1GEU
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![BU of 1geu by Molmil](/molmil-images/mine/1geu) | ANATOMY OF AN ENGINEERED NAD-BINDING SITE | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Mittl, P.R.E, Schulz, G.E. | Deposit date: | 1994-01-18 | Release date: | 1994-11-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anatomy of an engineered NAD-binding site. Protein Sci., 3, 1994
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5III
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![BU of 5iii by Molmil](/molmil-images/mine/5iii) | Crystal structure of the pre-catalytic ternary complex of DNA polymerase lambda with a templating 8-oxo-dG and an incoming dATP | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*(DOC))-3'), DNA (5'-D(*CP*GP*GP*CP*(8OG)P*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Burak, M.J, Guja, K.E, Garcia-Diaz, M. | Deposit date: | 2016-03-01 | Release date: | 2016-08-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG. Embo J., 35, 2016
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5IK7
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![BU of 5ik7 by Molmil](/molmil-images/mine/5ik7) | Laminin A2LG45 I-form, Apo. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Briggs, D.C, Hohenester, E, Campbell, K.P. | Deposit date: | 2016-03-03 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of laminin binding to the LARGE glycans on dystroglycan. Nat.Chem.Biol., 12, 2016
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3IAL
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![BU of 3ial by Molmil](/molmil-images/mine/3ial) | Giardia lamblia Prolyl-tRNA synthetase in complex with prolyl-adenylate | Descriptor: | 5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine, GLYCEROL, Prolyl-tRNA synthetase | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2009-07-14 | Release date: | 2009-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the prolyl-tRNA synthetase from the eukaryotic pathogen Giardia lamblia. Acta Crystallogr.,Sect.D, 68, 2012
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4H1T
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![BU of 4h1t by Molmil](/molmil-images/mine/4h1t) | X-RAY Structure of the Complex VchUPh with Phosphate ion at 1.92A Resolution. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Sotnichenko, S.E, Betzel, C, Mikhailov, A.M. | Deposit date: | 2012-09-11 | Release date: | 2013-09-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.924 Å) | Cite: | X-RAY Structure of the Complex VchUPh with Phosphate ion at 1.92A Resolution. TO BE PUBLISHED
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6CVJ
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![BU of 6cvj by Molmil](/molmil-images/mine/6cvj) | |
5U2B
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![BU of 5u2b by Molmil](/molmil-images/mine/5u2b) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol, without a coactivator peptide | Descriptor: | (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor | Authors: | Nwachukwu, J.C, Nowak, J, Carlson, K.E, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-11-30 | Release date: | 2017-04-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural and Molecular Mechanisms of Cytokine-Mediated Endocrine Resistance in Human Breast Cancer Cells. Mol. Cell, 65, 2017
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5IK4
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![BU of 5ik4 by Molmil](/molmil-images/mine/5ik4) | Laminin A2LG45 C-form, Apo. | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Briggs, D.C, Hohenester, E, Campbell, K.P. | Deposit date: | 2016-03-03 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Structural basis of laminin binding to the LARGE glycans on dystroglycan. Nat.Chem.Biol., 12, 2016
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5E9Z
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![BU of 5e9z by Molmil](/molmil-images/mine/5e9z) | Cytochrome P450 BM3 mutant M11 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, FE (II) ION, ... | Authors: | Capoferri, L, Leth, R, ter Haar, E, Mohanty, A.K, Grootenhuis, D.J, Vottero, E, Commandeur, J.N.M, Vermeulen, N.P.E, Jorgensen, F.S, Olsen, L, Geerke, D.P. | Deposit date: | 2015-10-15 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations. Proteins, 84, 2016
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1DIM
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![BU of 1dim by Molmil](/molmil-images/mine/1dim) | SIALIDASE FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH EPANA INHIBITOR | Descriptor: | (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, POTASSIUM ION, SIALIDASE | Authors: | Garman, E.F, Crennell, S.C, Vimr, E.R, Laver, W.G, Taylor, G.L. | Deposit date: | 1996-04-23 | Release date: | 1996-12-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structures of Salmonella typhimurium LT2 neuraminidase and its complexes with three inhibitors at high resolution. J.Mol.Biol., 259, 1996
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6CY6
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![BU of 6cy6 by Molmil](/molmil-images/mine/6cy6) | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Escherichia coli in complex with tris(hydroxymethyl)aminomethane. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-04-04 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Analysis of crystalline and solution states of ligand-free spermidine N-acetyltransferase (SpeG) from Escherichia coli. Acta Crystallogr D Struct Biol, 75, 2019
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5U7E
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![BU of 5u7e by Molmil](/molmil-images/mine/5u7e) | |
3M2U
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![BU of 3m2u by Molmil](/molmil-images/mine/3m2u) | Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues | Descriptor: | 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M. | Deposit date: | 2010-03-08 | Release date: | 2010-09-15 | Last modified: | 2017-03-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues. Biochemistry, 49, 2010
