4REK
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![BU of 4rek by Molmil](/molmil-images/mine/4rek) | Crystal structure and charge density studies of cholesterol oxidase from Brevibacterium sterolicum at 0.74 ultra-high resolution | Descriptor: | Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION | Authors: | Zarychta, B, Lyubimov, A, Ahmed, M, Munshi, P, Guillot, B, Vrielink, A. | Deposit date: | 2014-09-23 | Release date: | 2015-04-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.74 Å) | Cite: | Cholesterol oxidase: ultrahigh-resolution crystal structure and multipolar atom model-based analysis. Acta Crystallogr.,Sect.D, 71, 2015
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4RF5
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![BU of 4rf5 by Molmil](/molmil-images/mine/4rf5) | Crystal structure of ketoreductase from Lactobacillus kefir, E145S mutant | Descriptor: | GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase | Authors: | Tang, Y, Tibrewal, N, Cascio, D. | Deposit date: | 2014-09-24 | Release date: | 2015-09-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.596 Å) | Cite: | Origins of stereoselectivity in evolved ketoreductases. Proc.Natl.Acad.Sci.USA, 112, 2015
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5MZG
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![BU of 5mzg by Molmil](/molmil-images/mine/5mzg) | Crystal structure of mouse MTH1 in complex with TH588 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION, ... | Authors: | Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P. | Deposit date: | 2017-01-31 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity. Biochemistry, 57, 2018
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5T98
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![BU of 5t98 by Molmil](/molmil-images/mine/5t98) | Crystal structure of BuGH2Awt | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2016-09-09 | Release date: | 2017-09-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont. Nat Commun, 9, 2018
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8ANC
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8KGY
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![BU of 8kgy by Molmil](/molmil-images/mine/8kgy) | Human glutamate dehydrogenase I | Descriptor: | Glutamate dehydrogenase 1, mitochondrial | Authors: | Su, M.-Y. | Deposit date: | 2023-08-20 | Release date: | 2023-10-25 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Cryo-EM structure of the KLHL22 E3 ligase bound to an oligomeric metabolic enzyme. Structure, 31, 2023
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8ASL
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![BU of 8asl by Molmil](/molmil-images/mine/8asl) | RCII/PSI complex, class 2 | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Zhao, Z, Vercellino, I, Knoppova, J, Sobotka, R, Murray, J.W, Nixon, P.J, Sazanov, L.A, Komenda, J. | Deposit date: | 2022-08-19 | Release date: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | The Ycf48 accessory factor occupies the site of the oxygen-evolving manganese cluster during photosystem II biogenesis. Nat Commun, 14, 2023
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5TA9
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4J8S
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![BU of 4j8s by Molmil](/molmil-images/mine/4j8s) | Crystal structure of human CNOT1 MIF4G domain in complex with a TTP peptide | Descriptor: | CCR4-NOT transcription complex subunit 1, Tristetraprolin | Authors: | Frank, F, Fabian, M.R, Rouya, C, Siddiqui, N, Lai, W.S, Karetnikov, A, Blackshear, P.J, Sonenberg, N, Nagar, B. | Deposit date: | 2013-02-14 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural basis for the recruitment of the human CCR4-NOT deadenylase complex by tristetraprolin. Nat.Struct.Mol.Biol., 20, 2013
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3MIA
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![BU of 3mia by Molmil](/molmil-images/mine/3mia) | Crystal structure of HIV-1 Tat complexed with ATP-bound human P-TEFb | Descriptor: | Cell division protein kinase 9, Cyclin-T1, MAGNESIUM ION, ... | Authors: | Tahirov, T.H, Babayeva, N.D, Varzavand, K, Cooper, J.J, Sedore, S.C, Price, D.H. | Deposit date: | 2010-04-09 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of HIV-1 Tat complexed with human P-TEFb. Nature, 465, 2010
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5SV8
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![BU of 5sv8 by Molmil](/molmil-images/mine/5sv8) | Crystal Structure of the catalytic nucleophile and surface cysteine mutant of VvEG16 in complex with a xyloglucan oligosaccharide | Descriptor: | alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, probable xyloglucan endotransglucosylase/hydrolase protein 19 | Authors: | McGregor, N.G.S, Tung, C.C, Van Petegem, F, Brumer, H. | Deposit date: | 2016-08-05 | Release date: | 2016-09-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.588 Å) | Cite: | Crystallographic insight into the evolutionary origins of xyloglucan endotransglycosylases and endohydrolases. Plant J., 89, 2017
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5CG9
