5TVY
 
 | | Computationally Designed Fentanyl Binder - Fen49 | | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Endo-1,4-beta-xylanase A | | Authors: | Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D. | | Deposit date: | 2016-11-10 | | Release date: | 2017-10-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
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5K2F
 | | Structure of NNQQNY from yeast prion Sup35 with cadmium acetate determined by MicroED | | Descriptor: | ACETATE ION, CADMIUM ION, Eukaryotic peptide chain release factor GTP-binding subunit | | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3GHS
 | | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Second stage of radiation damage. | | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | | Deposit date: | 2009-03-04 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | X-ray-radiation-induced cooperative atomic movements in protein.
J.Mol.Biol., 387, 2009
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1DJ6
 | | COMPLEX OF A Z-DNA HEXAMER, D(CG)3, WITH SYNTHETIC POLYAMINE AT ROOM TEMPERATURE | | Descriptor: | 5'-D(*CP*GP*CP*GP*CP*G)-3', MAGNESIUM ION, N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMINE | | Authors: | Ohishi, H, Tomita, K.-i, Nakanishi, I, Ohtsuchi, M, Hakoshima, T, Rich, A. | | Deposit date: | 1999-12-01 | | Release date: | 1999-12-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | The crystal structure of N1-[2-(2-amino-ethylamino)-ethyl]-ethane-1,2-diamine (polyamines) binding to the minor groove of d(CGCGCG)2, hexamer at room temperature
FEBS Lett., 523, 2002
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131D
 | | THE LOW-TEMPERATURE CRYSTAL STRUCTURE OF THE PURE-SPERMINE FORM OF Z-DNA REVEALS BINDING OF A SPERMINE MOLECULE IN THE MINOR GROOVE | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SODIUM ION, SPERMINE | | Authors: | Bancroft, D, Williams, L.D, Rich, A, Egli, M. | | Deposit date: | 1993-06-18 | | Release date: | 1993-10-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | The low-temperature crystal structure of the pure-spermine form of Z-DNA reveals binding of a spermine molecule in the minor groove.
Biochemistry, 33, 1994
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7FBM
 | | X-ray structure of high-strength hydrogel-grown FABP3 crystal soaked in 50% DMSO solution containing dibutylhydroxytoluene (BHT) | | Descriptor: | 2,6-ditert-butyl-4-methyl-phenol, ACETIC ACID, Fatty acid-binding protein, ... | | Authors: | Sugiyama, S, Kakinouchi, K, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2021-07-11 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | X-ray structure of high-strength hydrogel-grown FABP3 crystal soaked in 50% DMSO solution containing dibutylhydroxytoluene (BHT)
To Be Published
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2IIM
 | | SH3 Domain of Human Lck | | Descriptor: | CALCIUM ION, Proto-oncogene tyrosine-protein kinase LCK, TETRAETHYLENE GLYCOL, ... | | Authors: | Romir, J, Egerer-Sieber, C, Muller, Y.A. | | Deposit date: | 2006-09-28 | | Release date: | 2006-11-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystal structure analysis and solution studies of human Lck-SH3; zinc-induced homodimerization competes with the binding of proline-rich motifs.
J.Mol.Biol., 365, 2007
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7FD7
 | | The 1.00 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluoroheptanoic acid | | Descriptor: | Fatty acid-binding protein, heart, PENTAETHYLENE GLYCOL, ... | | Authors: | Sugiyama, S, Kakinouchi, K, Hara, T, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2021-07-16 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | The 1.00 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluoroheptanoic acid
To Be Published
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6NFR
 | | CopC from Pseudomonas fluorescens | | Descriptor: | CopC, SULFATE ION | | Authors: | Maher, M.J. | | Deposit date: | 2018-12-20 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | The crystal structure of the CopC protein from Pseudomonas fluorescens reveals amended classifications for the CopC protein family.
J. Inorg. Biochem., 195, 2019
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5K2E
 | | Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED | | Descriptor: | ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION | | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6CDX
 | | High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin | | Descriptor: | cystine knot (fluoropropylated) | | Authors: | Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V. | | Deposit date: | 2018-02-09 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis.
