4GJG
 
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4WLT
 | | High pressure protein crystallography of hen egg white lysozyme at 190 MPa | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Yamada, H, Nagae, T, Watanabe, N. | | Deposit date: | 2014-10-08 | | Release date: | 2015-04-08 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
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1F8T
 | | FAB (LNKB-2) OF MONOCLONAL ANTIBODY, CRYSTAL STRUCTURE | | Descriptor: | ANTIBODY FAB FRAGMENT (HEAVY CHAIN), ANTIBODY FAB FRAGMENT (LIGHT CHAIN) | | Authors: | Fokin, A.V, Afonin, P.V, Mikhailova, I.I, Tsygannik, I.N, Mareeva, T.I. | | Deposit date: | 2000-07-05 | | Release date: | 2001-07-05 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Spatial structure of a Fab-fragment of a monoclonal antibody to human interleukin-2 in two crystalline forms at a resolution of 2.2 and 2.9 angstroms
Bioorg.Khim., 26, 2000
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5XJS
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6GJI
 | | Cyclophilin A complexed with the tri-vector ligand 8. | | Descriptor: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate | | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | | Deposit date: | 2018-05-16 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
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5A59
 | | The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with T-antigen | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ... | | Authors: | Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2015-06-16 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
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5XGY
 | | Crystal structure of peptidoglycan recognition protein (PGRP-S) at 2.45 A resolution | | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, Peptidoglycan recognition protein 1 | | Authors: | Shokeen, A, Sharma, P, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2017-04-18 | | Release date: | 2017-05-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of peptidoglycan recognition protein (PGRP-S) at 2.45 A resolution
To Be Published
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5A2J
 | | Crystal structure of scFv-SM3 in complex with the naked peptide APDTRP | | Descriptor: | 1,2-ETHANEDIOL, SCFV-SM3, THE NAKED PEPTIDE APDTRP | | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | | Deposit date: | 2015-05-20 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4WLW
 | | CRYSTAL STRUCTURE OF THE AG(I) (ACTIVATOR) FORM OF E. COLI CUER, A COPPER EFFLUX REGULATOR, BOUND TO COPA PROMOTER DNA | | Descriptor: | DNA NON-TEMPLATE STRAND (5-D(*DGP*DAP*DCP*DCP *DTP*DTP*DCP*DCP*DCP*DCP*DTP*DTP*DGP*DCP*DTP*DGP*DGP*DAP *DAP*DGP*DGP*DTP*DC)-3, DNA TEMPLATE STRAND (5-D(*DGP*DAP*DCP*DCP*DTP *DTP*DCP*DCP*DAP*DGP*DCP*DAP*DAP*DGP*DGP*DGP*DGP*DAP*DAP *DGP*DGP*DTP*DC)-3, HTH-type transcriptional regulator CueR, ... | | Authors: | Philips, S.J, Canalizo-Hernandez, M, Mondragon, A, O'Halloran, T.V. | | Deposit date: | 2014-10-08 | | Release date: | 2015-09-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | TRANSCRIPTION. Allosteric transcriptional regulation via changes in the overall topology of the core promoter.
Science, 349, 2015
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5A38
 | | Mutations in the Calponin homology domain of Alpha-Actinin-2 affect Actin binding and incorporation in muscle. | | Descriptor: | ALPHA-ACTININ-2 | | Authors: | Haywood, N.J, Wolny, M, Trinh, C.H, Shuping, Y, Edwards, T.A, Peckham, M. | | Deposit date: | 2015-05-27 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Hypertrophic Cardiomyopathy Mutations in the Calponin-Homology Domain of Actn2 Affect Actin Binding and Cardiomyocyte Z-Disc Incorporation.
Biochem.J., 473, 2016
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4GKA
 | | Crystal structure of purine nucleoside phosphorylase (W16Y, W94Y, W178Y, H257W) mutant from human complexed with phosphate | | Descriptor: | GLYCEROL, PHOSPHATE ION, Purine nucleoside phosphorylase | | Authors: | Haapalainen, A.M, Ho, M.C, Suarez, J.J, Almo, S.C, Schramm, V.L. | | Deposit date: | 2012-08-10 | | Release date: | 2013-02-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Catalytic Site Conformations in Human PNP by (19)F-NMR and Crystallography.
