3VN3
 
 | | Fungal antifreeze protein exerts hyperactivity by constructing an inequable beta-helix | | Descriptor: | 1,2-ETHANEDIOL, Antifreeze protein | | Authors: | Kondo, H, Xiao, N, Hanada, Y, Sugimoto, H, Hoshino, T, Garnham, C.P, Davies, P.L, Tsuda, S. | | Deposit date: | 2011-12-21 | | Release date: | 2012-06-06 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Ice-binding site of snow mold fungus antifreeze protein deviates from structural regularity and high conservation
Proc.Natl.Acad.Sci.USA, 109, 2012
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5AXE
 | | Crystal Structure Analysis of DNA Duplexes containing sulfoamide-bridged nucleic acid (SuNA-NH) | | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(LSH)P*AP*CP*GP*C)-3') | | Authors: | Mitsuoka, Y, Aoyama, H, Kugimiya, A, Fujimura, Y, Yamamoto, T, Waki, R, Wada, F, Tahara, S, Sawamura, M, Noda, M, Hari, Y, Obika, S. | | Deposit date: | 2015-07-28 | | Release date: | 2016-07-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Effect of an N-substituent in sulfonamide-bridged nucleic acid (SuNA) on hybridization ability and duplex structure.
Org.Biomol.Chem., 14, 2016
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4GA2
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5EWO
 | | Crystal structure of the human astrovirus 1 capsid protein spike domain at 0.95-A resolution | | Descriptor: | SULFATE ION, Structural protein | | Authors: | Bogdanoff, W, York, R.L, Yousefi, P.A, Haile, S, Tripathi, S, DuBois, R.M. | | Deposit date: | 2015-11-20 | | Release date: | 2015-12-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Structural, Mechanistic, and Antigenic Characterization of the Human Astrovirus Capsid.
J.Virol., 90, 2015
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3LZ5
 | | Human aldose reductase mutant T113V complexed with IDD594 | | Descriptor: | Aldose Reductase, CITRIC ACID, IDD594, ... | | Authors: | Koch, C, Heine, A, Klebe, G. | | Deposit date: | 2010-03-01 | | Release date: | 2010-12-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
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7SJJ
 | | Crystal structure of photoactive yellow protein (PYP); F96oCNF construct | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Weaver, J.B, Kirsh, J.M, Boxer, S.G. | | Deposit date: | 2021-10-17 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022
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6RQI
 | | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3-fluorobenzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Heine, A, Klebe, G. | | Deposit date: | 2019-05-15 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.95 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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4UNU
 | | MCG - a dimer of lambda variable domains | | Descriptor: | IG LAMBDA CHAIN V-II REGION MGC, POLYETHYLENE GLYCOL (N=34), SULFATE ION | | Authors: | Brumshtein, B, Esswein, S.R, Landau, M, Ryan, C, Whitelegge, J, Casio, D, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2014-05-30 | | Release date: | 2014-08-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains.
J.Biol.Chem., 289, 2014
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7DC4
 | | Crystal structure of glycan-bound Pseudomonas taiwanensis lectin | | Descriptor: | Lectin, SULFATE ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose | | Authors: | Oda, K, Matoba, Y. | | Deposit date: | 2020-10-23 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Lectins engineered to favor a glycan-binding conformation have enhanced antiviral activity.
J.Biol.Chem., 296, 2021
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352D
 | | THE CRYSTAL STRUCTURE OF A PARALLEL-STRANDED PARALLEL-STRANDED GUANINE TETRAPLEX AT 0.95 ANGSTROM RESOLUTION | | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*GP*GP*GP*GP*T)-3'), SODIUM ION | | Authors: | Phillips, K, Dauter, Z, Murchie, A.I.H, Lilley, D.M.J, Luisi, B. | | Deposit date: | 1997-09-04 | | Release date: | 1997-11-10 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | The crystal structure of a parallel-stranded guanine tetraplex at 0.95 A resolution.
