3KAH
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![BU of 3kah by Molmil](/molmil-images/mine/3kah) | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | Descriptor: | 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | Deposit date: | 2009-10-19 | Release date: | 2009-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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6SVY
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![BU of 6svy by Molmil](/molmil-images/mine/6svy) | Crystal structure of Neprilysin in complex with Sampatrilat-ASP. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, Sampatrilat-Asp, ... | Authors: | Cozier, G.E, Acharya, K.R, Sharma, U. | Deposit date: | 2019-09-19 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme. J.Med.Chem., 63, 2020
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8FB9
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![BU of 8fb9 by Molmil](/molmil-images/mine/8fb9) | LH2-LH3 antenna in anti parallel configuration embedded in a nanodisc | Descriptor: | BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ... | Authors: | Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y. | Deposit date: | 2022-11-29 | Release date: | 2023-07-19 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (6.4 Å) | Cite: | Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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3K0F
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![BU of 3k0f by Molmil](/molmil-images/mine/3k0f) | Crystal structure of the phosphorylation-site double mutant T426A/T432A of the KaiC circadian clock protein | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION | Authors: | Pattanayek, R, Egli, M, Pattanayek, S. | Deposit date: | 2009-09-24 | Release date: | 2010-03-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of KaiC Circadian Clock Mutant Proteins: A New Phosphorylation Site at T426 and Mechanisms of Kinase, ATPase and Phosphatase. Plos One, 4, 2009
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4DPR
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![BU of 4dpr by Molmil](/molmil-images/mine/4dpr) | Structure of human Leukotriene A4 hydrolase in complex with inhibitor captopril | Descriptor: | ACETIC ACID, GLYCEROL, L-CAPTOPRIL, ... | Authors: | Stsiapanava, A, Haeggstrom, J.Z, Rinaldo-Matthis, A. | Deposit date: | 2012-02-14 | Release date: | 2013-02-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Capturing LTA4hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4synthesis. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8FDM
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![BU of 8fdm by Molmil](/molmil-images/mine/8fdm) | Human Hemoglobin in Complex with Nitrosomethane | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | Deposit date: | 2022-12-03 | Release date: | 2023-07-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin. J.Inorg.Biochem., 246, 2023
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5ZLG
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![BU of 5zlg by Molmil](/molmil-images/mine/5zlg) | Human duodenal cytochrome b (Dcytb) in zinc ion and ascorbate bound form | Descriptor: | ASCORBIC ACID, Cytochrome b reductase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ganasen, M, Togashi, H, Mauk, G.A, Shiro, Y, Sawai, H, Sugimoto, H. | Deposit date: | 2018-03-27 | Release date: | 2018-10-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for promotion of duodenal iron absorption by enteric ferric reductase with ascorbate. Commun Biol, 1, 2018
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4DUG
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![BU of 4dug by Molmil](/molmil-images/mine/4dug) | Crystal Structure of Circadian Clock Protein KaiC E318A Mutant | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase kaiC, MAGNESIUM ION, ... | Authors: | Egli, M, Mori, T, Pattanayek, R, Xu, Y, Qin, X, Johnson, C.H. | Deposit date: | 2012-02-21 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.292 Å) | Cite: | Dephosphorylation of the Core Clock Protein KaiC in the Cyanobacterial KaiABC Circadian Oscillator Proceeds via an ATP Synthase Mechanism. Biochemistry, 51, 2012
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6NGA
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![BU of 6nga by Molmil](/molmil-images/mine/6nga) | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,6-difluorophenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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6NGK
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![BU of 6ngk by Molmil](/molmil-images/mine/6ngk) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)prop-1-yn-1-yl)-5-fluorophenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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6NGY
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![BU of 6ngy by Molmil](/molmil-images/mine/6ngy) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(2,3-difluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(2,3-difluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.928 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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6NHE
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![BU of 6nhe by Molmil](/molmil-images/mine/6nhe) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(2-((2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(5-{2-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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5YVH
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4DBU
