3VQ9
 
 | | HIV-1 IN core domain in complex with 6-fluoro-1,3-benzothiazol-2-amine | | Descriptor: | 6-fluoro-1,3-benzothiazol-2-amine, POL polyprotein | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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3VQP
 | | HIV-1 IN core domain in complex with 2,3-dihydro-1,4-benzodioxin-5-ylmethanol | | Descriptor: | 2,3-dihydro-1,4-benzodioxin-5-ylmethanol, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-29 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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2OBA
 | | Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase | | Descriptor: | Probable 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION | | Authors: | McGrath, T.E, Kisselman, G, Battaile, K, Romanov, V, Wu-Brown, J, Guthrie, J, Virag, C, Mansoury, K, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2006-12-18 | | Release date: | 2007-01-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase
TO BE PUBLISHED
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7JNC
 | | cryo-EM structure of human proton-activated chloride channel PAC at pH 4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Proton-activated chloride channel | | Authors: | Lu, W, Ruan, R, Du, J. | | Deposit date: | 2020-08-04 | | Release date: | 2020-11-11 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Structures and pH-sensing mechanism of the proton-activated chloride channel.
Nature, 588, 2020
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4JGJ
 | | Crystal structure of the Ig-like D1 domain from mouse Carcinoembryogenic antigen-related cell adhesion molecule 15 (CEACAM15) [PSI-NYSGRC-005691] | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carcinoembryonic antigen-related cell adhesion molecule 15, Unknown peptide | | Authors: | Kumar, P.R, Bonanno, J, Ahmed, M, Banu, R, Bhosle, R, Calarese, D, Celikigil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S, Glenn, A.S, Hillerich, B, Khafizov, K, Love, J, Patel, H, Seidel, R, Stead, M, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2013-03-01 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6508 Å) | | Cite: | Crystal structure of the Ig-like D1 domain of CEACAM15 from Mus musculus [NYSGRC-005691]
to be published
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9EUU
 | | Structure of recombinant alpha-synuclein fibrils 1B capable of seeding GCIs in vivo | | Descriptor: | Alpha-synuclein | | Authors: | Burger, D, Kashyrina, M, Lewis, A, De Nuccio, F, Mohammed, I, de La Seigliere, H, van den Heuvel, L, Feuillie, C, Verchere, J, Berbon, M, Arotcarena, M, Retailleau, A, Bezard, E, Laferriere, F, Loquet, A, Bousset, L, Baron, T, Lofrumento, D.D, De Giorgi, F, Stahlberg, H, Ichas, F. | | Deposit date: | 2024-03-28 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (1.93 Å) | | Cite: | Multiple System Atrophy: Insights from aSyn Fibril Structure
To Be Published
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6GNO
 | | Crystal Structure Of Sea Bream Transthyretin in complex with Tetrabromobisphenol A (TBBPA) | | Descriptor: | 4,4'-propane-2,2-diylbis(2,6-dibromophenol), SULFATE ION, Transthyretin | | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | Deposit date: | 2018-05-31 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
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2UV7
 | | Crystal Structure of a CBS domain pair from the regulatory gamma1 subunit of human AMPK in complex with AMP | | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ADENOSINE MONOPHOSPHATE | | Authors: | Day, P, Sharff, A, Parra, L, Cleasby, A, Williams, M, Horer, S, Nar, H, Redemann, N, Tickle, I, Yon, J. | | Deposit date: | 2007-03-09 | | Release date: | 2007-05-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a Cbs-Domain Pair from the Regulatory Gamma1 Subunit of Human Ampk in Complex with AMP and Zmp.
Acta Crystallogr.,Sect.D, 63, 2007
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2UXY
 | | Aliphatic amidase | | Descriptor: | ALIPHATIC AMIDASE, SULFATE ION | | Authors: | Andrade, J, KArmali, A, Carrondo, M.A, Frazao, C. | | Deposit date: | 2007-04-02 | | Release date: | 2007-04-17 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structure of Amidase from Pseudomonas Aeruginosa Showing a Trapped Acyl Transfer Reaction Intermediate State.
J.Biol.Chem., 282, 2007
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2OAX
 | | Crystal structure of the S810L mutant mineralocorticoid receptor associated with SC9420 | | Descriptor: | Mineralocorticoid receptor, SPIRONOLACTONE | | Authors: | Huyet, J, Pinon, G.M, Fay, M.R, Rafestin-Oblin, M.E, Fagart, J. | | Deposit date: | 2006-12-18 | | Release date: | 2007-08-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural basis of spirolactone recognition by the mineralocorticoid receptor
Mol.Pharmacol., 72, 2007
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6ELE
 | | FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery | | Descriptor: | 1,2-ETHANEDIOL, SODIUM ION, fAB heavy chain, ... | | Authors: | Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G. | | Deposit date: | 2017-09-28 | | Release date: | 2017-11-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
To Be Published
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4PJD
 | | Structure of human MR1-5-OP-RU in complex with human MAIT C-C10 TCR | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2014-05-12 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
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5OJK
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8U7H
 | | Cryo-EM structure of LRRK2 bound to type I inhibitor GNE-7915 | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone, non-specific serine/threonine protein kinase | | Authors: | Zhu, H, Sun, J. | | Deposit date: | 2023-09-15 | | Release date: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Pharmacology of LRRK2 with type I and II kinase inhibitors revealed by cryo-EM.