J.Mol.Biol., 273, 1997
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7A3H
 | | NATIVE ENDOGLUCANASE CEL5A CATALYTIC CORE DOMAIN AT 0.95 ANGSTROMS RESOLUTION | | Descriptor: | ENDOGLUCANASE, ETHANOL, GLYCEROL | | Authors: | Davies, G.J, Varrot, A, Dauter, M, Brzozowski, A.M, Schulein, M, Mackenzie, L, Withers, S.G. | | Deposit date: | 1998-08-05 | | Release date: | 1999-08-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase.
Biochemistry, 37, 1998
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3CNJ
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5M2H
 | | Crystal structure of vancomycin-Zn(II)-citrate complex | | Descriptor: | CITRIC ACID, HEXAETHYLENE GLYCOL, Vancomycin, ... | | Authors: | Zarkan, A, Macklyne, H.-R, Chirgadze, D.Y, Bond, A.D, Hesketh, A.R, Hong, H.-J. | | Deposit date: | 2016-10-13 | | Release date: | 2017-07-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Zn(II) mediates vancomycin polymerization and potentiates its antibiotic activity against resistant bacteria.
Sci Rep, 7, 2017
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3ODV
 | | X-ray structure of kaliotoxin by racemic protein crystallography | | Descriptor: | CITRIC ACID, Potassium channel toxin alpha-KTx 3.1, trifluoroacetic acid | | Authors: | Pentelute, B.L, Mandal, K, Gates, Z.P, Sawaya, M.R, Yeates, T.O, Kent, S.B.H. | | Deposit date: | 2010-08-11 | | Release date: | 2010-10-20 | | Last modified: | 2012-03-28 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Total chemical synthesis and X-ray structure of kaliotoxin by racemic protein crystallography.
Chem.Commun.(Camb.), 46, 2010
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6Y5S
 | | Crystal structure of savinase at cryogenic conditions | | Descriptor: | CALCIUM ION, SODIUM ION, Subtilisin Savinase | | Authors: | Wu, S, Moroz, O, Turkenburg, J, Nielsen, J.E, Wilson, K.S, Teilum, K. | | Deposit date: | 2020-02-25 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Conformational heterogeneity of Savinase from NMR, HDX-MS and X-ray diffraction analysis.
Peerj, 8, 2020
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5II6
 | | Crystal structure of the ZP-N1 domain of mouse sperm receptor ZP2 at 0.95 A resolution | | Descriptor: | Zona pellucida sperm-binding protein 2 | | Authors: | Dioguardi, E, Han, L, Nishimura, K, De Sanctis, D, Jovine, L. | | Deposit date: | 2016-03-01 | | Release date: | 2017-06-14 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
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2IDU
 | | Structure of M98Q mutant of amicyanin, Cu(I) | | Descriptor: | Amicyanin, COPPER (I) ION | | Authors: | Carrell, C.J, Ma, J.K, Antholine, W, Hosler, J.P, Mathews, F.S, Davidson, V.L. | | Deposit date: | 2006-09-15 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Generation of Novel Copper Sites by Mutation of the Axial Ligand of Amicyanin. Atomic Resolution Structures and Spectroscopic Properties
Biochemistry, 46, 2007
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6YIV
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2VHR
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8CNF
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6S9Z
 | | Expression tag modified N-terminus of human Carbonic Anhydrase II covalently linked to fragment | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3-[3,4-bis(fluoranyl)phenyl]-5-methyl-1$l^{4},4,5$l^{4},7-tetrazabicyclo[4.3.0]nona-1(6),2,4-triene, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Heine, A, Klebe, G. | | Deposit date: | 2019-07-15 | | Release date: | 2020-04-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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6SAY
 | | Human Carbonic Anhydrase II in complex with fragment. | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, (8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Heine, A, Klebe, G. | | Deposit date: | 2019-07-18 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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6SBH
 | | Human Carbonic Anhydrase II in complex with 4-pentylbenzenesulfonamide. | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-pentylbenzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2019-07-20 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
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6SBM
 | | Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-pentoxybenzenesulfonamide, CITRATE ANION, ... | | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2019-07-21 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide
To Be Published
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6J64
 | | Crystal structure of human HINT1 mutant complexing with AP4A | | Descriptor: | 2-AMINOETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1 | | Authors: | Wang, J, Fang, P, Guo, M. | | Deposit date: | 2019-01-14 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
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