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![BU of 4dbu by Molmil](/molmil-images/mine/4dbu) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid | Descriptor: | 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. | Deposit date: | 2012-01-16 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.528 Å) | Cite: | Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer. Bioorg.Med.Chem.Lett., 22, 2012
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3JCE
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![BU of 3jce by Molmil](/molmil-images/mine/3jce) | Structure of Escherichia coli EF4 in pretranslocational ribosomes (Pre EF4) | Descriptor: | 16S ribosomal RNA, 23 ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Zhang, D, Yan, K, Liu, G, Song, G, Luo, J, Shi, Y, Cheng, E, Wu, S, Jiang, T, Low, J, Gao, N, Qin, Y. | Deposit date: | 2015-12-01 | Release date: | 2016-01-13 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | EF4 disengages the peptidyl-tRNA CCA end and facilitates back-translocation on the 70S ribosome Nat. Struct. Mol. Biol., 23, 2016
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3OGC
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![BU of 3ogc by Molmil](/molmil-images/mine/3ogc) | KcsA E71A variant in presence of Na+ | Descriptor: | SODIUM ION, Voltage-gated potassium channel, antibody Fab fragment heavy chain, ... | Authors: | McCoy, J.G, Nimigean, C.M. | Deposit date: | 2010-08-16 | Release date: | 2011-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Mechanism for selectivity-inactivation coupling in KcsA potassium channels. Proc.Natl.Acad.Sci.USA, 108, 2011
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8ETJ
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![BU of 8etj by Molmil](/molmil-images/mine/8etj) | Fkbp39 associated 60S nascent ribosome State 2 | Descriptor: | 60S ribosomal protein L13, 60S ribosomal protein L14, 60S ribosomal protein L15-A, ... | Authors: | Zhou, X, Bilokapic, S, Deshmukh, A.A, Halic, M. | Deposit date: | 2022-10-17 | Release date: | 2022-11-30 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Chromatin localization of nucleophosmin organizes ribosome biogenesis. Mol.Cell, 82, 2022
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8ETC
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![BU of 8etc by Molmil](/molmil-images/mine/8etc) | Fkbp39 associated nascent 60S ribosome State 4 | Descriptor: | 60S ribosomal protein L13, 60S ribosomal protein L14, 60S ribosomal protein L15-A, ... | Authors: | Zhou, X, Bilokapic, S, Deshmukh, A.A, Halic, M. | Deposit date: | 2022-10-16 | Release date: | 2022-11-30 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Chromatin localization of nucleophosmin organizes ribosome biogenesis. Mol.Cell, 82, 2022
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5X1K
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![BU of 5x1k by Molmil](/molmil-images/mine/5x1k) | Vanillate/3-O-methylgallate O-demethylase, LigM, 3-O-methylgallate complex form | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methoxy-4,5-bis(oxidanyl)benzoic acid, ... | Authors: | Harada, A, Senda, T. | Deposit date: | 2017-01-26 | Release date: | 2017-05-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6 FEBS J., 284, 2017
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8F6C
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![BU of 8f6c by Molmil](/molmil-images/mine/8f6c) | E. coli cytochrome bo3 ubiquinol oxidase dimer | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ... | Authors: | Guo, Y, Karimullina, E, Borek, D, Savchenko, A. | Deposit date: | 2022-11-16 | Release date: | 2022-11-30 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Monomer and dimer structures of cytochrome bo 3 ubiquinol oxidase from Escherichia coli. Protein Sci., 32, 2023
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3OBZ
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3JD8
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![BU of 3jd8 by Molmil](/molmil-images/mine/3jd8) | cryo-EM structure of the full-length human NPC1 at 4.4 angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Gong, X, Qian, H.W, Zhou, X.H, Wu, J.P, Zhou, Q, Yan, N. | Deposit date: | 2016-05-01 | Release date: | 2016-06-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.43 Å) | Cite: | The structure of Niemann-Pick C1 protein To Be Published
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3OA5
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![BU of 3oa5 by Molmil](/molmil-images/mine/3oa5) | The structure of chi1, a chitinase from Yersinia entomophaga | Descriptor: | Chi1, GLYCEROL, NONAETHYLENE GLYCOL | Authors: | Busby, J.N, Lott, J.S, Hurst, M.R.H. | Deposit date: | 2010-08-04 | Release date: | 2011-08-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural analysis of Chi1 Chitinase from Yen-Tc: the multisubunit insecticidal ABC toxin complex of Yersinia entomophaga J.Mol.Biol., 415, 2012
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3R43
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![BU of 3r43 by Molmil](/molmil-images/mine/3r43) | AKR1C3 complexed with mefenamic acid | Descriptor: | 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C3, ... | Authors: | Squire, C.J, Teague, R.M, Yosaatmadja, L. | Deposit date: | 2011-03-17 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
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3K9K
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![BU of 3k9k by Molmil](/molmil-images/mine/3k9k) | Transposase domain of Metnase | Descriptor: | Histone-lysine N-methyltransferase SETMAR | Authors: | Goodwin, K.D, He, H, Imasaki, T, Lee, S.-H, Georgiadis, M.M. | Deposit date: | 2009-10-15 | Release date: | 2010-07-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of the human Hsmar1-derived transposase domain in the DNA repair enzyme Metnase. Biochemistry, 49, 2010
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