Cell Discov, 10, 2024
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2VBL
 | | Molecular basis of human XPC gene recognition and cleavage by engineered homing endonuclease heterodimers | | Descriptor: | 5'-D(*DA*DA*DA*DA*DG*DG*DC*DA*DG*DAP)-3', 5'-D(*DA*DG*DG*DA*DT*DC*DC*DT*DA*DAP)-3', 5'-D(*DT*DC*DT*DG*DC*DC*DT*DT*DT*DT*DT*DT *DGP*DAP)-3', ... | | Authors: | Redondo, P, Prieto, J, Munoz, I.G, Alibes, A, Stricher, F, Serrano, L, Arnould, S, Perez, C, Cabaniols, J.P, Duchateau, P, Paques, F, Blanco, F.J, Montoya, G. | | Deposit date: | 2007-09-14 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular Basis of Xeroderma Pigmentosum Group C DNA Recognition by Engineered Meganucleases
Nature, 456, 2008
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4PLJ
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2V00
 | | X-ray crystal structure of endothiapepsin complexed with compound 1 | | Descriptor: | 2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE, ACETATE ION, ENDOTHIAPEPSIN, ... | | Authors: | Geschwindner, S, Olsson, L.L, Deinum, J, Albert, J.S, Edwards, P.D, De Beer, T, Folmer, R.H.A. | | Deposit date: | 2007-05-03 | | Release date: | 2007-12-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of a Novel Warhead Against Beta-Secretase Through Fragment-Based Lead Generation.
J.Med.Chem., 50, 2007
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6GNW
 | | Crystal Structure Of Sea Bream Transthyretin in complex with 2,4,5-trichlorophenoxyacetic acid (2,4,5-T) | | Descriptor: | 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid, Transthyretin | | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | Deposit date: | 2018-05-31 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
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7K81
 | | KIR3DL1*005 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, Beta-2-microglobulin, ... | | Authors: | MacLachlan, B.J, Rossjohn, J, Vivian, J.P. | | Deposit date: | 2020-09-24 | | Release date: | 2020-12-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1.
J Immunol., 206, 2021
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4N1G
 | | Crystal Structure of Ca(2+)- discharged F88Y obelin mutant from Obelia longissima at 1.50 Angstrom resolution | | Descriptor: | CALCIUM ION, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, Obelin | | Authors: | Natashin, P.V, Markova, S.V, Lee, J, Vysotski, E.S, Liu, Z.J. | | Deposit date: | 2013-10-04 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of the F88Y obelin mutant before and after bioluminescence provide molecular insight into spectral tuning among hydromedusan photoproteins
Febs J., 281, 2014
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4HFX
 | | Crystal structure of a transcription elongation factor B polypeptide 3 from Homo sapiens, Northeast Structural Genomics consortium target id HR4748B. | | Descriptor: | SULFATE ION, Transcription elongation factor B polypeptide 3 | | Authors: | Seetharaman, J, Su, M, Ciccosanti, C, Sahdev, S, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-10-05 | | Release date: | 2012-12-12 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Crystal structure of a transcription elongation factor B polypeptide 3 from Homo sapiens, Northeast Structural Genomics consortium target id HR4748B. (CASP Target)
TO BE PUBLISHED
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4HG6
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2UWB
 | | Crystal structure of the Nasturtium seedling mutant xyloglucanase isoform NXG1-delta-YNIIG | | Descriptor: | CELLULASE | | Authors: | Baumann, M.J, Eklof, J, Michel, G, Kallasa, A, Teeri, T.T, Brumer, H, Czjzek, M. | | Deposit date: | 2007-03-20 | | Release date: | 2007-06-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Evidence for the Evolution of Xyloglucanase Activity from Xyloglucan Endo-Transglycosylases: Biological Implications for Cell Wall Metabolism.
Plant Cell, 19, 2007
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4GNG
 | | Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3K9me3 peptide | | Descriptor: | GLYCEROL, Histone H3.3, Histone-lysine N-methyltransferase NSD3, ... | | Authors: | Li, F, He, C, Wu, J, Shi, Y. | | Deposit date: | 2012-08-17 | | Release date: | 2013-01-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
J.Biol.Chem., 288, 2013
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2UXM
 | | X-ray high resolution structure of the photosynthetic reaction center from Rb. sphaeroides at pH 10 in the charge-separated state, 2nd dataset | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | | Authors: | Koepke, J, Diehm, R, Fritzsch, G. | | Deposit date: | 2007-03-28 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Ph Modulates the Quinone Position in the Photosynthetic Reaction Center from Rhodobacter Sphaeroides in the Neutral and Charge Separated States.
J.Mol.Biol., 371, 2007
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