2NRL
 
 | | Blackfin tuna myoglobin | | Descriptor: | 1,2-ETHANEDIOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Schreiter, E.R, Rodr guez, M.M, Weichsel, A, Montfort, W.R, Bonaventura, J. | | Deposit date: | 2006-11-02 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.91 Å) | | Cite: | S-nitrosylation-induced conformational change in blackfin tuna myoglobin.
J.Biol.Chem., 282, 2007
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7G1F
 | | Crystal Structure of human FABP4 in complex with 1-(4-methylphenyl)sulfonyl-3-(8-tricyclo[5.2.1.02,6]decanyl)urea | | Descriptor: | 4-methyl-N-{[(3aR,4R,5R,7R,7aR)-octahydro-1H-4,7-methanoinden-5-yl]carbamoyl}benzene-1-sulfonamide, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Stempel, A, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.91 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7LTI
 | | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 2 | | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-19 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.91 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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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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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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5R35
 | | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 29, 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 (0.91 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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3QM6
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3QM9
 | | Blackfin tuna azido-myoglobin, atomic resolution | | Descriptor: | 1,2-ETHANEDIOL, AZIDE ION, Myoglobin, ... | | 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
 | | 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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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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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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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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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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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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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
 | | 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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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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8PB7
 | | PsiM in complex with sinefungin and baeocystin | | Descriptor: | Baeocystin, CHLORIDE ION, Psilocybin synthase, ... | | Authors: | Werten, S, Hudspeth, J, Rupp, B. | | Deposit date: | 2023-06-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | Methyl transfer in psilocybin biosynthesis.
Nat Commun, 15, 2024
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7A2X
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7YRK
 | | Crystal structure of the hen egg lysozyme-2-oxidobenzylidene-threoninato-copper (II) complex | | Descriptor: | (6~{S})-6-[(1~{R})-1-oxidanylethyl]-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Unno, M, Furuya, T, Kitanishi, K, Akitsu, T. | | Deposit date: | 2022-08-10 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | A novel hybrid protein composed of superoxide-dismutase-active Cu(II) complex and lysozyme.
Sci Rep, 13, 2023
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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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6EQE
 | | High resolution crystal structure of a polyethylene terephthalate degrading hydrolase from Ideonella sakaiensis | | Descriptor: | CHLORIDE ION, Poly(ethylene terephthalate) hydrolase, SODIUM ION | | Authors: | Austin, H.P, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2017-10-12 | | Release date: | 2018-04-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | Characterization and engineering of a plastic-degrading aromatic polyesterase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3X0J
 | | ADP ribose pyrophosphatase from Thermus thermophilus HB8 in apo state at 0.92 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 (0.92 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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4E1U
 | | [Ru(bpy)2 dppz]2+ bound to DNA | | Descriptor: | 5'-D(*CP*GP*GP*AP*AP*AP*TP*TP*AP*CP*CP*G)-3', BARIUM ION, Delta-[Ru(bpy)2dppz]2+ | | Authors: | Song, H, Kaiser, J.T, Barton, J.K. | | Deposit date: | 2012-03-07 | | Release date: | 2012-06-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | Crystal structure of delta-[Ru(bpy)2dppz]2+ bound to mismatched DNA reveals side-by-side metalloinsertion and intercalation.
Nat Chem, 4, 2012
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