1WLF
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![BU of 1wlf by Molmil](/molmil-images/mine/1wlf) | Structure of the N-terminal domain of PEX1 AAA-ATPase: Characterization of a putative adaptor-binding domain | Descriptor: | Peroxisome biogenesis factor 1, SULFATE ION | Authors: | Shiozawa, K, Maita, N, Tomii, K, Seto, A, Goda, N, Tochio, H, Akiyama, Y, Shimizu, T, Shirakawa, M, Hiroaki, H. | Deposit date: | 2004-06-25 | Release date: | 2004-09-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of the N-terminal Domain of PEX1 AAA-ATPase: CHARACTERIZATION OF A PUTATIVE ADAPTOR-BINDING DOMAIN J.Biol.Chem., 279, 2004
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6A8U
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![BU of 6a8u by Molmil](/molmil-images/mine/6a8u) | PhoQ sensor domain (wild type): analysis of internal cavity | Descriptor: | Sensor protein PhoQ | Authors: | Yoshitani, K, Ishii, E, Taniguchi, K, Sugimoto, H, Shiro, Y, Mori, H, Akiyama, Y, Kato, A, Utsumi, R, Eguchi, Y. | Deposit date: | 2018-07-10 | Release date: | 2019-01-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Identification of an internal cavity in the PhoQ sensor domain for PhoQ activity and SafA-mediated control. Biosci. Biotechnol. Biochem., 83, 2019
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3B45
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![BU of 3b45 by Molmil](/molmil-images/mine/3b45) | Crystal structure of GlpG at 1.9A resolution | Descriptor: | glpG, nonyl beta-D-glucopyranoside | Authors: | Wang, Y, Maegawa, S, Akiyama, Y, Ha, Y. | Deposit date: | 2007-10-23 | Release date: | 2008-01-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The role of L1 loop in the mechanism of rhomboid intramembrane protease GlpG. J.Mol.Biol., 374, 2007
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3B44
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![BU of 3b44 by Molmil](/molmil-images/mine/3b44) | Crystal structure of GlpG W136A mutant | Descriptor: | glpG, nonyl beta-D-glucopyranoside | Authors: | Wang, Y, Maegawa, S, Akiyama, Y, Ha, Y. | Deposit date: | 2007-10-23 | Release date: | 2008-01-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The role of L1 loop in the mechanism of rhomboid intramembrane protease GlpG. J.Mol.Biol., 374, 2007
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6A8V
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![BU of 6a8v by Molmil](/molmil-images/mine/6a8v) | PhoQ sensor domain (D179R mutant): analysis of internal cavity | Descriptor: | Sensor protein PhoQ | Authors: | Yoshitani, K, Ishii, E, Taniguchi, K, Sugimoto, H, Shiro, Y, Mori, H, Akiyama, Y, Kato, A, Utsumi, R, Eguchi, Y. | Deposit date: | 2018-07-10 | Release date: | 2019-01-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of an internal cavity in the PhoQ sensor domain for PhoQ activity and SafA-mediated control. Biosci. Biotechnol. Biochem., 83, 2019
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6KZA
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![BU of 6kza by Molmil](/molmil-images/mine/6kza) | Crystal structure of the complex of the interaction domains of E. coli DnaB helicase and DnaC helicase loader | Descriptor: | DNA replication protein DnaC, Replicative DNA helicase | Authors: | Nagata, K, Okada, A, Ohtsuka, J, Ohkuri, T, Akama, Y, Sakiyama, Y, Miyazaki, E, Horita, S, Katayama, T, Ueda, T, Tanokura, M. | Deposit date: | 2019-09-23 | Release date: | 2019-11-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the complex of the interaction domains of Escherichia coli DnaB helicase and DnaC helicase loader: structural basis implying a distortion-accumulation mechanism for the DnaB ring opening caused by DnaC binding. J.Biochem., 167, 2020
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6AIT
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![BU of 6ait by Molmil](/molmil-images/mine/6ait) | Crystal structure of E. coli BepA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-barrel assembly-enhancing protease, ZINC ION | Authors: | Umar, M.S.M, Tanaka, Y, Kamikubo, H, Tsukazaki, T. | Deposit date: | 2018-08-24 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Structural Basis for the Function of the beta-Barrel Assembly-Enhancing Protease BepA. J. Mol. Biol., 431, 2019
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3UBB
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![BU of 3ubb by Molmil](/molmil-images/mine/3ubb) | |
7CQD
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![BU of 7cqd by Molmil](/molmil-images/mine/7cqd) | The NZ-1 Fab complexed with the PDZ tandem fragment of A. aeolicus S2P homolog with the PA14 tag inserted between the residues 235 and 236 | Descriptor: | Heavy chain of antigen binding fragment, Fab of NZ-1, Light chain of antigen binding fragment, ... | Authors: | Tamura-Sakaguchi, R, Aruga, R, Nogi, T. | Deposit date: | 2020-08-10 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Moving toward generalizable NZ-1 labeling for 3D structure determination with optimized epitope-tag insertion. Acta Crystallogr D Struct Biol, 77, 2021
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7CQC
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![BU of 7cqc by Molmil](/molmil-images/mine/7cqc) | The NZ-1 Fab complexed with the PDZ tandem fragment of A. aeolicus S2P homolog with the PA14 tag inserted between the residues 181 and 184 | Descriptor: | Heavy chain of antigen binding fragment, Fab of NZ-1, Light chain of antigen binding fragment, ... | Authors: | Aruga, R, Tamura-Sakaguchi, R, Nogi, T. | Deposit date: | 2020-08-10 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Moving toward generalizable NZ-1 labeling for 3D structure determination with optimized epitope-tag insertion. Acta Crystallogr D Struct Biol, 77, 2021
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5B1S
