4D5M
 
 | | Gonadotropin-releasing hormone agonist | | Descriptor: | PHOSPHATE ION, TRIPTORELIN | | Authors: | Legrand, P, Le Du, M.-H, Valery, C, Deville-Foillard, S, Paternostre, M, Artzner, F. | | Deposit date: | 2014-11-05 | | Release date: | 2015-08-12 | | Last modified: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Atomic View of the Histidine Environment Stabilizing Higher- Ph Conformations of Ph-Dependent Proteins.
Nat.Commun., 6, 2015
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1PJX
 | | 0.85 ANGSTROM STRUCTURE OF SQUID GANGLION DFPASE | | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | | Authors: | Koepke, J, Rueterjans, H, Luecke, C, Fritzsch, G. | | Deposit date: | 2003-06-04 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Statistical analysis of crystallographic data obtained from squid ganglion DFPase at 0.85 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
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4I8K
 | | Bovine trypsin at 0.85 resolution | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Dauter, Z, Liebschner, D, Dauter, M, Brzuszkiewicz, A. | | Deposit date: | 2012-12-03 | | Release date: | 2012-12-19 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin.
Acta Crystallogr.,Sect.D, 69, 2013
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4LAZ
 | | Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | Deposit date: | 2013-06-20 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
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1X8Q
 | | 0.85 A Crystal Structure Of Nitrophorin 4 From Rhodnius Prolixus in Complex with Water at pH 5.6 | | Descriptor: | Nitrophorin 4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kondrashov, D.A, Roberts, S.A, Weichsel, A, Montfort, W.R. | | Deposit date: | 2004-08-18 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Protein functional cycle viewed at atomic resolution: conformational change and mobility in nitrophorin 4 as a function of pH and NO binding
Biochemistry, 43, 2004
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6ETL
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7AOT
 | | The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone | | Descriptor: | (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Voll, A.M, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F. | | Deposit date: | 2020-10-15 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6ETK
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6UCX
 | | S2 symmetric peptide design number 1, Wednesday | | Descriptor: | S2-1, Wednesday, trifluoroacetic acid | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-18 | | Release date: | 2020-09-23 | | Last modified: | 2021-07-28 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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1X8P
 | | 0.85 A Crystal Structure Of Nitrophorin 4 From Rhodnius Prolixus Complexed With Ammonia at pH 7.4 | | Descriptor: | AMMONIA, Nitrophorin 4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kondrashov, D.A, Roberts, S.A, Weichsel, A, Montfort, W.R. | | Deposit date: | 2004-08-18 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Protein functional cycle viewed at atomic resolution: conformational change and mobility in nitrophorin 4 as a function of pH and NO binding
Biochemistry, 43, 2004
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4XXG
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6UN0
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7UCP
 | | computationally designed macrocycle | | Descriptor: | computationally designed cyclic peptide D8.3.p2 | | Authors: | Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M. | | Deposit date: | 2022-03-17 | | Release date: | 2022-09-14 | | Last modified: | 2022-09-28 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
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6Q00
 | | TDP2 UBA Domain Bound to Ubiquitin at 0.85 Angstroms Resolution, Crystal Form 1 | | Descriptor: | POTASSIUM ION, Tyrosyl-DNA phosphodiesterase 2, Ubiquitin | | Authors: | Schellenberg, M.J, Krahn, J.M, Williams, R.S. | | Deposit date: | 2019-08-01 | | Release date: | 2020-04-29 | | Last modified: | 2020-06-24 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Ubiquitin stimulated reversal of topoisomerase 2 DNA-protein crosslinks by TDP2.
Nucleic Acids Res., 48, 2020
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6JGI
 | | Crystal structure of the S65T/F99S/M153T/V163A variant of GFP at 0.85 A | | Descriptor: | Green fluorescent protein | | Authors: | Tai, Y, Takaba, K, Hanazono, Y, Miki, K, Takeda, K. | | Deposit date: | 2019-02-14 | | Release date: | 2019-04-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Subatomic resolution X-ray structures of green fluorescent protein.
Iucrj, 6, 2019
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5YOK
 | | Structure of HIV-1 Protease in Complex with Inhibitor KNI-1657 | | Descriptor: | (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, HIV-1 PROTEASE | | Authors: | Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y. | | Deposit date: | 2017-10-29 | | Release date: | 2018-07-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
J. Med. Chem., 61, 2018
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3QPA
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7BBX
 | | Neisseria gonorrhoeae transaldolase, variant K8A | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Transaldolase | | Authors: | Rabe von Pappenheim, F, Wensien, M, Funk, L.M, Tittmann, K. | | Deposit date: | 2020-12-18 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
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5XVT
 | | Crystal Structure of Transketolase in complex with hydroxylated TPP from Pichia Stipitis, crystal 2 | | Descriptor: | 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | | Deposit date: | 2017-06-28 | | Release date: | 2018-04-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (0.85 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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3PYP
 | | PHOTOACTIVE YELLOW PROTEIN, CRYOTRAPPED EARLY LIGHT CYCLE INTERMEDIATE | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | Authors: | Genick, U.K, Soltis, S.M, Kuhn, P, Canestrelli, I.L, Getzoff, E.D. | | Deposit date: | 1998-07-28 | | Release date: | 1999-06-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Structure at 0.85 A resolution of an early protein photocycle intermediate.
Nature, 392, 1998
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4PSY
 | | 100K crystal structure of Escherichia coli dihydrofolate reductase | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Wilson, M.A, Wan, Q, Bennet, B.C, Dealwis, C, Ringe, D, Petsko, G.A. | | Deposit date: | 2014-03-08 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 22, 2014
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5JQF
 | | Crystal structure of the lasso peptide Sphingopyxin I (SpI) | | Descriptor: | Sphingopyxin I | | Authors: | Fage, C.D, Hegemann, J.D, Harms, K, Bange, G, Marahiel, M.A. | | Deposit date: | 2016-05-04 | | Release date: | 2016-09-14 | | Last modified: | 2021-06-16 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew. Chem. Int. Ed. Engl., 55, 2016
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2PFH
 | | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is less than concentration of IDD594. | | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | | Authors: | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | | Deposit date: | 2007-04-05 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
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4IGS
 | | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064 | | Descriptor: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2012-12-18 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
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7WCI
 | | The 0.85 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with two molecules of pelargonic acid | | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | Authors: | Sugiyama, S, Kakinouchi, K, Takahashi, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2021-12-20 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | The 0.85 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with two molecules of pelargonic acid
To Be Published
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