8A4N
 
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8UVZ
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8UW0
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5QU8
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7TML
 | | Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ... | | Authors: | Nguyen, A.I. | | Deposit date: | 2022-01-19 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework.
J.Am.Chem.Soc., 144, 2022
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3M5Q
 | | 0.93 A Structure of Manganese-Bound Manganese Peroxidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Sundaramoorthy, M, Gold, M.H, Poulos, T.L. | | Deposit date: | 2010-03-12 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Ultrahigh (0.93A) resolution structure of manganese peroxidase from Phanerochaete chrysosporium: implications for the catalytic mechanism.
J.Inorg.Biochem., 104, 2010
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6SYW
 | | human Aldose Reductase in complex with SAR25 | | Descriptor: | 2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Sandner, A, Heine, A, Klebe, G. | | Deposit date: | 2019-10-01 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | human Aldose Reductase in complex with SAR25
To Be Published
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3X33
 | | Crystal structure of the oxidized form of the solubilized domain of porcine cytochrome b5 in form 2 crystal | | Descriptor: | ACETATE ION, Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hirano, Y, Kimura, S, Tamada, T. | | Deposit date: | 2015-01-14 | | Release date: | 2015-07-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | High-resolution crystal structures of the solubilized domain of porcine cytochrome b5.
Acta Crystallogr.,Sect.D, 71, 2015
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7FG1
 | | The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with tridecanoic acid | | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | Authors: | Sugiyama, S, Takahashi, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2021-07-25 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with tridecanoic acid
To Be Published
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8PB6
 | | PsiM in complex with SAH and baeocystin | | Descriptor: | Baeocystin, CHLORIDE ION, Psilocybin synthase, ... | | Authors: | Werten, S, Hudspeth, J, Rupp, B. | | Deposit date: | 2023-06-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Methyl transfer in psilocybin biosynthesis.
Nat Commun, 15, 2024
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1EA7
 | | Sphericase | | Descriptor: | CALCIUM ION, SERINE PROTEASE | | Authors: | Almog, O, Gonzalez, A, Klein, D, Braun, S, Shoham, G. | | Deposit date: | 2001-07-10 | | Release date: | 2002-07-04 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | The 0.93A Crystal Structure of Sphericase: A Calcium-Loaded Serine Protease from Bacillus Sphaericus
J.Mol.Biol., 332, 2003
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4R2X
 | | Unique conformation of uridine and asymmetry of the hexameric molecule revealed in the high-resolution structures of Shewanella oneidensis uridine phosphorylase in the free form and in complex with uridine | | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Safonova, T.N, Mordkovich, N.N, Manuvera, V.A, Veiko, V.P, Popov, V.O, Polyakov, K.M. | | Deposit date: | 2014-08-13 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | High-syn conformation of uridine and asymmetry of the hexameric molecule revealed in the high-resolution structures of Shewanella oneidensis MR-1 uridine phosphorylase in the free form and in complex with uridine.
Acta Crystallogr.,Sect.D, 70, 2014
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4BVM
 | | The peripheral membrane protein P2 from human myelin at atomic resolution | | Descriptor: | CITRIC ACID, MYELIN P2 PROTEIN, PALMITIC ACID, ... | | Authors: | Ruskamo, S, Yadav, R.P, Kursula, P. | | Deposit date: | 2013-06-26 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Atomic Resolution View Into the Structure-Function Relationships of the Human Myelin Peripheral Membrane Protein P2
Acta Crystallogr.,Sect.D, 70, 2014
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7X50
 | | The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with heneicosanoic acid | | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | Authors: | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with heneicosanoic acid
To Be Published
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6KM0
 | | Human Carbonic Anhydrase II V143I variant 07 atm CO2 | | Descriptor: | BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ... | | Authors: | Kim, C.U, Kim, J.K. | | Deposit date: | 2019-07-30 | | Release date: | 2020-08-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
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7G1R
 | | Crystal Structure of human FABP4 in complex with 2-[(3-ethoxycarbonylthiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid | | Descriptor: | 2-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Ceccarelli-Simona, M, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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3QL9
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5RDJ
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 43 | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, 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 (0.93 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RD3
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 25 | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, 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 (0.93 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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1OK0
 | | Crystal Structure of Tendamistat | | Descriptor: | ALPHA-AMYLASE INHIBITOR HOE-467A, CHLORIDE ION, GLYCEROL | | Authors: | Koenig, V, Vertesy, L, Schneider, T.R. | | Deposit date: | 2003-07-16 | | Release date: | 2004-01-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Crystal Structure of the Alpha-Amylase Inhibitor Tendamistat at 0.93 A
Acta Crystallogr.,Sect.D, 59, 2003
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5XTV
 | | Crystal Structure of Transketolase in complex with TPP intermediate V from Pichia Stipitis | | Descriptor: | 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | | Deposit date: | 2017-06-21 | | Release date: | 2018-04-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.931 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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5DK1
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5MON
 | | Joint X-ray/neutron structure of cationic trypsin in complex with 2-aminopyridine | | Descriptor: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-14 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (0.939 Å), X-RAY DIFFRACTION | | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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6ROE
 | | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,6-DIFLUOROBENZENESULFONAMIDE, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Heine, A, Klebe, G. | | Deposit date: | 2019-05-12 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.939 Å) | | Cite: | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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5MNB
 | | Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 295 K) | | Descriptor: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.939 Å) | | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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