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![BU of 5b1s by Molmil](/molmil-images/mine/5b1s) | Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2-(2-fluorophenyl)ethanamine | Descriptor: | 2-(2-fluorophenyl)ethanamine, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ... | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2015-12-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | In silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas disease Sci Rep, 7, 2017
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8WSM
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![BU of 8wsm by Molmil](/molmil-images/mine/8wsm) | NLRP3 NACHT domain in complex with compound 32 | Descriptor: | 2-[[2-methyl-5-(trifluoromethyl)phenyl]amino]-~{N}-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Akai, S, Orita, T, Adachi, T. | Deposit date: | 2023-10-17 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Novel NLRP3 Inflammasome Inhibitors Composed of an Oxazole Scaffold Bearing an Acylsulfamide. Acs Med.Chem.Lett., 14, 2023
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8ZH4
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![BU of 8zh4 by Molmil](/molmil-images/mine/8zh4) | HIV-1 integrase core domain in complex with compound 5 | Descriptor: | (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ... | Authors: | Furuzono, T, Orita, T, Nomura, A, Adachi, T. | Deposit date: | 2024-05-10 | Release date: | 2024-07-10 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety. Bioorg.Med.Chem.Lett., 110, 2024
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8ZHA
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![BU of 8zha by Molmil](/molmil-images/mine/8zha) | HIV-1 integrase core domain in complex with compound 15 | Descriptor: | (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ... | Authors: | Furuzono, T, Orita, T, Nomura, A, Adachi, T. | Deposit date: | 2024-05-10 | Release date: | 2024-07-10 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety. Bioorg.Med.Chem.Lett., 110, 2024
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5AZV
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![BU of 5azv by Molmil](/molmil-images/mine/5azv) | Crystal structure of hPPARgamma ligand binding domain complexed with 17-oxoDHA | Descriptor: | (4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Egawa, D, Itoh, T, Yamamoto, K. | Deposit date: | 2015-10-23 | Release date: | 2016-07-06 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 17-OxoDHA Is a PPAR alpha/gamma Dual Covalent Modifier and Agonist Acs Chem.Biol., 2016
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5AZT
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![BU of 5azt by Molmil](/molmil-images/mine/5azt) | Ternary complex of hPPARalpha ligand binding domain, 17-oxoDHA and a SRC1 peptide | Descriptor: | (4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid, 15-meric peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha | Authors: | Egawa, D, Itoh, T, Yamamoto, K. | Deposit date: | 2015-10-23 | Release date: | 2016-07-06 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | 17-OxoDHA Is a PPAR alpha/gamma Dual Covalent Modifier and Agonist Acs Chem.Biol., 2016
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7W71
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7W70
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![BU of 7w70 by Molmil](/molmil-images/mine/7w70) | |
7W6X
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7W6Y
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![BU of 7w6y by Molmil](/molmil-images/mine/7w6y) | Crystal structure of Kangiella koreensis RseP orthologue in complex with batimastat in space group P1 | Descriptor: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, Anti sigma-E protein, RseA, ... | Authors: | Imaizumi, Y, Takanuki, K, Nogi, T. | Deposit date: | 2021-12-02 | Release date: | 2022-09-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP. Sci Adv, 8, 2022
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7W6Z
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5Y4Q
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![BU of 5y4q by Molmil](/molmil-images/mine/5y4q) | Crystal structure of Trypanosoma cruzi spermidine synthase in complex with N-(4-methoxyphenyl)quinolin-4-amine | Descriptor: | 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, N-(4-methoxyphenyl)quinolin-4-amine, Spermidine synthase, ... | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2017-08-04 | Release date: | 2018-08-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro , and X-ray Crystallography. Acs Omega, 8, 2023
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5Y4P
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![BU of 5y4p by Molmil](/molmil-images/mine/5y4p) | Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 5-methoxy-2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenol | Descriptor: | 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, 5-methoxy-2-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenol, Spermidine synthase, ... | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2017-08-04 | Release date: | 2018-08-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro , and X-ray Crystallography. Acs Omega, 8, 2023
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3WKL
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![BU of 3wkl by Molmil](/molmil-images/mine/3wkl) | |
3WKM
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![BU of 3wkm by Molmil](/molmil-images/mine/3wkm) | The periplasmic PDZ tandem fragment of the RseP homologue from Aquifex aeolicus in complex with the Fab fragment | Descriptor: | MOUSE IGG1-KAPPA FAB (HEAVY CHAIN), MOUSE IGG1-KAPPA FAB (LIGHT CHAIN), Putative zinc metalloprotease aq_1964 | Authors: | Nogi, T, Tabata, S, Tamura-kawakami, K, Takagi, J. | Deposit date: | 2013-10-28 | Release date: | 2013-12-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Structure-Based Model of Substrate Discrimination by a Noncanonical PDZ Tandem in the Intramembrane-Cleaving Protease RseP Structure, 22, 2013
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