5AWQ
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![BU of 5awq by Molmil](/molmil-images/mine/5awq) | Arthrobacter globiformis T6 isomalto-dextranse complexed with panose | Descriptor: | Isomaltodextranase, PHOSPHATE ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ... | Authors: | Tonozuka, T. | Deposit date: | 2015-07-08 | Release date: | 2015-09-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure and Mutational Analysis of Isomalto-dextranase, a Member of Glycoside Hydrolase Family 27 J.Biol.Chem., 290, 2015
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7BO4
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![BU of 7bo4 by Molmil](/molmil-images/mine/7bo4) | Human Butyrylcholinesterase in complex with 3-(2-(butyl(2-cycloheptylethyl)amino)ethyl)-1H-indol-6-ol | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, ... | Authors: | Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S. | Deposit date: | 2021-01-23 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series. Eur.J.Med.Chem., 234, 2022
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2O84
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![BU of 2o84 by Molmil](/molmil-images/mine/2o84) | Crystal structure of K206E mutant of N-lobe human transferrin | Descriptor: | CARBONATE ION, FE (III) ION, POTASSIUM ION, ... | Authors: | Baker, H.M, Nurizzo, D, Mason, A.B, Baker, E.N. | Deposit date: | 2006-12-12 | Release date: | 2007-01-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of two mutants that probe the role in iron release of the dilysine pair in the N-lobe of human transferrin. Acta Crystallogr.,Sect.D, 63, 2007
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2O8E
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![BU of 2o8e by Molmil](/molmil-images/mine/2o8e) | human MutSalpha (MSH2/MSH6) bound to a G T mispair, with ADP bound to MSH2 only | Descriptor: | 5'-D(*CP*CP*TP*AP*GP*CP*CP*TP*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*GP*GP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | Deposit date: | 2006-12-12 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex. Mol.Cell, 26, 2007
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5B5E
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![BU of 5b5e by Molmil](/molmil-images/mine/5b5e) | Crystal structure analysis of Photosystem II complex | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Tanaka, A, Fukushima, Y, Kamiya, N. | Deposit date: | 2016-05-02 | Release date: | 2017-02-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Two Different Structures of the Oxygen-Evolving Complex in the Same Polypeptide Frameworks of Photosystem II J. Am. Chem. Soc., 139, 2017
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2WON
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![BU of 2won by Molmil](/molmil-images/mine/2won) | Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (wild-type). | Descriptor: | 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Phillips, C, Irving, S.L, Knoechel, T, Ringrose, H. | Deposit date: | 2009-07-27 | Release date: | 2010-08-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Lersivirine: A Non-Nucleoside Reverse Transcriptase Inhibitor with Activity Against Drug- Resistant Human Immunodeficiency Virus-1. Antimicrob.Agents Chemother., 54, 2010
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6TO4
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![BU of 6to4 by Molmil](/molmil-images/mine/6to4) | |
5B2X
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![BU of 5b2x by Molmil](/molmil-images/mine/5b2x) | Crystal Structure of P450BM3 mutant with N-perfluoroheptanoyl-L-tryptophan | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | Authors: | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2016-02-03 | Release date: | 2017-02-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of P450BM3 with decoy molecules to be published
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4COP
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![BU of 4cop by Molmil](/molmil-images/mine/4cop) | HIV-1 capsid C-terminal domain mutant (Y169S) | Descriptor: | CAPSID PROTEIN P24 | Authors: | Bharat, T.A.M, Castillo-Menendez, L.R, Hagen, W.J.H, Lux, V, Igonet, S, Schorb, M, Schur, F.K.M, Krausslich, H.-G, Briggs, J.A.G. | Deposit date: | 2014-01-29 | Release date: | 2014-06-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Cryo-Electron Microscopy of Tubular Arrays of HIV-1 Gag Resolves Structures Essential for Immature Virus Assembly. Proc.Natl.Acad.Sci.USA, 111, 2014
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5WXM
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![BU of 5wxm by Molmil](/molmil-images/mine/5wxm) | Crystal structure of the Imp3 and Mpp10 complex | Descriptor: | SULFATE ION, U3 small nucleolar RNA-associated protein MPP10, U3 small nucleolar ribonucleoprotein protein IMP3 | Authors: | Ye, K, Zheng, S. | Deposit date: | 2017-01-07 | Release date: | 2017-06-28 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Molecular architecture of the 90S small subunit pre-ribosome Elife, 6, 2017
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2NTG
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![BU of 2ntg by Molmil](/molmil-images/mine/2ntg) | Structure of Spin-labeled T4 Lysozyme Mutant T115R7 | Descriptor: | BETA-MERCAPTOETHANOL, Lysozyme, S-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | Authors: | Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. | Deposit date: | 2006-11-07 | Release date: | 2007-06-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme. Protein Sci., 16, 2007
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2ODW
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![BU of 2odw by Molmil](/molmil-images/mine/2odw) | MSrecA-ATP-GAMA-S complex | Descriptor: | PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein recA | Authors: | Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2006-12-27 | Release date: | 2007-06-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA J.Mol.Biol., 367, 2007
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2HVN
