6G3M
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![BU of 6g3m by Molmil](/molmil-images/mine/6g3m) | Phosphotriesterase PTE_C23M_4 | Descriptor: | 1-ethyl-1-methyl-cyclohexane, CHLORIDE ION, FORMIC ACID, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-03-26 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.665 Å) | Cite: | Phosphotriesterase
PTE_C23M_4 To Be Published
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5O0I
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![BU of 5o0i by Molmil](/molmil-images/mine/5o0i) | ADP-dependent glucokinase from Pyrococcus horikoshii | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADP-dependent glucokinase, ... | Authors: | Grudnik, P, Dubin, G. | Deposit date: | 2017-05-16 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for ADP-dependent glucokinase inhibition by 8-bromo-substituted adenosine nucleotide. J. Biol. Chem., 293, 2018
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8DN9
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6VX9
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![BU of 6vx9 by Molmil](/molmil-images/mine/6vx9) | bestrophin-2 Ca2+- unbound state 1 (EGTA only) | Descriptor: | Bestrophin, CHLORIDE ION | Authors: | Owji, A.P, Zhao, Q, Ji, C, Kittredge, A, Hopiavuori, A, Fu, Z, Ward, N, Clarke, O, Shen, Y, Zhang, Y, Hendrickson, W.A, Yang, T. | Deposit date: | 2020-02-21 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.17 Å) | Cite: | Structural and functional characterization of the bestrophin-2 anion channel. Nat.Struct.Mol.Biol., 27, 2020
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3CRB
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![BU of 3crb by Molmil](/molmil-images/mine/3crb) | Crystal structure of the complex of C-lobe of lactoferrin with 2-chromenone at 2.6 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, COUMARIN, ... | Authors: | Vikram, G, Mir, R, Sinha, M, Singh, N, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2008-04-05 | Release date: | 2008-04-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the complex of C-lobe of lactoferrin with 2-chromenone at 2.6 A resolution To be Published
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4BNN
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![BU of 4bnn by Molmil](/molmil-images/mine/4bnn) | Crystal structure of S. aureus FabI in complex with NADP and 2-(2- cyanophenoxy)-5-hexylphenol | Descriptor: | 2-(2-CYANOPHENOXY)-5-HEXYLPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | Deposit date: | 2013-05-15 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
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6VXP
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4KGD
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8DVN
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![BU of 8dvn by Molmil](/molmil-images/mine/8dvn) | Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.10 | 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N. | Deposit date: | 2022-07-29 | Release date: | 2023-03-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering. Acs Chem.Biol., 18, 2023
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4BUR
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![BU of 4bur by Molmil](/molmil-images/mine/4bur) | Crystal structure of the reduced human Apoptosis inducing factor complexed with NAD | Descriptor: | APOPTOSIS INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Martinez-Julvez, M, Herguedas, B, Hermoso, J.A, Ferreira, P, Villanueva, R, Medina, M. | Deposit date: | 2013-06-23 | Release date: | 2014-07-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural Insights Into the Coenzyme Mediated Monomer-Dimer Transition of the Pro-Apoptotic Apoptosis Inducing Factor. Biochemistry, 53, 2014
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6NKE
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![BU of 6nke by Molmil](/molmil-images/mine/6nke) | Wild-type GGGPS from Thermoplasma volcanium | Descriptor: | GLYCEROL, Geranylgeranylglyceryl phosphate synthase, IMIDAZOLE, ... | Authors: | Blank, P.N, Alderfer, K.E, Gillott, B.N, Christianson, D.W, Himmelberger, J.A. | Deposit date: | 2019-01-07 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structural studies of geranylgeranylglyceryl phosphate synthase, a prenyltransferase found in thermophilic Euryarchaeota. Acta Crystallogr D Struct Biol, 76, 2020
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6I3J
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![BU of 6i3j by Molmil](/molmil-images/mine/6i3j) | Bilirubin oxidase from Myrothecium verrucaria in complex with ferricyanide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bilirubin oxidase, CHLORIDE ION, ... | Authors: | Svecova, L, Koval, T, Skalova, T, Kolenko, P, Duskova, J, Ostergaard, L.H, Dohnalek, J. | Deposit date: | 2018-11-06 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Trp-His covalent adduct in bilirubin oxidase is crucial for effective bilirubin binding but has a minor role in electron transfer. Sci Rep, 9, 2019
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6NLQ
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4TLW
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![BU of 4tlw by Molmil](/molmil-images/mine/4tlw) | CARDS TOXIN, FULL-LENGTH | Descriptor: | ADP-ribosylating toxin CARDS | Authors: | Becker, A, GALALELDEEN, A, Taylor, A.B, Hart, P.J. | Deposit date: | 2014-05-30 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of CARDS toxin, a unique ADP-ribosylating and vacuolating cytotoxin from Mycoplasma pneumoniae. Proc.Natl.Acad.Sci.USA, 112, 2015
