3OQ1
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![BU of 3oq1 by Molmil](/molmil-images/mine/3oq1) | Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Diarylsulfone Inhibitor | Descriptor: | 3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Wang, Z, Sudom, A, Walker, N.P. | Deposit date: | 2010-09-02 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The synthesis and SAR of novel diarylsulfone 11beta-HSD1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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3P76
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![BU of 3p76 by Molmil](/molmil-images/mine/3p76) | X-ray crystal structure of Aquifex aeolicus LpxC complexed SCH1379777 | Descriptor: | IMIDAZOLE, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | Authors: | Orth, P. | Deposit date: | 2010-10-12 | Release date: | 2011-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Design and synthesis of potent Gram-negative specific LpxC inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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1G66
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![BU of 1g66 by Molmil](/molmil-images/mine/1g66) | ACETYLXYLAN ESTERASE AT 0.90 ANGSTROM RESOLUTION | Descriptor: | ACETYL XYLAN ESTERASE II, GLYCEROL, SULFATE ION | Authors: | Ghosh, D, Sawicki, M, Lala, P, Erman, M, Pangborn, W, Eyzaguirre, J, Gutierrez, R, Jornvall, H, Thiel, D.J. | Deposit date: | 2000-11-03 | Release date: | 2001-01-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Multiple conformations of catalytic serine and histidine in acetylxylan esterase at 0.90 A. J.Biol.Chem., 276, 2001
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3P89
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![BU of 3p89 by Molmil](/molmil-images/mine/3p89) | FXR bound to a quinolinecarboxylic acid | Descriptor: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ... | Authors: | Madauss, K.P, Williams, S.P, Deaton, D.N. | Deposit date: | 2010-10-13 | Release date: | 2011-08-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene. Bioorg.Med.Chem.Lett., 21, 2011
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1S32
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![BU of 1s32 by Molmil](/molmil-images/mine/1s32) | Molecular Recognition of the Nucleosomal 'Supergroove' | Descriptor: | 2-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAMIDE, 3-AMINO-(DIMETHYLPROPYLAMINE), 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID, ... | Authors: | Edayathumangalam, R.S, Weyermann, P, Gottesfeld, J.M, Dervan, P.B, Luger, K. | Deposit date: | 2004-01-12 | Release date: | 2004-05-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular Recognition of the Nucleosomal 'Supergroove' Proc.Natl.Acad.Sci.USA, 101, 2004
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6G7B
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![BU of 6g7b by Molmil](/molmil-images/mine/6g7b) | Nt2 domain of the TssA component from the type VI secretion system of Aeromonas hydrophila. | Descriptor: | ImpA-related domain protein | Authors: | Dix, S.D, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | Deposit date: | 2018-04-05 | Release date: | 2018-11-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural insights into the function of type VI secretion system TssA subunits. Nat Commun, 9, 2018
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4EHX
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![BU of 4ehx by Molmil](/molmil-images/mine/4ehx) | Crystal structure of LpxK from Aquifex aeolicus at 1.9 angstrom resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Emptage, R.P, Daughtry, K.D, Pemble IV, C.W, Raetz, C.R.H. | Deposit date: | 2012-04-04 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of LpxK, the 4'-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface. Proc.Natl.Acad.Sci.USA, 109, 2012
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6PYF
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![BU of 6pyf by Molmil](/molmil-images/mine/6pyf) | Sex Hormone-binding globulin mutant E176K in complex with Estradiol | Descriptor: | CALCIUM ION, ESTRADIOL, Sex hormone-binding globulin | Authors: | Round, P.W, Wu, T.S, Das, S, Van Petegem, F. | Deposit date: | 2019-07-29 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Molecular interactions between sex hormone-binding globulin and nonsteroidal ligands that enhance androgen activity. J.Biol.Chem., 295, 2020
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1S1T
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![BU of 1s1t by Molmil](/molmil-images/mine/1s1t) | Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with UC-781 | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, PHOSPHATE ION, Reverse transcriptase | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors J.Mol.Biol., 336, 2004
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7UFN
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![BU of 7ufn by Molmil](/molmil-images/mine/7ufn) | |
8D9Y
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![BU of 8d9y by Molmil](/molmil-images/mine/8d9y) | Crystal structure of Taipan alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Centi-3FTX-D09 Fab heavy chain, ... | Authors: | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | Deposit date: | 2022-06-12 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Venom protection by antibody from a snakebite hyperimmune subject To Be Published
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1K9T
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![BU of 1k9t by Molmil](/molmil-images/mine/1k9t) | Chitinase a complexed with tetra-N-acetylchitotriose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A | Authors: | Prag, G, Tucker, P.A, Oppenheim, A.B. | Deposit date: | 2001-10-30 | Release date: | 2002-11-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Complex Structures of Chitinase A Mutant with Oligonag Provide Insight Into the Enzymatic Mechanism To be Published
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5K7T
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![BU of 5k7t by Molmil](/molmil-images/mine/5k7t) | MicroED structure of thermolysin at 2.5 A resolution | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ... | Authors: | de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T. | Deposit date: | 2016-05-26 | Release date: | 2017-04-05 | Last modified: | 2024-02-28 | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | Cite: | Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED. Nat. Methods, 14, 2017