Nat Commun, 10, 2019
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6YZU
 | | Carborane nido-pentyl-sulfonamide in complex with CA II | | Descriptor: | Carbonic anhydrase 2, Carborane nido-pentyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
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1A6M
 | | OXY-MYOGLOBIN, ATOMIC RESOLUTION | | Descriptor: | MYOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I. | | Deposit date: | 1998-02-26 | | Release date: | 1999-04-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
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7CSN
 | | Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.00 A resolution | | Descriptor: | Peptidyl-tRNA hydrolase | | Authors: | Viswanathan, V, Sharma, P, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2020-08-15 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.00 A resolution
To Be Published
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6TRG
 | | Salmonella typhimurium neuraminidase mutant (D100S) | | Descriptor: | GLYCEROL, PHOSPHATE ION, Sialidase | | Authors: | Garman, E.F, Salinger, M.T, Murray, J.W, Laver, W.G, Kuhn, P, Vimr, E.R. | | Deposit date: | 2019-12-18 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Salmonella typhimurium neuraminidase mutant (D100S)
To Be Published
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8RXN
 | | REFINEMENT OF RUBREDOXIN FROM DESULFOVIBRIO VULGARIS AT 1.0 ANGSTROMS WITH AND WITHOUT RESTRAINTS | | Descriptor: | FE (III) ION, RUBREDOXIN, SULFATE ION | | Authors: | Dauter, Z, Sieker, L, Wilson, K. | | Deposit date: | 1991-08-26 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Refinement of rubredoxin from Desulfovibrio vulgaris at 1.0 A with and without restraints.
Acta Crystallogr.,Sect.B, 48, 1992
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7QUA
 | | Duplex RNA containing Xanthosine-Cytosine base pairs | | Descriptor: | MAGNESIUM ION, RNA (5'-R(*CP*GP*CP*GP*(XAN)P*AP*UP*UP*AP*GP*CP*G)-3'), SODIUM ION | | Authors: | Ennifar, E, Micura, R. | | Deposit date: | 2022-01-17 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Towards a comprehensive understanding of RNA deamination: synthesis and properties of xanthosine-modified RNA.
Nucleic Acids Res., 50, 2022
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5MAE
 | | CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-car boxylic acid (1-cyano-cyclopropyl)-amide | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L1, [4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide | | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | | Deposit date: | 2016-11-03 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: AmideHeteroarene pi-Stacking Interactions and Chalcogen Bonding in the S3 Pocket.
ChemMedChem, 12, 2017
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2YYX
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3L8W
 | | Urate oxidase from aspergillus flavus complexed with xanthin | | Descriptor: | SODIUM ION, Uricase, XANTHINE, ... | | Authors: | Prange, T, Gabison, L, Colloc'h, N, Chiadmi, M. | | Deposit date: | 2010-01-04 | | Release date: | 2010-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Near-atomic resolution structures of urate oxidase complexed with its substrate and analogues: the protonation state of the ligand.
Acta Crystallogr.,Sect.D, 66, 2010
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7TMJ
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8B8F
 | | Atomic structure of the beta-trefoil domain of the Laccaria bicolor lectin LBL in complex with lactose | | Descriptor: | N-terminal beta-trefoil domain of the lectin LBL from Laccaria bicolor, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Acebron, I, Campanero-Rhodes, M.A, Solis, D, Menendez, M, Garcia, C, Lillo, M.P, Mancheno, J.M. | | Deposit date: | 2022-10-04 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic crystal structure and sugar specificity of a beta-trefoil lectin domain from the ectomycorrhizal basidiomycete Laccaria bicolor.
Int.J.Biol.Macromol., 233, 2023
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1MN8
 | | Structure of Moloney Murine Leukaemia Virus Matrix Protein | | Descriptor: | Core protein p15 | | Authors: | Riffel, N, Harlos, K, Iourin, O, Rao, Z, Kingsman, A, Stuart, D, Fry, E. | | Deposit date: | 2002-09-05 | | Release date: | 2003-01-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic resolution structure of Moloney murine leukaemia virus matrix protein and its relationship to other retroviral matrix proteins.
Structure, 10, 2002
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8DA5
 | | Coevolved affibody-Z domain pair LL1.c4 | | Descriptor: | GLYCEROL, Immunoglobulin G-binding protein A, affibody LL1.FIVM | | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
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1K4P
 | | Crystal Structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase in complex with zinc ions | | Descriptor: | 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase, SULFATE ION, ZINC ION | | Authors: | Liao, D.-I, Zheng, Y.-J, Viitanen, P.V, Jordan, D.B. | | Deposit date: | 2001-10-08 | | Release date: | 2002-03-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural definition of the active site and catalytic mechanism of 3,4-dihydroxy-2-butanone-4-phosphate synthase.
Biochemistry, 41, 2002
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