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1GIL
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6D1O
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![BU of 6d1o by Molmil](/molmil-images/mine/6d1o) | FT_5 dioxygenase apoenzyme | Descriptor: | (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase | Authors: | Rydel, T.J, Halls, C.E. | Deposit date: | 2018-04-12 | Release date: | 2018-08-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops. Pest Manag. Sci., 75, 2019
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6N0N
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![BU of 6n0n by Molmil](/molmil-images/mine/6n0n) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ574 | Descriptor: | 1,2-ETHANEDIOL, 4-methylbenzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-11-07 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.477 Å) | Cite: | Crystal structure of Tdp1 catalytic domain To Be Published
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6D31
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![BU of 6d31 by Molmil](/molmil-images/mine/6d31) | Structure of human Usb1 with adenosine 5'-monophosphate | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Nomura, Y, Montemayor, E.J, Butcher, S.E. | Deposit date: | 2018-04-14 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural and mechanistic basis for preferential deadenylation of U6 snRNA by Usb1. Nucleic Acids Res., 46, 2018
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5A7P
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![BU of 5a7p by Molmil](/molmil-images/mine/5a7p) | Crystal structure of human JMJD2A in complex with compound 36 | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | Deposit date: | 2015-07-09 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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1GET
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![BU of 1get by Molmil](/molmil-images/mine/1get) | ANATOMY OF AN ENGINEERED NAD-BINDING SITE | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Mittl, P.R.E, Schulz, G.E. | Deposit date: | 1994-01-18 | Release date: | 1994-11-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Anatomy of an engineered NAD-binding site. Protein Sci., 3, 1994
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5AJH
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![BU of 5ajh by Molmil](/molmil-images/mine/5ajh) | Crystal structure of Fusarium oxysporum cutinase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CUTINASE | Authors: | Dimarogona, M, Nikolaivits, E, Kanelli, M, Christakopoulos, P, Sandgren, M, Topakas, E. | Deposit date: | 2015-02-24 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Functional Studies of a Fusarium Oxysporum Cutinase with Polyethylene Terephthalate Modification Potential. Biochim.Biophys.Acta, 1850, 2015
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4C2I
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![BU of 4c2i by Molmil](/molmil-images/mine/4c2i) | Cryo-EM structure of Dengue virus serotype 1 complexed with Fab fragments of human antibody 1F4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | Authors: | Fibriansah, G, Tan, J.L, de Alwis, R, Smith, S.A, Ng, T.-S, Kostyuchenko, V.A, Ibarra, K.D, Harris, E, de Silva, A, Crowe Junior, J.E, Lok, S.-M. | Deposit date: | 2013-08-18 | Release date: | 2014-01-29 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | A Potent Anti-Dengue Human Antibody Preferentially Recognizes the Conformation of E Protein Monomers Assembled on the Virus Surface. Embo Mol.Med., 6, 2014
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5ACH
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![BU of 5ach by Molmil](/molmil-images/mine/5ach) | X-ray Structure of LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Frandsen, K.E.H, Poulsen, J.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2015-08-17 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases. Nat. Chem. Biol., 12, 2016
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3FP6
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![BU of 3fp6 by Molmil](/molmil-images/mine/3fp6) | Anionic trypsin in complex with bovine pancreatic trypsin inhibitor (BPTI) determined to the 1.49 A resolution limit | Descriptor: | 1,2-ETHANEDIOL, Anionic trypsin-2, CALCIUM ION, ... | Authors: | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | Deposit date: | 2009-01-04 | Release date: | 2009-02-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structure of a serine protease poised to resynthesize a peptide bond. Proc.Natl.Acad.Sci.USA, 106, 2009
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2GRT
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![BU of 2grt by Molmil](/molmil-images/mine/2grt) | HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED GLUTATHIONE COMPLEX | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, OXIDIZED GLUTATHIONE DISULFIDE | Authors: | Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F. | Deposit date: | 1997-02-12 | Release date: | 1997-08-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity. Biochemistry, 36, 1997
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5A81
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![BU of 5a81 by Molmil](/molmil-images/mine/5a81) | Crystal structure of human ATAD2 bromodomain in complex with 8-(3R,4R) -3-(cyclohexylmethoxy)piperidin-4-yl-amino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one | Descriptor: | (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one, 1,2-ETHANEDIOL, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ... | Authors: | Chung, C, Bamborough, P, Demont, E. | Deposit date: | 2015-07-11 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors. J.Med.Chem., 58, 2015
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