5SAN
| Endothiapepsin in complex with compound FU5-4 | Descriptor: | (2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide, Endothiapepsin, GLYCEROL | Authors: | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | Deposit date: | 2021-05-28 | Release date: | 2021-09-01 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallogr D Struct Biol, 77, 2021
|
|
3M4H
| Human Aldose Reductase mutant T113V complexed with IDD388 | Descriptor: | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, BROMIDE ION, ... | Authors: | Koch, C, Heine, A, Klebe, G. | Deposit date: | 2010-03-11 | Release date: | 2010-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors J.Mol.Biol., 406, 2011
|
|
1ZFF
| TTC Duplex B-DNA | Descriptor: | 5'-D(*CP*CP*GP*AP*AP*TP*TP*CP*GP*G)-3' | Authors: | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | Deposit date: | 2005-04-20 | Release date: | 2005-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | How sequence defines structure: a crystallographic map of DNA structure and conformation. Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
1GVK
| Porcine pancreatic elastase acyl enzyme at 0.95 A resolution | Descriptor: | CALCIUM ION, ELASTASE 1, PEPTIDE INHIBITOR, ... | Authors: | Katona, G, Wilmouth, R.C, Wright, P.A, Berglund, G.I, Hajdu, J, Neutze, R, Schofield, C.J. | Deposit date: | 2002-02-14 | Release date: | 2002-07-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | X-Ray Structure of a Serine Protease Acyl-Enzyme Complex at 0.95-A Resolution. J.Biol.Chem., 277, 2002
|
|
8QXQ
| PsiM in complex with SAH and psilocybin | Descriptor: | CHLORIDE ION, Psilocybin synthase, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Werten, S, Hudspeth, J, Rupp, B. | Deposit date: | 2023-10-24 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Methyl transfer in psilocybin biosynthesis. Nat Commun, 15, 2024
|
|
2ZQ7
| Apo structure of Class A beta-lactamase Toho-1 E166A/R274N/R276N triple mutant | Descriptor: | Beta-lactamase Toho-1, SULFATE ION | Authors: | Shimamura, T, Nitanai, Y, Uchiyama, T, Ago, H, Matsuzawa, H, Miyano, M. | Deposit date: | 2008-08-07 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Improvement of the Crystal Quality by the Surface Mutations on a Beta-Lactamase Toho-1 To be Published
|
|
1NLS
| CONCANAVALIN A AND ITS BOUND SOLVENT AT 0.94A RESOLUTION | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION | Authors: | Deacon, A.M, Gleichmann, T, Helliwell, J.R, Kalb(Gilboa), A.J. | Deposit date: | 1997-01-28 | Release date: | 1997-11-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | The Structure of Concanavalin a and its Bound Solvent Determined with Small-Molecule Accuracy at 0.94 A Resolution J.Chem.Soc.,Faraday Trans., 93, 1997
|
|
3QMA
| Blackfin tuna myoglobin imidazole complex, atomic resolution | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Myoglobin, ... | Authors: | de Serrano, V.S, Rodriguez, M.M, Schreiter, E.R. | Deposit date: | 2011-02-03 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | High Resolution Structures of Blackfin Tuna Myoglobin To be Published
|
|
5RVI
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000084843283 | Descriptor: | CHLORZOXAZONE, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
|
|
2GLK
| High-resolution study of D-Xylose isomerase, 0.94A resolution. | Descriptor: | GLYCEROL, MANGANESE (II) ION, Xylose isomerase | Authors: | Katz, A.K, Carrell, H.L, Hanson, B.L, Harp, J.M, Glusker, J.P, Bunick, G.J. | Deposit date: | 2006-04-05 | Release date: | 2006-05-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Locating active-site hydrogen atoms in D-xylose isomerase: Time-of-flight neutron diffraction. Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
2UU8
| X-ray structure of Ni, Ca concanavalin A at Ultra-high resolution (0. 94A) | Descriptor: | CALCIUM ION, CONCANAVALIN, NICKEL (II) ION | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-03-01 | Release date: | 2007-07-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
|
|
2GUD
| |
4QB3