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5K7Q
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![BU of 5k7q by Molmil](/molmil-images/mine/5k7q) | MicroED structure of thaumatin at 2.5 A resolution | Descriptor: | Thaumatin-1 | Authors: | de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T. | Deposit date: | 2016-05-26 | Release date: | 2017-04-05 | Last modified: | 2018-08-22 | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | Cite: | Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED. Nat. Methods, 14, 2017
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4QPX
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![BU of 4qpx by Molmil](/molmil-images/mine/4qpx) | NV polymerase post-incorporation-like complex | Descriptor: | GLYCEROL, MANGANESE (II) ION, Polyprotein, ... | Authors: | Zamyatkin, D.F, Parra, F, Grochulski, P, Ng, K.K.S. | Deposit date: | 2014-06-25 | Release date: | 2015-04-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure of a backtracked state reveals conformational changes similar to the state following nucleotide incorporation in human norovirus polymerase. Acta Crystallogr.,Sect.D, 70, 2014
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8D9Z
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![BU of 8d9z by Molmil](/molmil-images/mine/8d9z) | Crystal structure of Cobra alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | Descriptor: | ACETATE ION, Centi-3FTX-D09 Fab heavy chain, Centi-3FTX-D09 Fab light chain, ... | Authors: | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | Deposit date: | 2022-06-12 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Venom protection by antibody from a snakebite hyperimmune subject To Be Published
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6N3K
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![BU of 6n3k by Molmil](/molmil-images/mine/6n3k) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 1 | Descriptor: | Epoxide hydrolase, N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea | Authors: | de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | Deposit date: | 2018-11-15 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors. Int. J. Biol. Macromol., 129, 2019
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8DA0
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![BU of 8da0 by Molmil](/molmil-images/mine/8da0) | Crystal structure of Mamba alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | Descriptor: | ACETATE ION, Alpha-elapitoxin-Dpp2d, Centi-3FTX-D09 Fab heavy chain, ... | Authors: | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | Deposit date: | 2022-06-12 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Venom protection by antibody from a snakebite hyperimmune subject To Be Published
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3P4G
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![BU of 3p4g by Molmil](/molmil-images/mine/3p4g) | X-ray crystal structure of a hyperactive, Ca2+-dependent, beta-helical antifreeze protein from an Antarctic bacterium | Descriptor: | ACETATE ION, Antifreeze protein, CALCIUM ION, ... | Authors: | Garnham, C.P, Campbell, R.L, Davies, P.L. | Deposit date: | 2010-10-06 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Anchored clathrate waters bind antifreeze proteins to ice. Proc.Natl.Acad.Sci.USA, 108, 2011
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7A2H
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![BU of 7a2h by Molmil](/molmil-images/mine/7a2h) | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-imidazo[4,5-b]pyridine | Descriptor: | 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine, Casein kinase II subunit alpha' | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | Deposit date: | 2020-08-18 | Release date: | 2020-12-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase. Bioorg.Chem., 106, 2021
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5EKA
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![BU of 5eka by Molmil](/molmil-images/mine/5eka) | HU DNA-binding protein from Thermus thermophilus | Descriptor: | DNA-binding protein HU, GLYCEROL | Authors: | Papageorgiou, A, Adam, P, Stavros, P, Nounesis, G, Meijers, R, Petratos, K, Vorgias, C.E. | Deposit date: | 2015-11-03 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | HU histone-like DNA-binding protein from Thermus thermophilus: structural and evolutionary analyses. Extremophiles, 20, 2016
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8DFY
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![BU of 8dfy by Molmil](/molmil-images/mine/8dfy) | Crystal structure of Human BTN2A1 Ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, ... | Authors: | Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P. | Deposit date: | 2022-06-22 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.552 Å) | Cite: | Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers To Be Published
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7K14
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![BU of 7k14 by Molmil](/molmil-images/mine/7k14) | Ternary soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN and methanesulfonate | Descriptor: | Alkanesulfonate monooxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Liew, J.J.M, Dowling, D.P, El Saudi, I.M. | Deposit date: | 2020-09-07 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer. J.Biol.Chem., 297, 2021
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1S1X
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![BU of 1s1x by Molmil](/molmil-images/mine/1s1x) | Crystal structure of V108I mutant HIV-1 reverse transcriptase in complex with nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, Reverse transcriptase | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors J.Mol.Biol., 336, 2004
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7JYB
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![BU of 7jyb by Molmil](/molmil-images/mine/7jyb) | Binary soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN | Descriptor: | Alkanesulfonate monooxygenase, FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, ... | Authors: | Liew, J.J.M, Dowling, D.P, El Saudi, I.M. | Deposit date: | 2020-08-30 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer. J.Biol.Chem., 297, 2021
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