7C0U
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![BU of 7c0u by Molmil](/molmil-images/mine/7c0u) | Crystal structure of a dinucleotide-binding protein (S127A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-01 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function. Febs J., 288, 2021
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7C0S
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![BU of 7c0s by Molmil](/molmil-images/mine/7c0s) | Crystal structure of a dinucleotide-binding protein (F79A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form II) | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CARBONATE ION, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-01 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function. Febs J., 288, 2021
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7C0R
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![BU of 7c0r by Molmil](/molmil-images/mine/7c0r) | Crystal structure of a dinucleotide-binding protein (F79A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form I) | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-01 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function. Febs J., 288, 2021
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7C0T
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![BU of 7c0t by Molmil](/molmil-images/mine/7c0t) | Crystal structure of a dinucleotide-binding protein (N81A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CARBON DIOXIDE, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-01 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function. Febs J., 288, 2021
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7C0F
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![BU of 7c0f by Molmil](/molmil-images/mine/7c0f) | Crystal structure of a dinucleotide-binding protein of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form I) | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CARBON DIOXIDE, ... | Authors: | Kanaujia, S.P, Chandravanshi, M. | Deposit date: | 2020-05-01 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function. Febs J., 288, 2021
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7C0W
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![BU of 7c0w by Molmil](/molmil-images/mine/7c0w) | Crystal structure of a dinucleotide-binding protein (Y224A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form II) | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, GLYCEROL, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-01 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function. Febs J., 288, 2021
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2V8P
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![BU of 2v8p by Molmil](/molmil-images/mine/2v8p) | IspE in complex with ADP and CDP | Descriptor: | 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Sgraja, T, Alphey, M.S, Hunter, W.N. | Deposit date: | 2007-08-13 | Release date: | 2007-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery. FEBS J., 275, 2008
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5EL0
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![BU of 5el0 by Molmil](/molmil-images/mine/5el0) | |
2V6T
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![BU of 2v6t by Molmil](/molmil-images/mine/2v6t) | Crystal structure of a complex of pterin-4a-carbinolamine dehydratase from Toxoplasma gondii with 7,8-dihydrobiopterin | Descriptor: | 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, PTERIN-4A-CARBINOLAMINE DEHYDRATASE | Authors: | Cameron, S, Fyffe, S.A, Hunter, W.N. | Deposit date: | 2007-07-20 | Release date: | 2008-07-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structures of Toxoplasma Gondii Pterin-4A-Carbinolamine Dehydratase and Comparisons with Mammalian and Parasite Orthologues. Mol.Biochem.Parasitol., 158, 2008
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2V7U
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![BU of 2v7u by Molmil](/molmil-images/mine/2v7u) | |
1YI7
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![BU of 1yi7 by Molmil](/molmil-images/mine/1yi7) | Beta-d-xylosidase (selenomethionine) XYND from Clostridium Acetobutylicum | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-xylosidase, family 43 glycosyl hydrolase, ... | Authors: | Teplyakov, A, Fedorov, E, Gilliland, G.L, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2005-01-11 | Release date: | 2005-02-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of beta-xylosidase from clostridium acetobutylicum To be Published
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7TDU
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![BU of 7tdu by Molmil](/molmil-images/mine/7tdu) | Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-03 | Release date: | 2022-03-02 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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3OPZ
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![BU of 3opz by Molmil](/molmil-images/mine/3opz) | Crystal structure of trans-sialidase in complex with the Fab fragment of a neutralizing monoclonal IgG antibody | Descriptor: | 1,4-DIETHYLENE DIOXIDE, SODIUM ION, Trans-sialidase, ... | Authors: | Larrieux, N, Muia, R, Campetella, O, Buschiazzo, A. | Deposit date: | 2010-09-02 | Release date: | 2011-11-09 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Trypanosoma cruzi trans-sialidase in complex with a neutralizing antibody: structure/function studies towards the rational design of inhibitors. Plos Pathog., 8, 2012
