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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