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![BU of 5cg9 by Molmil](/molmil-images/mine/5cg9) | NgTET1 in complex with 5mC DNA in space group P3221 | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, DNA (5'-D(*TP*GP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*G)-3'), ... | Authors: | Hashimoto, H, Pais, J.E, Dai, N, Zhang, X, Zheng, Y, Cheng, X. | Deposit date: | 2015-07-09 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.693 Å) | Cite: | Structure of Naegleria Tet-like dioxygenase (NgTet1) in complexes with a reaction intermediate 5-hydroxymethylcytosine DNA. Nucleic Acids Res., 43, 2015
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5T61
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![BU of 5t61 by Molmil](/molmil-images/mine/5t61) | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, TRICLINIC FORM AT 2.55 A | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, HYDROSULFURIC ACID, ... | Authors: | Wagner, T, Ermler, U, Shima, S. | Deposit date: | 2016-09-01 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters. Science, 354, 2016
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4R27
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![BU of 4r27 by Molmil](/molmil-images/mine/4r27) | Crystal structure of beta-glycosidase BGL167 | Descriptor: | Glycoside hydrolase | Authors: | Park, S.J, Choi, J.M, Kyeong, H.H, Kim, S.G, Kim, H.S. | Deposit date: | 2014-08-09 | Release date: | 2015-05-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Rational design of a beta-glycosidase with high regiospecificity for triterpenoid tailoring Chembiochem, 16, 2015
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5SVN
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![BU of 5svn by Molmil](/molmil-images/mine/5svn) | Structure of IDH2 mutant R172K | Descriptor: | DI(HYDROXYETHYL)ETHER, Isocitrate dehydrogenase [NADP], mitochondrial, ... | Authors: | Xie, X, Kulathila, R. | Deposit date: | 2016-08-06 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity. Structure, 25, 2017
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1S17
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![BU of 1s17 by Molmil](/molmil-images/mine/1s17) | Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors | Descriptor: | 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE, GLYCEROL, NICKEL (II) ION, ... | Authors: | Molteni, V, He, X, Nabakka, J, Yang, K, Kreusch, A, Gordon, P, Bursulaya, B, Ryder, N.S, Goldberg, R, He, Y. | Deposit date: | 2004-01-05 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of novel potent bicyclic peptide deformylase inhibitors Bioorg.Med.Chem.Lett., 14, 2004
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8ANB
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8OK0
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![BU of 8ok0 by Molmil](/molmil-images/mine/8ok0) | Crystal structure of human NQO1 in complex with the inhibitor PMSF | Descriptor: | ACETYL GROUP, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A. | Deposit date: | 2023-03-26 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural dynamics at the active site of the cancer-associated flavoenzyme NQO1 probed by chemical modification with PMSF. Febs Lett., 597, 2023
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5N4L
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![BU of 5n4l by Molmil](/molmil-images/mine/5n4l) | Rat ceruloplasmin trigonal form | Descriptor: | CALCIUM ION, COPPER (II) ION, Ceruloplasmin, ... | Authors: | Samygina, V.R, Sokolov, A.V, Bourenkov, G, Vasilyev, V.B. | Deposit date: | 2017-02-11 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Rat ceruloplasmin: a new labile copper binding site and zinc/copper mosaic. Metallomics, 9, 2017
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5TEQ
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4JDD
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5N05
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![BU of 5n05 by Molmil](/molmil-images/mine/5n05) | X-ray crystal structure of an LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Lo Leggio, L. | Deposit date: | 2017-02-02 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Unliganded and substrate bound structures of the cellooligosaccharide active lytic polysaccharide monooxygenase LsAA9A at low pH. Carbohydr. Res., 448, 2017
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5N6U
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6CPP
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![BU of 6cpp by Molmil](/molmil-images/mine/6cpp) | CRYSTAL STRUCTURES OF CYTOCHROME P450-CAM COMPLEXED WITH CAMPHANE, THIOCAMPHOR, AND ADAMANTANE: FACTORS CONTROLLING P450 SUBSTRATE HYDROXYLATION | Descriptor: | CAMPHANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Raag, R, Poulos, T.L. | Deposit date: | 1990-05-18 | Release date: | 1991-07-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation. Biochemistry, 30, 1991
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8JUA
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![BU of 8jua by Molmil](/molmil-images/mine/8jua) | Multifunctional cytochrome P450 enzyme IkaD from Streptomyces sp. ZJ306, in complex with epoxyikarugamycin | Descriptor: | (1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione, Cytochrome P450, FORMIC ACID, ... | Authors: | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | Deposit date: | 2023-06-26 | Release date: | 2023-11-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.00001121 Å) | Cite: | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl., 62, 2023
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