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4RDM
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![BU of 4rdm by Molmil](/molmil-images/mine/4rdm) | Crystal structure of R.NgoAVII restriction endonuclease B3 domain with cognate DNA | Descriptor: | DNA (5'-D(*CP*CP*TP*AP*AP*GP*CP*GP*GP*CP*AP*AP*TP*CP*C)-3)', DNA (5'-D(*GP*GP*GP*AP*TP*TP*GP*CP*CP*GP*CP*TP*TP*AP*G)-3)', Restriction endonuclease R.NgoVII, ... | Authors: | Tamulaitiene, G, Silanskas, A, Grazulis, S, Zaremba, M, Siksnys, V. | Deposit date: | 2014-09-19 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the R-protein of the multisubunit ATP-dependent restriction endonuclease NgoAVII. Nucleic Acids Res., 42, 2014
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2VEG
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![BU of 2veg by Molmil](/molmil-images/mine/2veg) | |
2W0G
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![BU of 2w0g by Molmil](/molmil-images/mine/2w0g) | |
2WD7
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![BU of 2wd7 by Molmil](/molmil-images/mine/2wd7) | PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00066750 | Descriptor: | 6-chloro-1H-benzimidazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE | Authors: | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | Deposit date: | 2009-03-20 | Release date: | 2009-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening. J.Med.Chem., 52, 2009
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2VW2
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![BU of 2vw2 by Molmil](/molmil-images/mine/2vw2) | Crystal structure of the NanB sialidase from Streptococcus pneumoniae | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, SIALIDASE B | Authors: | Xu, G, Potter, J.A, Russell, R.J.M, Oggioni, M.R, Andrew, P.W, Taylor, G.L. | Deposit date: | 2008-06-13 | Release date: | 2008-06-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the Nanb Sialidase from Streptococcus Pneumoniae J.Mol.Biol., 384, 2008
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2W88
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![BU of 2w88 by Molmil](/molmil-images/mine/2w88) | |
2WNO
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![BU of 2wno by Molmil](/molmil-images/mine/2wno) | X-ray Structure of CUB_C domain from TSG-6 | Descriptor: | CALCIUM ION, COBALT (II) ION, TUMOR NECROSIS FACTOR-INDUCIBLE GENE 6 PROTEIN | Authors: | Briggs, D.C, Day, A.J. | Deposit date: | 2009-07-13 | Release date: | 2010-09-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Metal Ion-Dependent Heavy Chain Transfer Activity of Tsg-6 Mediates Assembly of the Cumulus-Oocyte Matrix. J.Biol.Chem., 290, 2015
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2X4A
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![BU of 2x4a by Molmil](/molmil-images/mine/2x4a) | |
2X66
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![BU of 2x66 by Molmil](/molmil-images/mine/2x66) | The binary complex of PrnB (the second enzyme in pyrrolnitrin biosynthesis pathway) and cyanide | Descriptor: | CYANIDE ION, PRNB, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Zhu, X, van pee, K.-H, Naismith, J.H. | Deposit date: | 2010-02-15 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The Ternary Complex of Prnb (the Second Enzyme in Pyrrolnitrin Biosynthesis Pathway), Tryptophan and Cyanide Yields New Mechanistic Insights Into the Indolamine Dioxygenase Superfamily. J.Biol.Chem., 285, 2010
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5VKO
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![BU of 5vko by Molmil](/molmil-images/mine/5vko) | SPT6 tSH2-RPB1 1468-1500 pT1471, pS1493 | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, ISOPROPYL ALCOHOL, Transcription elongation factor SPT6 | Authors: | Sdano, M.A, Whitby, F.G, Hill, C.P. | Deposit date: | 2017-04-21 | Release date: | 2017-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A novel SH2 recognition mechanism recruits Spt6 to the doubly phosphorylated RNA polymerase II linker at sites of transcription. Elife, 6, 2017
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2WQ9
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![BU of 2wq9 by Molmil](/molmil-images/mine/2wq9) | Crystal Structure of RBP4 bound to Oleic Acid | Descriptor: | CHLORIDE ION, GLYCEROL, OLEIC ACID, ... | Authors: | Nanao, M, Mercer, D, Nguyen, L, Buckley, D, Stout, T.J. | Deposit date: | 2009-08-14 | Release date: | 2010-09-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of Rbp4 Bound to Oleic Acid To be Published
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2X81
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![BU of 2x81 by Molmil](/molmil-images/mine/2x81) | STRUCTURE OF AURORA A IN COMPLEX WITH MLN8054 | Descriptor: | 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Savory, W, Mueller, I, Mason, C.S, Lamers, M, Williams, D.H, Eyers, P.A. | Deposit date: | 2010-03-05 | Release date: | 2010-05-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Drug-Resistant Aurora a Mutants for Cellular Target Validation of the Small Molecule Kinase Inhibitors Mln8054 and Mln8237. Acs Chem.Biol., 5, 2010
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