| Crystal structure of the first bromodomain of human BRD4 in complex with Olinone | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[4-(1-oxo-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)butyl]acetamide | Authors: | Plotnikov, A.N, Joshua, J, Zhou, M.-M. | Deposit date: | 2014-05-06 | Release date: | 2015-04-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Selective chemical modulation of gene transcription favors oligodendrocyte lineage progression. Chem.Biol., 21, 2014
|
|
2PPP
| |
3QR7
| Crystal structure of the C-terminal fragment of the bacteriophage P2 membrane-piercing protein gpV | Descriptor: | Baseplate assembly protein V, CALCIUM ION, CHLORIDE ION, ... | Authors: | Browning, C, Shneider, M, Leiman, P.G. | Deposit date: | 2011-02-17 | Release date: | 2012-02-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Phage pierces the host cell membrane with the iron-loaded spike. Structure, 20, 2012
|
|
1KWF
| Atomic Resolution Structure of an Inverting Glycosidase in Complex with Substrate | Descriptor: | Endoglucanase A, beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Guerin, D.M.A, Lascombe, M.-B, Costabel, M, Souchon, H, Lamzin, V, Beguin, P, Alzari, P.M. | Deposit date: | 2002-01-29 | Release date: | 2002-03-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Atomic (0.94 A) resolution structure of an inverting glycosidase in complex with substrate. J.Mol.Biol., 316, 2002
|
|
6RZH
| Galectin-3C in complex with para-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.947 Å) | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C. Jacs Au, 1, 2021
|
|
6RH4
| Human Carbonic Anhydrase II in complex with 4-Nitrobenzenesulfonamide. | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-nitrobenzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-04-18 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.948 Å) | Cite: | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
|
|
5R3C
| PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 36, 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 (0.949 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
4MZC
| Atomic Resolution Structure of PfGrx1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin | Authors: | Yogavel, M, Sharma, A. | Deposit date: | 2013-09-30 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.949 Å) | Cite: | Atomic resolution crystal structure of glutaredoxin 1 from Plasmodium falciparum and comparison with other glutaredoxins. Acta Crystallogr.,Sect.D, 70, 2014
|
|
8B66
| |
6YTU
| Atomic-resolution structure of the coiled-coil dimerisation domain of human Arc | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Activity-regulated cytoskeleton-associated protein, CHLORIDE ION | Authors: | Hallin, E.I, Touma, C, Bramham, C.R, Kursula, P. | Deposit date: | 2020-04-24 | Release date: | 2021-03-03 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Arc self-association and formation of virus-like capsids are mediated by an N-terminal helical coil motif. Febs J., 288, 2021
|
|
1MJ5
| LINB (haloalkane dehalogenase) from sphingomonas paucimobilis UT26 at atomic resolution | Descriptor: | 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, CHLORIDE ION, MAGNESIUM ION | Authors: | Oakley, A.J, Damborsky, J, Wilce, M.C. | Deposit date: | 2002-08-27 | Release date: | 2003-08-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Crystal structure of haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26 at 0.95 A resolution: dynamics of catalytic residues. Biochemistry, 43, 2004
|
|
4F19
| Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with arsenate at pH 4.5 | Descriptor: | Putative alkaline phosphatase, hydrogen arsenate | Authors: | Elias, M, Wellner, A, Goldin, K, Chabriere, E, Tawfik, D.S. | Deposit date: | 2012-05-06 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The molecular basis of phosphate discrimination in arsenate-rich environments. Nature, 491, 2012
|
|
1WY3
| Chicken villin subdomain HP-35, K65(NLE), N68H, pH7.0 | Descriptor: | Villin | Authors: | Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R. | Deposit date: | 2005-02-04 | Release date: | 2005-05-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein. Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|