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6ETL
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BU of 6etl by Molmil
Atomic resolution structure of RNase A (data collection 2)
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Caterino, M, Vergara, A, Merlino, A.
Deposit date:2017-10-27
Release date:2018-02-21
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
6ETK
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BU of 6etk by Molmil
Atomic resolution structure of RNase A (data collection 1)
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Caterino, M, Vergara, A, Merlino, A.
Deposit date:2017-10-27
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
1PQ5
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BU of 1pq5 by Molmil
Trypsin at pH 5, 0.85 A
Descriptor: ARGININE, SULFATE ION, Trypsin
Authors:Schmidt, A, Jelsch, C, Rypniewski, W, Lamzin, V.S.
Deposit date:2003-06-18
Release date:2003-11-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Trypsin Revisited: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS OF CATALYSIS.
J.Biol.Chem., 278, 2003
5EMB
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BU of 5emb by Molmil
Crystal structure of the SNX27 PDZ domain bound to the C-terminal phosphorylated PTHR PDZ binding motif
Descriptor: GLU-GLU-TRP-SEP-THR-VAL-MET, Sorting nexin-27
Authors:Collins, B.M, Clairfeuille, T.
Deposit date:2015-11-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:A molecular code for endosomal recycling of phosphorylated cargos by the SNX27-retromer complex.
Nat.Struct.Mol.Biol., 23, 2016
4HIF
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BU of 4hif by Molmil
Ultrahigh-resolution crystal structure of Z-DNA in complex with Zn2+ ions
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE (FULLY PROTONATED FORM), ...
Authors:Drozdzal, P, Gilski, M, Kierzek, R, Lomozik, L, Jaskolski, M.
Deposit date:2012-10-11
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Ultrahigh-resolution crystal structures of Z-DNA in complex with Mn(2+) and Zn(2+) ions.
Acta Crystallogr.,Sect.D, 69, 2013
5JQF
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BU of 5jqf by Molmil
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
5RDH
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BU of 5rdh by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 39
Descriptor: 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 (0.85 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
3U7T
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BU of 3u7t by Molmil
Room temperature ultra-high resolution time-of-flight neutron and X-ray diffraction studies of H/D exchanged crambin
Descriptor: Crambin
Authors:Chen, J.C.-H.
Deposit date:2011-10-14
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Room-temperature ultrahigh-resolution time-of-flight neutron and X-ray diffraction studies of H/D-exchanged crambin.
Acta Crystallogr.,Sect.F, 68, 2012
4I8K
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BU of 4i8k by Molmil
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
6JGI
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BU of 6jgi by Molmil
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
5XVT
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BU of 5xvt by Molmil
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
4D5M
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BU of 4d5m by Molmil
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
7UCP
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BU of 7ucp by Molmil
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
1X8Q
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BU of 1x8q by Molmil
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
4IGS
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BU of 4igs by Molmil
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
6Q00
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BU of 6q00 by Molmil
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
7P4R
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BU of 7p4r by Molmil
Ultra High Resolution X-ray Structure of Orthorhombic Bovine Pancreatic Ribonuclease at 100K
Descriptor: ETHANOL, Ribonuclease pancreatic, SULFATE ION
Authors:Lisgarten, D.R, Palmer, R.A, Cooper, J.B, Naylor, C.E, Howlin, B.J, Lisgarten, J.N, Najmudin, S, Lobley, C.M.C.
Deposit date:2021-07-12
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Ultra-high resolution X-ray structure of orthorhombic bovine pancreatic Ribonuclease A at 100K.
BMC Chem, 17, 2023
4O8H
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BU of 4o8h by Molmil
0.85A resolution structure of PEG 400 Bound Cyclophilin D
Descriptor: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Lovell, S, Valasani, K.R, Battaile, K.P, Wang, C, Yan, S.S.
Deposit date:2013-12-27
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:High-resolution crystal structures of two crystal forms of human cyclophilin D in complex with PEG 400 molecules.
Acta Crystallogr F Struct Biol Commun, 70, 2014
3PYP
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BU of 3pyp by Molmil
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
2PF8
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BU of 2pf8 by Molmil
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is equal to 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:2007-04-04
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
7KQO
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BU of 7kqo by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (P43 crystal form)
Descriptor: Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-11-17
Release date:2020-12-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5YOK
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BU of 5yok by Molmil
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
7RVE
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BU of 7rve by Molmil
Segment from the S170N mutant of the human prion protein 168-176 EYNNQNNFV
Descriptor: Major prion protein
Authors:Glynn, C, Rodriguez, J.A, Hernandez, E.
Deposit date:2021-08-18
Release date:2022-08-24
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (0.85 Å)
Cite:Structural and Biophysical Consequences of Sequence Variation in the B2a2 Loop of Mammalian Prions
To be published
2OL9
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BU of 2ol9 by Molmil
Peptide corresponding to residues 170-175 of human prion
Descriptor: peptide from human prion
Authors:Apostol, M.A, Sawaya, M.R, Eisenberg, D.
Deposit date:2007-01-18
Release date:2007-01-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Atomic structures of amyloid cross-beta spines reveal varied steric zippers.
Nature, 447, 2007
2PFH
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BU of 2pfh by Molmil
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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