2HVN
 
 | | Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation after one day (1day_cocryst) | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2006-07-29 | | Release date: | 2006-10-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions.
J.Mol.Biol., 363, 2006
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2HVO
 | | Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation (10days_cocryst) | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2006-07-29 | | Release date: | 2006-10-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions.
J.Mol.Biol., 363, 2006
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6CPK
 | | Solution structure of SH3 domain from Shank3 | | Descriptor: | SH3 and multiple ankyrin repeat domains protein 3 | | Authors: | Ishida, H, Vogel, H.J. | | Deposit date: | 2018-03-13 | | Release date: | 2018-08-15 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the SH3 domains from Shank scaffold proteins and their interactions with Cav1.3 calcium channels.
FEBS Lett., 592, 2018
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2C8O
 | | lysozyme (1sec) and UV lasr excited fluorescence | | Descriptor: | LYSOZYME C | | Authors: | Vernede, X, Lavault, B, Ohana, J, Nurizzo, D, Joly, J, Jacquamet, L, Felisaz, F, Cipriani, F, Bourgeois, D. | | Deposit date: | 2005-12-06 | | Release date: | 2006-03-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Uv Laser-Excited Fluorescence as a Tool for the Visualization of Protein Crystals Mounted in Loops.
Acta Crystallogr.,Sect.D, 62, 2006
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2JIO
 | | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | | Deposit date: | 2007-06-28 | | Release date: | 2008-03-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum.
J.Biol.Inorg.Chem., 13, 2008
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6TAZ
 | | Timeless couples G quadruplex detection with processing by DDX11 during DNA replication | | Descriptor: | Protein timeless homolog | | Authors: | Lerner Koch, L, Holzer, S, Kilkenny, M.L, Murat, P, Svikovic, S, Schiavone, D, Bittleston, A, Maman, J.D, Branzei, D, Stott, K, Pellegrini, L, Sale, E.J. | | Deposit date: | 2019-10-31 | | Release date: | 2020-07-01 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Timeless couples G-quadruplex detection with processing by DDX11 helicase during DNA replication.
Embo J., 39, 2020
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6S19
 | | Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.Ch. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
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2JIM
 | | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | | Deposit date: | 2007-06-28 | | Release date: | 2008-03-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum.
J.Biol.Inorg.Chem., 13, 2008
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6S1D
 | | Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from 20,000 diffraction patterns | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
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6S1G
 | | Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from 50,000 diffraction patterns. | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
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8SQB
 | | The cryo-EM structure of the EcBAM/EspP(beta7-12) complex | | Descriptor: | Maltodextrin-binding protein,EspP(b7-12), Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | | Authors: | Wu, R, Noinaj, N. | | Deposit date: | 2023-05-04 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | BAM orchestrates OMP biogenesis using a beta-templating mechanism
To Be Published
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2FZD
 | | Human aldose reductase complexed with tolrestat at 1.08 A resolution. | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT, aldose reductase | | Authors: | Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G. | | Deposit date: | 2006-02-09 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
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2FZ9
 | | Human Aldose Reductase complexed with inhibitor zopolrestat after six days soaking. | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase | | Authors: | Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G. | | Deposit date: | 2006-02-09 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
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6TTA
 | | Haddock model of NDM-1/quercetin complex | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Metallo beta lactamase NDM-1, ZINC ION | | Authors: | Riviere, G, Oueslati, S, Gayral, M, Crechet, J.B, Nhiri, N, Jacquet, E, Cintrat, J.C, Giraud, F, van Heijenoort, C, Lescop, E, Pethe, S, Iorga, B.I, Naas, T, Guittet, E, Morellet, N. | | Deposit date: | 2019-12-26 | | Release date: | 2021-01-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-beta-Lactamase-1 and on the Binding with Flavonols as Inhibitors.
