7BDS
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7BDR
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![BU of 7bdr by Molmil](/molmil-images/mine/7bdr) | Structure of CTX-M-15 E166Q mutant crystallised in the presence of tazobactam (AAI101) | Descriptor: | Beta-lactamase, CHLORIDE ION, SODIUM ION, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2020-12-22 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition. Mbio, 13, 2022
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3G46
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![BU of 3g46 by Molmil](/molmil-images/mine/3g46) | Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloroform bound to the XE4 cavity | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E. | Deposit date: | 2009-02-03 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis. Structure, 17, 2009
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2PVB
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1QFI
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![BU of 1qfi by Molmil](/molmil-images/mine/1qfi) | SYNTHESIS AND STRUCTURE OF PROLINE RING MODIFIED ACTINOMYCINS OF X TYPE | Descriptor: | ACTINOMYCIN X2, ETHYL ACETATE, METHANOL | Authors: | Lifferth, A, Bahner, I, Lackner, H, Schaefer, M. | Deposit date: | 1999-04-12 | Release date: | 2003-07-15 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | Synthesis and Structure of Proline Ring Modified Actinomycins of the X-Type Z.Naturforsch., 54, 1999
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3X0I
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![BU of 3x0i by Molmil](/molmil-images/mine/3x0i) | ADP ribose pyrophosphatase in apo state at 0.91 angstrom resolution | Descriptor: | ADP-ribose pyrophosphatase, GLYCEROL, SULFATE ION | Authors: | Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N. | Deposit date: | 2014-10-16 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors Biochemistry, 55, 2016
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3QM5
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![BU of 3qm5 by Molmil](/molmil-images/mine/3qm5) | Blackfin tuna oxy-myoglobin, atomic resolution | Descriptor: | 1,2-ETHANEDIOL, Myoglobin, OXYGEN MOLECULE, ... | Authors: | de Serrano, V.S, Rodriguez, M.M, Schreiter, E.R. | Deposit date: | 2011-02-03 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | High Resolution Structures of Blackfin Tuna Myoglobin To be Published
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5MNC
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![BU of 5mnc by Molmil](/molmil-images/mine/5mnc) | Cationic trypsin in complex with aniline (deuterated sample at 100 K) | Descriptor: | ANILINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.916 Å) | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin. Angew. Chem. Int. Ed. Engl., 56, 2017
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5XSB
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![BU of 5xsb by Molmil](/molmil-images/mine/5xsb) | Crystal Structure of Transketolase in complex with TPP intermediate III from Pichia Stipitis | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, Transketolase | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-13 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.918 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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9EN6
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![BU of 9en6 by Molmil](/molmil-images/mine/9en6) | Crystal structure of RNA G2C4 repeats - native model pH 6.5 | Descriptor: | MAGNESIUM ION, RNA (5'-R(*GP*GP*CP*CP*CP*C)-3') | Authors: | Mateja-Pluta, M, Kiliszek, A. | Deposit date: | 2024-03-12 | Release date: | 2024-05-01 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (0.918 Å) | Cite: | Antisense RNA C9orf72 hexanucleotide repeat associated with amyotrophic lateral sclerosis and frontotemporal dementia forms a triplex-like structure and binds small synthetic ligand. Nucleic Acids Res., 52, 2024
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5R39
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![BU of 5r39 by Molmil](/molmil-images/mine/5r39) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 33, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (0.919 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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7AEY
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![BU of 7aey by Molmil](/molmil-images/mine/7aey) | Salmonella typhimurium neuraminidase in complex with isocarba-DANA. | Descriptor: | (3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid, GLYCEROL, PHOSPHATE ION, ... | Authors: | Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vasella, A.T, Vimr, E.R, Vorwerk, S, Garman, E.F. | Deposit date: | 2020-09-18 | Release date: | 2020-10-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.919 Å) | Cite: | Salmonella typhimurium neuraminidase in complex with isocarba-DANA. To Be Published
