登録日 | 2019-07-13 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Stepwise Promoter Melting by Bacterial RNA Polymerase. Mol.Cell, 78, 2020
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7OB7
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6WIC
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![BU of 6wic by Molmil](/molmil-images/mine/6wic) | Pre-catalytic quaternary complex of human Polymerase Mu on a complementary DNA double-strand break substrate | 分子名称: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Kaminski, A.M, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | 登録日 | 2020-04-09 | 公開日 | 2020-10-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural snapshots of human DNA polymerase mu engaged on a DNA double-strand break. Nat Commun, 11, 2020
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5N2W
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![BU of 5n2w by Molmil](/molmil-images/mine/5n2w) | WT-Parkin and pUB complex | 分子名称: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin,E3 ubiquitin-protein ligase parkin, Polyubiquitin-B, ... | 著者 | Kumar, A, Chaugule, V.K, Johnson, C, Toth, R, Sundaramoorthy, R, Knebel, A, Walden, H. | 登録日 | 2017-02-08 | 公開日 | 2017-04-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Parkin-phosphoubiquitin complex reveals cryptic ubiquitin-binding site required for RBR ligase activity. Nat. Struct. Mol. Biol., 24, 2017
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6NRU
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![BU of 6nru by Molmil](/molmil-images/mine/6nru) | Crystal Structure of the Alpha-ribazole Phosphatase from Shigella flexneri | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, CobC, ... | 著者 | Kim, Y, Gu, M, Shatsman, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2019-01-24 | 公開日 | 2019-03-06 | 最終更新日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (2.505 Å) | 主引用文献 | Crystal Structure of the Alpha-ribazole Phosphatase from Shigella flexneri To Be Published
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8PVA
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![BU of 8pva by Molmil](/molmil-images/mine/8pva) | Structure of bacterial ribosome determined by cryoEM at 100 keV | 分子名称: | 16S rRNA, 23S rRNA, 50S ribosomal protein L14, ... | 著者 | McMullan, G, Naydenova, K, Mihaylov, D, Peet, M.J, Wilson, H, Yamashita, K, Dickerson, J.L, Chen, S, Cannone, G, Lee, Y, Hutchings, K.A, Gittins, O, Sobhy, M, Wells, T, El-Gomati, M.M, Dalby, J, Meffert, M, Schulze-Briese, C, Henderson, R, Russo, C.J. | 登録日 | 2023-07-17 | 公開日 | 2023-11-29 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | 主引用文献 | Structure determination by cryoEM at 100 keV. Proc.Natl.Acad.Sci.USA, 120, 2023
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6PXI
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![BU of 6pxi by Molmil](/molmil-images/mine/6pxi) | The crystal structure of a singly capped HslUV complex with an axial pore plug and a HslU E257Q mutation | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV, ... | 著者 | Baytshtok, V, Grant, R.A, Sauer, R.T. | 登録日 | 2019-07-26 | 公開日 | 2020-07-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (3.447 Å) | 主引用文献 | Heat activates the AAA+ HslUV protease by melting an axial autoinhibitory plug. Cell Rep, 34, 2021
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6VO3
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![BU of 6vo3 by Molmil](/molmil-images/mine/6vo3) | AMC009 SOSIP.v4.2 in complex with PGV04 Fab | 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, AMC009 SOSIP.v4.2 envelope glycoprotein gp120, ... | 著者 | Cottrell, C.A, de Val, N, Ward, A.B. | 登録日 | 2020-01-29 | 公開日 | 2020-09-23 | 最終更新日 | 2020-12-09 | 実験手法 | ELECTRON MICROSCOPY (4.25 Å) | 主引用文献 | Neutralizing Antibody Responses Induced by HIV-1 Envelope Glycoprotein SOSIP Trimers Derived from Elite Neutralizers. J.Virol., 94, 2020
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6VIF
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![BU of 6vif by Molmil](/molmil-images/mine/6vif) | Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2 | 分子名称: | N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | 著者 | Cato, M.L, Ortlund, E.A. | 登録日 | 2020-01-13 | 公開日 | 2020-06-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition. Bioorg.Med.Chem.Lett., 30, 2020
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8G2V
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![BU of 8g2v by Molmil](/molmil-images/mine/8g2v) | Cryo-EM structure of recombinant human LECT2 amyloid fibril core | 分子名称: | Leukocyte cell-derived chemotaxin-2 | 著者 | Richards, L.S, Flores, M.D, Zink, S, Schibrowsky, N.A, Sawaya, M.R, Rodriguez, J.A. | 登録日 | 2023-02-06 | 公開日 | 2023-08-16 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.715 Å) | 主引用文献 | Cryo-EM structure of a human LECT2 amyloid fibril reveals a network of polar ladders at its core. Structure, 31, 2023
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5KAF
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![BU of 5kaf by Molmil](/molmil-images/mine/5kaf) | RT XFEL structure of Photosystem II in the dark state at 3.0 A resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | 登録日 | 2016-06-01 | 公開日 | 2016-11-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.00001 Å) | 主引用文献 | Structure of photosystem II and substrate binding at room temperature. Nature, 540, 2016
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6NTM
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![BU of 6ntm by Molmil](/molmil-images/mine/6ntm) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-232 in Complex with the Reactivator, HI-6 | 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, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | 著者 | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | 登録日 | 2019-01-29 | 公開日 | 2020-07-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.552 Å) | 主引用文献 | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents To Be Published
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6VL5
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![BU of 6vl5 by Molmil](/molmil-images/mine/6vl5) | |
5N9L
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![BU of 5n9l by Molmil](/molmil-images/mine/5n9l) | Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive dibenzofuran inhibitor TF (4b) | 分子名称: | (4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one, ACETATE ION, Casein kinase II subunit alpha, ... | 著者 | Schnitzler, A, Gratz, A, Bollacke, A, Weyrich, M, Kucklaender, U, Wuensch, B, Goetz, C, Niefind, K, Jose, J. | 登録日 | 2017-02-25 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | A pi-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors. Pharmaceuticals, 11, 2018
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