Acs Omega, 5, 2020
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6TIR
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6LNZ
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1FUB
 | | FIRST PROTEIN STRUCTURE DETERMINED FROM X-RAY POWDER DIFFRACTION DATA | | Descriptor: | CHLORIDE ION, INSULIN, A CHAIN, ... | | Authors: | Von Dreele, R.B, Stephens, P.W, Blessing, R.H, Smith, G.D. | | Deposit date: | 2000-09-14 | | Release date: | 2000-10-16 | | Last modified: | 2018-10-03 | | Method: | POWDER DIFFRACTION | | Cite: | The first protein crystal structure determined from high-resolution X-ray powder diffraction data: a variant of T3R3 human insulin-zinc complex produced by grinding.
Acta Crystallogr.,Sect.D, 56, 2000
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6TTC
 | | Haddock model of NDM-1/myricetin complex | | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Metallo beta lactamase NDM-1, ZINC ION | | Authors: | Riviere, G, Oueslati, S, Gayral, M, Crechet, J.B, Nhiri, N, Jacquet, E, Cintrat, J.C, Giraud, F, van Heijenoort, C, Lescop, E, Pethe, S, Iorga, B.I, Naas, T, Guittet, E, Morellet, N. | | Deposit date: | 2019-12-26 | | Release date: | 2021-01-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-beta-Lactamase-1 and on the Binding with Flavonols as Inhibitors.
Acs Omega, 5, 2020
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4MWH
 | | Crystal structure of scCK2 alpha in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, MAGNESIUM ION, ... | | Authors: | Liu, H. | | Deposit date: | 2013-09-24 | | Release date: | 2013-11-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
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6RH5
 | | Solution structure and 1H, 13C and 15N chemical shift assignments for NECAP1 PHear domain | | Descriptor: | Adaptin ear-binding coat-associated protein 1 | | Authors: | Owen, D.J, Neuhaus, D, Yang, J.-C, Herrmann, T. | | Deposit date: | 2019-04-18 | | Release date: | 2019-09-04 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
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6HVK
 | | Pepducin UT-Pep2 a biased allosteric agonist of Urotensin-II receptor | | Descriptor: | Urotensin-2 receptor | | Authors: | Carotenuto, A, Hoang, T.A, Nassour, H, Martin, R.D, Billard, E, Myriam, L, Novellino, E, Tanny, J.C, Fournier, A, Hebert, T.E, Chatenet, D. | | Deposit date: | 2018-10-11 | | Release date: | 2019-10-30 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Lipidated peptides derived from intracellular loops 2 and 3 of the urotensin II receptor act as biased allosteric ligands.
J.Biol.Chem., 297, 2021
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6RQ7
 | | Gadolinium MRI contrast compound binding in human plasma glycoprotein afamin - resurrection of highly anisotropic data | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rupp, B, Bowler, M.W, Naschberger, A, Juyoux, P, vonVelsen, J. | | Deposit date: | 2019-05-15 | | Release date: | 2019-07-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Controlled dehydration, structural flexibility and gadolinium MRI contrast compound binding in the human plasma glycoprotein afamin.
Acta Crystallogr D Struct Biol, 75, 2019
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6MU2
 | | Structure of full-length IP3R1 channel in the Apo-state | | Descriptor: | Inositol 1,4,5-trisphosphate receptor type 1 | | Authors: | Serysheva, I.I, Fan, G, Baker, M.R, Wang, Z, Seryshev, A, Ludtke, S.J, Baker, M.L. | | Deposit date: | 2018-10-22 | | Release date: | 2018-12-05 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM reveals ligand induced allostery underlying InsP3R channel gating.
Cell Res., 28, 2018
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6S0Q
 | | Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from 50,000 diffraction patterns | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
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2GA7
 | | Solution structure of the copper(I) form of the third metal-binding domain of ATP7A protein (menkes disease protein) | | Descriptor: | COPPER (I) ION, Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Cantini, F, DellaMalva, N, Rosato, A, Herrmann, T, Wuthrich, K, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2006-03-08 | | Release date: | 2006-08-01 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure and intermolecular interactions of the third metal-binding domain of ATP7A, the Menkes disease protein.
J.Biol.Chem., 281, 2006
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