Chem.Biol., 20, 2013
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8D8W
 | | Crystal structure of ChoE with Ser38 adopting alternative conformations | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ChoE, IODIDE ION | | Authors: | Pham, V.D, Shi, R. | | Deposit date: | 2022-06-09 | | Release date: | 2023-06-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases
To be published
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4WJ5
 | | Structure of HLA-A2 in complex with an altered peptide ligands based on Mart-1 variant epitope | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Celie, P.H.N, Rodenko, B, Ovaa, H. | | Deposit date: | 2014-09-29 | | Release date: | 2014-10-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Altered Peptide Ligands Revisited: Vaccine Design through Chemically Modified HLA-A2-Restricted T Cell Epitopes.
J Immunol., 193, 2014
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4GL0
 | | Putative spermidine/putrescine ABC transporter from Listeria monocytogenes | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Lmo0810 protein, ... | | Authors: | Osipiuk, J, Zhou, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-08-13 | | Release date: | 2012-08-22 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Putative spermidine/putrescine ABC transporter from Listeria monocytogenes
To be Published
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5A4W
 | | AtGSTF2 from Arabidopsis thaliana in complex with quercetrin | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, ACETATE ION, GLUTATHIONE S-TRANSFERASE F2 | | Authors: | Ahmad, L, Rylott, E, Bruce, N.C, Edwards, R, Grogan, G. | | Deposit date: | 2015-06-15 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands.
FEBS Open Bio, 7, 2017
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4WFG
 | | Human TRAAK K+ channel in a Tl+ bound conductive conformation | | Descriptor: | ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN, ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN, CALCIUM ION, ... | | Authors: | Brohawn, S.G, MacKinnon, R. | | Deposit date: | 2014-09-15 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Physical mechanism for gating and mechanosensitivity of the human TRAAK K+ channel.
Nature, 516, 2014
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5XKQ
 | | Crystal structure of Msmeg3575 in complex with ammeline | | Descriptor: | 4,6-diamino-1,3,5-triazin-2-ol, ACETATE ION, CMP/dCMP deaminase, ... | | Authors: | Gaded, V.M, Anand, R. | | Deposit date: | 2017-05-09 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Selective Deamination of Mutagens by a Mycobacterial Enzyme
J. Am. Chem. Soc., 139, 2017
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8D8Y
 | | Crystal structure of ChoE N147A mutant in complex with acetylthiocholine | | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETYLTHIOCHOLINE, CHLORIDE ION, ... | | Authors: | Pham, V.D, Shi, R. | | Deposit date: | 2022-06-09 | | Release date: | 2023-06-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases
To be published
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6GMZ
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5A5N
 | | Crystal structure of human ATAD2 bromodomain in complex with (2S)-2,6- diacetamido-N-methylhexanamide | | Descriptor: | (2S)-2,6-diacetamido-N-methyl-hexanamide, 1,2-ETHANEDIOL, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ... | | Authors: | Chung, C, Bamborough, P, Demont, E. | | Deposit date: | 2015-06-20 | | Release date: | 2015-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
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5XHN
 | | Crystal structure of Frog M-ferritin K104E mutant | | Descriptor: | CHLORIDE ION, Ferritin, middle subunit, ... | | Authors: | Jagdev, M.K, Vasudevan, D. | | Deposit date: | 2017-04-21 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Surface charge dependent separation of modified and hybrid ferritin in native PAGE: Impact of lysine 104
Biochim. Biophys. Acta, 1865, 2017
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4GLW
 | | DNA ligase A in complex with inhibitor | | Descriptor: | 7-methoxy-6-methylpteridine-2,4-diamine, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ... | | Authors: | Prade, L, Lange, R, Tidten-Luksch, N, Chambovey, A. | | Deposit date: | 2012-08-15 | | Release date: | 2012-10-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity.
Bioorg.Med.Chem.Lett., 22, 2012
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5AG5
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | | Descriptor: | (2R)-3-benzyl-2-(1H-indazol-5-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | Deposit date: | 2015-01-29 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
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8D9Z
 | | Crystal structure of Cobra alpha-neurotoxin in complex with Centi-LNX-D09 antibody | | Descriptor: | ACETATE ION, Centi-LNX-D09 Fab heavy chain, Centi-LNX-D09 Fab light chain, ... | | Authors: | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | | Deposit date: | 2022-06-12 | | Release date: | 2023-06-14 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Venom protection by antibody from a snakebite hyperimmune subject
To Be Published
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5AED
 | | A bacterial protein structure in glycoside hydrolase family 31 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-GLUCOSIDASE YIHQ, CALCIUM ION | | Authors: | Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D. | | Deposit date: | 2015-08-28 | | Release date: | 2016-02-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids.
Nat.Chem.Biol., 12, 2016
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