5LZ9
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![BU of 5lz9 by Molmil](/molmil-images/mine/5lz9) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | Descriptor: | 2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ... | Authors: | Woolford, A, Day, P. | Deposit date: | 2016-09-29 | Release date: | 2016-12-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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6RTD
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![BU of 6rtd by Molmil](/molmil-images/mine/6rtd) | Dihydro-heme d1 dehydrogenase NirN in complex with DHE | Descriptor: | (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C, ... | Authors: | Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W. | Deposit date: | 2019-05-23 | Release date: | 2019-06-19 | Last modified: | 2019-08-28 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis. J.Mol.Biol., 431, 2019
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7SMZ
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![BU of 7smz by Molmil](/molmil-images/mine/7smz) | X-ray crystal structure of CYP142A3 from Mycobacterium Marinum in complex with 4-cholesten-3-one | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ... | Authors: | Ghith, A, Bruning, J.B, Bell, S.G. | Deposit date: | 2021-10-27 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum. Acs Infect Dis., 8, 2022
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8GER
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![BU of 8ger by Molmil](/molmil-images/mine/8ger) | E. eligens beta-glucuronidase bound to norquetiapine-glucuronide | Descriptor: | 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, Beta-glucuronidase | Authors: | Simpson, J.B, Lietzan, A.D, Redinbo, M.R. | Deposit date: | 2023-03-07 | Release date: | 2024-03-20 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics. Cell Host Microbe, 32, 2024
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5LUN
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![BU of 5lun by Molmil](/molmil-images/mine/5lun) | Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - P1 ultra-high resolution crystal form in complex with iron, N-oxalylglycine and arginine | Descriptor: | 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, FE (III) ION, ... | Authors: | McDonough, M.A, Zhang, Z, Schofield, C.J. | Deposit date: | 2016-09-09 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Structural and stereoelectronic insights into oxygenase-catalyzed formation of ethylene from 2-oxoglutarate. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6EVJ
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![BU of 6evj by Molmil](/molmil-images/mine/6evj) | |
7PF1
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![BU of 7pf1 by Molmil](/molmil-images/mine/7pf1) | UVC treated Human apoferritin | Descriptor: | CHLORIDE ION, Ferritin heavy chain, N-terminally processed, ... | Authors: | Renault, L, Depelteau, J.S, Briegel, A. | Deposit date: | 2021-08-11 | Release date: | 2022-01-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | UVC inactivation of pathogenic samples suitable for cryo-EM analysis. Commun Biol, 5, 2022
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6RTW
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![BU of 6rtw by Molmil](/molmil-images/mine/6rtw) | Crystal structure of the Patched-1 (PTCH1) ectodomain in complex with nanobody NB64 and cholesterol-hemisuccinate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Llama-derived nanobody NB64, ... | Authors: | Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C. | Deposit date: | 2019-05-27 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism. Nat.Chem.Biol., 15, 2019
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5M03
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![BU of 5m03 by Molmil](/molmil-images/mine/5m03) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin and 1,2-alpha-mannobiose | Descriptor: | (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | Deposit date: | 2016-10-03 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
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8SH3
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![BU of 8sh3 by Molmil](/molmil-images/mine/8sh3) | Pendrin in complex with iodide | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, IODIDE ION, ... | Authors: | Wang, L, Hoang, A, Zhou, M. | Deposit date: | 2023-04-13 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanism of anion exchange and small-molecule inhibition of pendrin. Nat Commun, 15, 2024
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6ESN
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![BU of 6esn by Molmil](/molmil-images/mine/6esn) | Ligand complex of RORg LBD | Descriptor: | (2~{R})-2-acetamido-~{N}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2017-10-23 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
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4XMB
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![BU of 4xmb by Molmil](/molmil-images/mine/4xmb) | Crystal structure of 2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide bound to human Keap1 Kelch domain | Descriptor: | 2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide, Kelch-like ECH-associated protein 1 | Authors: | Luciano, J.P, Ryuzoji, A.F, Mesecar, A.D. | Deposit date: | 2015-01-14 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.428 Å) | Cite: | Probing the structural requirements of non-electrophilic naphthalene-based Nrf2 activators. Eur.J.Med.Chem., 103, 2015
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6RVC
