4BJ0
| Xyloglucan binding module (CBM4-2 X2-L110F) in complex with branched xyloses | Descriptor: | CALCIUM ION, XYLANASE, alpha-D-glucopyranose, ... | Authors: | Schantz, L, Hakansson, M, Logan, D.T, Nordberg-Karlsson, E, Ohlin, M. | Deposit date: | 2013-04-15 | Release date: | 2014-04-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Carbohydrate Binding Module Recognition of Xyloglucan Defined by Polar Contacts with Branching Xyloses and Ch-Pi Interactions. Proteins, 82, 2014
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1C0Q
| COMPLEX OF VANCOMYCIN WITH 2-ACETOXY-D-PROPANOIC ACID | Descriptor: | CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ... | Authors: | Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H. | Deposit date: | 1999-07-20 | Release date: | 1999-07-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Vancomycin binding to low-affinity ligands: delineating a minimum set of interactions necessary for high-affinity binding. J.Med.Chem., 42, 1999
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2BV4
| 1.0A Structure of Chromobacterium Violaceum Lectin in Complex with alpha-methyl-mannoside | Descriptor: | CALCIUM ION, LECTIN CV-IIL, methyl alpha-D-mannopyranoside | Authors: | Pokorna, M, Cioci, G, Perret, S, Rebuffet, E, Adam, J, Gilboa-Garber, N, Mitchell, E.P, Imberty, A, Wimmerova, M. | Deposit date: | 2005-06-22 | Release date: | 2006-05-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Unusual Entropy Driven Affinity of Chromobacterium Violaceum Lectin Cv-Iil Towards Fucose and Mannose Biochemistry, 45, 2006
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2RBK
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7SNE
| Pertussis toxin S1 subunit bound to BaAD | Descriptor: | Pertussis toxin subunit 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | Authors: | Littler, D.R, Beddoe, T. | Deposit date: | 2021-10-28 | Release date: | 2022-04-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.00011 Å) | Cite: | Crystal structures of pertussis toxin with NAD + and analogs provide structural insights into the mechanism of its cytosolic ADP-ribosylation activity. J.Biol.Chem., 298, 2022
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4UBZ
| Crystal structure of a prion peptide | Descriptor: | SODIUM ION, prion peptide | Authors: | Yu, L, Lee, S.-J, Yee, V. | Deposit date: | 2014-08-13 | Release date: | 2015-05-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.001 Å) | Cite: | Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations. Biochemistry, 54, 2015
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4W67
| Crystal structure of Prp peptide | Descriptor: | PrP peptide | Authors: | Yu, L, Lee, S.-J, Yee, V. | Deposit date: | 2014-08-20 | Release date: | 2015-05-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.001 Å) | Cite: | Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations. Biochemistry, 54, 2015
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4YPO
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3ZUC
| Structure of CBM3b of major scaffoldin subunit ScaA from Acetivibrio cellulolyticus determined from the crystals grown in the presence of Nickel | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CELLULOSOMAL SCAFFOLDIN, ... | Authors: | Yaniv, O, Halfon, Y, Lamed, R, Frolow, F. | Deposit date: | 2011-07-18 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.001 Å) | Cite: | Structure of Cbm3B of the Major Scaffoldin Subunit Scaa from Acetivibrio Cellulolyticus Acta Crystallogr.,Sect.F, 68, 2012
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7PGX
| Structure of dark-adapted AsLOV2 wild type | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Gelfert, R, Weyand, M, Moeglich, A. | Deposit date: | 2021-08-16 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.001 Å) | Cite: | Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine. Nat Commun, 13, 2022
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7RVC
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5WIA
| Crystal structure of the segment, GNNSYS, from the low complexity domain of TDP-43, residues 370-375 | Descriptor: | TAR DNA-binding protein 43 | Authors: | Guenther, E.L, Trinh, H, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2017-07-18 | Release date: | 2018-04-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.002 Å) | Cite: | Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation. Nat. Struct. Mol. Biol., 25, 2018
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3TEU
| Crystal structure of fibcon | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Fibcon | Authors: | Luo, J, Jacobs, S, Teplyakov, A, Obmolova, G, O'Neil, K, Gilliland, G. | Deposit date: | 2011-08-15 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.002 Å) | Cite: | Design of novel FN3 domains with high stability by a consensus sequence approach. Protein Eng.Des.Sel., 25, 2012
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5VXQ
| X-Ray crystallography structure of the parallel stranded duplex formed by 5-rA5-dA-rA5 | Descriptor: | AMMONIUM ION, DNA/RNA (5'-R(*AP*AP*AP*AP*A)-D(P*A)-R(P*AP*AP*AP*AP*A)-3') | Authors: | Xie, J, Chen, Y, Wei, X, Kozlov, G, Gehring, K. | Deposit date: | 2017-05-23 | Release date: | 2017-08-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.002 Å) | Cite: | Influence of nucleotide modifications at the C2' position on the Hoogsteen base-paired parallel-stranded duplex of poly(A) RNA. Nucleic Acids Res., 45, 2017
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7RVD
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6RIT
| Human Carbonic Anhydrase II in complex with 2-Fluorobenzenesulfonamide | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2-fluorobenzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-04-25 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.007 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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6UOQ
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5R2J
| PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 06, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.007 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5R2M
| PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 10, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.008 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5MNE
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5R2Y
| PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 22, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.008 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5R3E
| PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 38, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.008 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5R2I
| PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 05, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.008 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5R36
| PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 30, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.008 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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6Q7B
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL09 | Descriptor: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-12-13 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.009 Å) | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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