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8C1X
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4TOF
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![BU of 4tof by Molmil](/molmil-images/mine/4tof) | 1.65A resolution structure of BfrB (C89S, K96C) crystal form 1 from Pseudomonas aeruginosa | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Bacterioferritin, POTASSIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | Deposit date: | 2014-06-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic. Biochemistry, 54, 2015
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4KL1
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![BU of 4kl1 by Molmil](/molmil-images/mine/4kl1) | HCN4 CNBD in complex with cGMP | Descriptor: | ACETATE ION, CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, ... | Authors: | Lolicato, M, Arrigoni, C, Zucca, S, Nardini, M, Bucchi, A, Schroeder, I, Simmons, K, Bolognesi, M, DiFrancesco, D, Schwede, F, Fishwick, C.W.G, Johnson, A.P.K, Thiel, G, Moroni, A. | Deposit date: | 2013-05-07 | Release date: | 2014-04-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cyclic dinucleotides bind the C-linker of HCN4 to control channel cAMP responsiveness. Nat.Chem.Biol., 10, 2014
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1R3X
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![BU of 1r3x by Molmil](/molmil-images/mine/1r3x) | INTRAMOLECULAR DNA TRIPLEX WITH RNA THIRD STRAND, NMR, 10 STRUCTURES | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*CP*TP*CP*TP*CP*T)-3'), RNA (5'-R(*UP*CP*UP*CP*UP*CP*UP*U)-3') | Authors: | Gotfredsen, C.H, Schultze, P, Feigon, J. | Deposit date: | 1998-02-06 | Release date: | 1998-05-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of an Intramolecular Pyrimidine-Purine-Pyrimidine Triplex Containing an RNA Third Strand J.Am.Chem.Soc., 120, 1998
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6NR6
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![BU of 6nr6 by Molmil](/molmil-images/mine/6nr6) | Crystal Structure of Staphylococcus pseudintermedius SbnI in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional transcriptional regulator/O-phospho-L-serine synthase SbnI, MAGNESIUM ION | Authors: | Verstraete, M.M, Morales, L.D, Kobylarz, M.J, Loutet, S.A, Laakso, H.A, Heinrichs, D.E, Murphy, M.E.P. | Deposit date: | 2019-01-22 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The heme-sensitive regulator SbnI has a bifunctional role in staphyloferrin B production by Staphylococcus aureus . J.Biol.Chem., 294, 2019
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2AP0
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3SVJ
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![BU of 3svj by Molmil](/molmil-images/mine/3svj) | Strep Peptide Deformylase with a time dependent thiazolidine amide | Descriptor: | (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, NICKEL (II) ION, ... | Authors: | Campobasso, N, Ward, P. | Deposit date: | 2011-07-12 | Release date: | 2011-07-27 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors. Biochemistry, 50, 2011
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2HA7
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![BU of 2ha7 by Molmil](/molmil-images/mine/2ha7) | Crystal structure of mutant S203A of mouse acetylcholinesterase complexed with butyrylthiocholine | Descriptor: | 2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM, 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, Acetylcholinesterase, ... | Authors: | Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P. | Deposit date: | 2006-06-12 | Release date: | 2006-07-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding J.Biol.Chem., 281, 2006
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6N01
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![BU of 6n01 by Molmil](/molmil-images/mine/6n01) | Structure of apo AztD from Citrobacter koseri | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AztD Protein, ... | Authors: | Yukl, E.T, Neupane, D.P. | Deposit date: | 2018-11-06 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structures of AztD provide mechanistic insights into direct zinc transfer between proteins. Commun Biol, 2, 2019
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8C6U
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![BU of 8c6u by Molmil](/molmil-images/mine/8c6u) | PBP AccA-G145YG440Q mutant from A. tumefaciens Bo542 in apoform 4 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Agrocinopine utilization periplasmic binding protein AccA, ... | Authors: | Morera, S, Vigouroux, A, Legrand, P. | Deposit date: | 2023-01-12 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.843 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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6N12
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![BU of 6n12 by Molmil](/molmil-images/mine/6n12) | Structure of GTPase Domain of Human Septin 7 at High Resolution | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Septin-7 | Authors: | Brognara, G, Pereira, H.M, Brandao-Neto, J, Araujo, A.P.U, Garratt, R.C. | Deposit date: | 2018-11-08 | Release date: | 2019-05-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Revisiting SEPT7 and the slippage of beta-strands in the septin family. J.Struct.Biol., 207, 2019
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