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5MK9
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![BU of 5mk9 by Molmil](/molmil-images/mine/5mk9) | Maltodextrin binding protein MalE1 from L. casei BL23 bound to beta-cyclodextrin | Descriptor: | CHLORIDE ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), MalE1 | Authors: | Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E. | Deposit date: | 2016-12-02 | Release date: | 2017-07-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (0.919 Å) | Cite: | Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr. Mol. Microbiol., 105, 2017
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5R2D
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![BU of 5r2d by Molmil](/molmil-images/mine/5r2d) | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry H11, DMSO-free | Descriptor: | 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea, Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (0.919 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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4HNO
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![BU of 4hno by Molmil](/molmil-images/mine/4hno) | High resolution crystal structure of DNA Apurinic/apyrimidinic (AP) endonuclease IV Nfo from Thermatoga maritima | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... | Authors: | Shin, D.S, Hosfield, D.J, Arvai, A.S, Tsutakawa, S.E, Tainer, J.A. | Deposit date: | 2012-10-20 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.9194 Å) | Cite: | Conserved Structural Chemistry for Incision Activity in Structurally Non-homologous Apurinic/Apyrimidinic Endonuclease APE1 and Endonuclease IV DNA Repair Enzymes. J.Biol.Chem., 288, 2013
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6HSA
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2FVY
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![BU of 2fvy by Molmil](/molmil-images/mine/2fvy) | High Resolution Glucose Bound Crystal Structure of GGBP | Descriptor: | ACETATE ION, CALCIUM ION, CARBON DIOXIDE, ... | Authors: | Borrok, M.J, Kiessling, L.L, Forest, K.T. | Deposit date: | 2006-01-31 | Release date: | 2007-02-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Conformational changes of glucose/galactose-binding protein illuminated by open, unliganded, and ultra-high-resolution ligand-bound structures. Protein Sci., 16, 2007
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3EA6
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![BU of 3ea6 by Molmil](/molmil-images/mine/3ea6) | Atomic resolution of crystal structure of SEK | Descriptor: | IODIDE ION, Staphylococcal enterotoxin K, ZINC ION | Authors: | Shi, K, Huseby, M, Schlievert, P.M, Ohlendorf, D.H, Earhart, C.A. | Deposit date: | 2008-08-24 | Release date: | 2009-06-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Structural Studies of an Emerging Pyrogenic Superantigen, SEK To be Published
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2G6F
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5RCK
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![BU of 5rck by Molmil](/molmil-images/mine/5rck) | PanDDA analysis group deposition -- Endothiapepsin ground state model 05 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5R33
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![BU of 5r33 by Molmil](/molmil-images/mine/5r33) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 27, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5R31
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![BU of 5r31 by Molmil](/molmil-images/mine/5r31) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 25, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5DKM
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7V5U
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![BU of 7v5u by Molmil](/molmil-images/mine/7v5u) | The 0.92 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with 2-cyclohexadecylacetic acid (CYC16AA) | Descriptor: | 2-cyclohexadecylethanoic acid, Fatty acid-binding protein, heart, ... | Authors: | Sugiyama, S, Kakinouchi, K, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2021-08-18 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | The 0.92 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with 2-cyclohexadecylacetic acid (CYC16AA) To Be Published
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2GBA
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![BU of 2gba by Molmil](/molmil-images/mine/2gba) | Reduced Cu(I) form at pH 4 of P52G mutant of amicyanin | Descriptor: | COPPER (I) ION, amicyanin | Authors: | Ma, J.K, Carrell, C.J, Mathews, F.S, Davidson, V.L. | Deposit date: | 2006-03-10 | Release date: | 2006-08-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Site-Directed Mutagenesis of Proline 52 To Glycine in Amicyanin Converts a True Electron Transfer Reaction into One that Is Conformationally Gated. Biochemistry, 45, 2006
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