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![BU of 2hvn by Molmil](/molmil-images/mine/2hvn) | Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation after one day (1day_cocryst) | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2006-07-29 | Release date: | 2006-10-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions. J.Mol.Biol., 363, 2006
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2NTT
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![BU of 2ntt by Molmil](/molmil-images/mine/2ntt) | Crystal Structure of SEK | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Staphylococcal enterotoxin K | Authors: | Gunther, S, Varma, A.K, Moza, B, Sundberg, E.J. | Deposit date: | 2006-11-08 | Release date: | 2007-06-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.561 Å) | Cite: | A novel loop domain in superantigens extends their T cell receptor recognition site J.Mol.Biol., 371, 2007
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2HVO
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![BU of 2hvo by Molmil](/molmil-images/mine/2hvo) | Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation (10days_cocryst) | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2006-07-29 | Release date: | 2006-10-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions. J.Mol.Biol., 363, 2006
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5X0Z
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![BU of 5x0z by Molmil](/molmil-images/mine/5x0z) | Crystal structure of FliM-SpeE complex from H. pylori | Descriptor: | CITRATE ANION, Flagellar motor switch protein (FliM), Polyamine aminopropyltransferase | Authors: | Zhang, H, Au, S.W.N. | Deposit date: | 2017-01-23 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A putative spermidine synthase interacts with flagellar switch protein FliM and regulates motility in Helicobacter pylori Mol. Microbiol., 106, 2017
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5WUR
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![BU of 5wur by Molmil](/molmil-images/mine/5wur) | Crystal structure of SigW in complex with its anti-sigma RsiW, an oxdized form | Descriptor: | Anti-sigma-W factor RsiW, ECF RNA polymerase sigma factor SigW | Authors: | Devkota, S.R, Kwon, E, Ha, S.C, Kim, D.Y. | Deposit date: | 2016-12-20 | Release date: | 2017-03-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insights into the regulation of Bacillus subtilis SigW activity by anti-sigma RsiW PLoS ONE, 12, 2017
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6TGX
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![BU of 6tgx by Molmil](/molmil-images/mine/6tgx) | Crystal structure of Arabidopsis thaliana NAA60 in complex with a bisubstrate analogue | Descriptor: | Acyl-CoA N-acyltransferases (NAT) superfamily protein, CARBOXYMETHYL COENZYME *A, MET-VAL-ASN-ALA | Authors: | Layer, D, Kopp, J, Lapouge, K, Sinning, I. | Deposit date: | 2019-11-18 | Release date: | 2020-06-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The Arabidopsis N alpha -acetyltransferase NAA60 locates to the plasma membrane and is vital for the high salt stress response. New Phytol., 228, 2020
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6HF7
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![BU of 6hf7 by Molmil](/molmil-images/mine/6hf7) | Crystal structure of the adenylate kinase from Methanothermococcus thermolithotrophicus co-crystallized with Tb-Xo4 | Descriptor: | Adenylate kinase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Engilberge, S, Wagner, T, Santoni, G, Breyton, C, Shima, S, Franzetti, B, Riobe, F, Maury, O, Girard, E. | Deposit date: | 2018-08-21 | Release date: | 2019-06-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Protein crystal structure determination with the crystallophore, a nucleating and phasing agent. J.Appl.Crystallogr., 52, 2019
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6HAC
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![BU of 6hac by Molmil](/molmil-images/mine/6hac) | Crystal structure of [Fe]-hydrogenase (Hmd) holoenzyme from Methanococcus aeolicus (open form) | Descriptor: | 5,10-methenyltetrahydromethanopterin hydrogenase, GLYCEROL, PENTAETHYLENE GLYCOL, ... | Authors: | Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S. | Deposit date: | 2018-08-07 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The atomic-resolution crystal structure of activated [Fe]-hydrogenase Nat Catal, 2019
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2WQR
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![BU of 2wqr by Molmil](/molmil-images/mine/2wqr) | The high resolution crystal structure of IgE Fc | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, IG EPSILON CHAIN C REGION, ... | Authors: | Dhaliwal, B, Sutton, B.J, Beavil, A.J. | Deposit date: | 2009-08-26 | Release date: | 2010-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational Changes in Ige Contribute to its Uniquely Slow Dissociation Rate from Receptor Fceri Nat.Struct.Mol.Biol., 18, 2011
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5WFL
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![BU of 5wfl by Molmil](/molmil-images/mine/5wfl) | Kelch domain of human Keap1 in open unliganded conformation | Descriptor: | Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | Deposit date: | 2017-07-12 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry, 59, 2020
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5COX
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![BU of 5cox by Molmil](/molmil-images/mine/5cox) | |
2OMG
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![BU of 2omg by Molmil](/molmil-images/mine/2omg) | |
6T92
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![BU of 6t92 by Molmil](/molmil-images/mine/6t92) | NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex of N120C mutant protein with the reduced form of the cofactor NADH and the substrate formate at a secondary site. | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A. | Deposit date: | 2019-10-25 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme. J.Struct.Biol., 212, 2020
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