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![BU of 6rvc by Molmil](/molmil-images/mine/6rvc) | Crystal structure of Patched-1 ectodomain 2 (PTCH1-ECD2) in complex with nanobody 75 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody NB75, Protein patched homolog 1, ... | Authors: | Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C. | Deposit date: | 2019-05-31 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism. Nat.Chem.Biol., 15, 2019
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4XMN
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![BU of 4xmn by Molmil](/molmil-images/mine/4xmn) | Structure of the yeast coat nucleoporin complex, space group P212121 | Descriptor: | Antibody 87 heavy chain, Antibody 87 light chain, Nucleoporin NUP120, ... | Authors: | Stuwe, T, Correia, A.R, Lin, D.H, Paduch, M, Lu, V.T, Kossiakoff, A.A, Hoelz, A. | Deposit date: | 2015-01-14 | Release date: | 2015-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (7.6 Å) | Cite: | Nuclear pores. Architecture of the nuclear pore complex coat. Science, 347, 2015
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4XMO
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![BU of 4xmo by Molmil](/molmil-images/mine/4xmo) | Crystal structure of c-Met in complex with (R)-5-(8-fluoro-3-(1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methylisoxazole | Descriptor: | 6-{(1R)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline, Hepatocyte growth factor receptor | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2015-01-14 | Release date: | 2015-03-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Potent and Selective 8-Fluorotriazolopyridine c-Met Inhibitors. J.Med.Chem., 58, 2015
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8SGW
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![BU of 8sgw by Molmil](/molmil-images/mine/8sgw) | Pendrin in complex with chloride | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHLORIDE ION, CHOLESTEROL, ... | Authors: | Wang, L, Hoang, A, Zhou, M. | Deposit date: | 2023-04-13 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Mechanism of anion exchange and small-molecule inhibition of pendrin. Nat Commun, 15, 2024
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8SHC
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![BU of 8shc by Molmil](/molmil-images/mine/8shc) | Pendrin in complex with Niflumic acid | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, CHLORIDE ION, ... | Authors: | Wang, L, Hoang, A, Zhou, M. | Deposit date: | 2023-04-13 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of anion exchange and small-molecule inhibition of pendrin. Nat Commun, 15, 2024
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8SIE
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![BU of 8sie by Molmil](/molmil-images/mine/8sie) | Pendrin in complex with bicarbonate | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, BICARBONATE ION, CHOLESTEROL, ... | Authors: | Wang, L, Hoang, A, Zhou, M. | Deposit date: | 2023-04-16 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Mechanism of anion exchange and small-molecule inhibition of pendrin. Nat Commun, 15, 2024
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6F1S
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![BU of 6f1s by Molmil](/molmil-images/mine/6f1s) | C-terminal domain of CglI restriction endonuclease H subunit | Descriptor: | 1,2-ETHANEDIOL, CglIIR protein, FORMIC ACID | Authors: | Tamulaitiene, G, Grigaitis, R, Zaremba, M, Silanskas, A. | Deposit date: | 2017-11-23 | Release date: | 2018-02-14 | Last modified: | 2019-01-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The H-subunit of the restriction endonuclease CglI contains a prototype DEAD-Z1 helicase-like motor. Nucleic Acids Res., 46, 2018
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6OTM
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![BU of 6otm by Molmil](/molmil-images/mine/6otm) | |
6EVF
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![BU of 6evf by Molmil](/molmil-images/mine/6evf) | Structure of E285D S. cerevisiae Fdc1 with prFMN in the hydroxylated form | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | Authors: | Bailey, S.S, David, L, Payne, K.A.P. | Deposit date: | 2017-11-01 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis. J. Biol. Chem., 293, 2018
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6F1X
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![BU of 6f1x by Molmil](/molmil-images/mine/6f1x) | Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative) | Descriptor: | 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | Deposit date: | 2017-11-23 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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6UPN
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![BU of 6upn by Molmil](/molmil-images/mine/6upn) | Endophilin B1 helical scaffold | Descriptor: | Endophilin-B1 | Authors: | Bhatt, V.S, Sundborger-Lunna, A.C. | Deposit date: | 2019-10-17 | Release date: | 2020-04-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Amphipathic Motifs Regulate N-BAR Protein Endophilin B1 Auto-inhibition and Drive Membrane Remodeling. Structure, 29, 2021
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6EW8
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5M0N
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![BU of 5m0n by Molmil](/molmil-images/mine/5m0n) | Crystal structure of cytochrome P450 OleT in complex with formate | Descriptor: | FORMIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | Deposit date: | 2016-10-05 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE. J. Biol. Chem., 292, 2017
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