6DW3
 
 | | SAMHD1 Bound to Cytarabine-TP in the Catalytic Pocket | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DWS
 | | Crystal structure of human GRP78 in complex with (2R,3R,4S,5R)-2-(6-amino-8-((2-chlorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | | Descriptor: | 8-{[(2-chlorophenyl)methyl]amino}adenosine, Endoplasmic reticulum chaperone BiP, MAGNESIUM ION | | Authors: | Chen, Y, Antoshchenko, T, Smil, D, Zepeda, C, Huang, Y, Park, H.W. | | Deposit date: | 2018-06-27 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of human GRP78 in complex with (2R,3R,4S,5R)-2-(6-amino-8-((2-chlorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
To Be Published
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2IAH
 | | Crystal structure of the ferripyoverdine receptor of the outer membrane of Pseudomonas aeruginosa bound to ferripyoverdine. | | Descriptor: | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM, FE (III) ION, Ferripyoverdine receptor, ... | | Authors: | Wirth, C, Pattus, F, Cobessi, D. | | Deposit date: | 2006-09-08 | | Release date: | 2007-09-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | From the periplasmic signaling domain to the extracellular face of an outer membrane signal transducer of Pseudomonas aeruginosa: crystal structure of the ferric pyoverdine outer membrane receptor.
J.Mol.Biol., 368, 2007
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6DXY
 | | Murine N-acylethanolamine-hydrolyzing acid amidase (NAAA) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ... | | Authors: | Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. | | Deposit date: | 2018-07-01 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2IB6
 | | Structural characterization of a blue chromoprotein and its yellow mutant from the sea anemone cnidopus japonicus | | Descriptor: | PHOSPHATE ION, Yellow mutant chromo protein | | Authors: | Chan, M.C.Y, Bosanac, I, Ho, D, Prive, G, Ikura, M. | | Deposit date: | 2006-09-10 | | Release date: | 2006-10-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Characterization of a Blue Chromoprotein and Its Yellow Mutant from the Sea Anemone Cnidopus Japonicus
J.Biol.Chem., 281, 2006
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6DIH
 | | Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound PH004941 | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxybenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-05-23 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
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2HZ4
 | | Abl kinase domain unligated and in complex with tetrahydrostaurosporine | | Descriptor: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | | Deposit date: | 2006-08-08 | | Release date: | 2007-01-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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2I9O
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6DKQ
 | | Crystal structure of the Shr Hemoglobin Interacting Domain 2 | | Descriptor: | Heme-binding protein Shr, SULFATE ION | | Authors: | Macdonald, R, Cascio, D, Collazo, M.J, Clubb, R.T. | | Deposit date: | 2018-05-30 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Streptococcus pyogenes Shr protein captures human hemoglobin using two structurally unique binding domains.
J.Biol.Chem., 293, 2018
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6DLE
 | | Crystal structure of IgLON5 homodimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IgLON family member 5 | | Authors: | Ranaivoson, F.M, Turk, L.S, Ozkan, E, Montelione, G.T, Comoletti, D. | | Deposit date: | 2018-06-01 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.994 Å) | | Cite: | Structure of a heterodimer of neuronal cell surface proteins
Structure, 2019
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6DN0
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2I37
 | | Crystal structure of a photoactivated rhodopsin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Rhodopsin, ... | | Authors: | Lodowski, D.T, Stenkamp, R.E, Salom, D, Le Trong, I, Palczewski, K. | | Deposit date: | 2006-08-17 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (4.15 Å) | | Cite: | Crystal structure of a photoactivated deprotonated intermediate of rhodopsin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2I61
 | | Depressant anti-insect neurotoxin, LqhIT2 from Leiurus quinquestriatus hebraeus | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CARBON DIOXIDE, ... | | Authors: | Frolow, F, Gurevitz, M, Karbat, I, Turkov, M, Gordon, D. | | Deposit date: | 2006-08-27 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | X-ray Structure and Mutagenesis of the Scorpion Depressant Toxin LqhIT2 Reveals Key Determinants Crucial for Activity and Anti-Insect Selectivity.
J.Mol.Biol., 366, 2007
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4G06
 | | Crystal structure of protein SP_0782 (7-79) from Streptococcus pneumoniae complexed with ssDNA. Northeast Structural Genomics Consortium (NESG) target SPR104 | | Descriptor: | DI(HYDROXYETHYL)ETHER, THYMIDINE-5'-MONOPHOSPHATE, Uncharacterized protein | | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-07-09 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.905 Å) | | Cite: | Northeast Structural Genomics Consortium Target SpR104
To be Published
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2I9T
 | | Structure of NF-kB p65-p50 heterodimer bound to PRDII element of B-interferon promoter | | Descriptor: | 5'-D(*AP*GP*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*TP*CP*TP*G)-3', 5'-D(*CP*AP*GP*AP*GP*GP*AP*AP*TP*TP*TP*CP*CP*CP*AP*CP*T)-3', Nuclear factor NF-kappa-B p105 subunit, ... | | Authors: | Escalante, C.R, Shen, L, Thanos, D, Aggarwal, A.K. | | Deposit date: | 2006-09-06 | | Release date: | 2007-02-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of NF-kappaB p50/p65 heterodimer bound to the PRDII DNA element from the interferon-beta promoter
Structure, 10, 2002
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4G56
 | | Crystal Structure of full length PRMT5/MEP50 complexes from Xenopus laevis | | Descriptor: | Hsl7 protein, MGC81050 protein, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Ho, M, Wilczek, C, Bonanno, J, Shechter, D, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-03 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure of the arginine methyltransferase PRMT5-MEP50 reveals a mechanism for substrate specificity
Plos One, 8, 2013
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6DW5
 | | SAMHD1 Bound to Gemcitabine-TP in the Catalytic Pocket | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4G9B
 | | Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid | | Descriptor: | Beta-phosphoglucomutase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-07-23 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid
To be Published
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4BVK
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6DY1
 | | Rabbit N-acylethanolamine-hydrolyzing acid amidase (NAAA) with fatty acid (myristate), in presence of Triton X-100 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, CHLORIDE ION, ... | | Authors: | Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. | | Deposit date: | 2018-07-01 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.998 Å) | | Cite: | Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DXW
 | | Human N-acylethanolamine-hydrolyzing acid amidase (NAAA) precursor (C126A) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. | | Deposit date: | 2018-07-01 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DRF
 | | Structure of human Retinal Degeneration 3(RD3) Protein | | Descriptor: | Protein RD3 | | Authors: | Yu, Q, Lim, S, Peshenko, I, Cudia, D, Dizhoor, A.M, Ames, J.B. | | Deposit date: | 2018-06-11 | | Release date: | 2019-02-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Retinal degeneration 3 (RD3) protein, a retinal guanylyl cyclase regulator, forms a monomeric and elongated four-helix bundle.
J. Biol. Chem., 294, 2019
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2F6F
 | | The structure of the S295F mutant of human PTP1B | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein phosphatase, ... | | Authors: | Montalibet, J, Skorey, K, McKay, D, Scapin, G, Asante-Appiah, E, Kennedy, B.P. | | Deposit date: | 2005-11-29 | | Release date: | 2005-12-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Residues distant from the active site influence protein-tyrosine phosphatase 1B inhibitor binding.
J.Biol.Chem., 281, 2006
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6DZY
 | | Cryo-EM structure of the ts2-active human serotonin transporter in complex with 15B8 Fab and 8B6 ScFv bound to ibogaine | | Descriptor: | (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ... | | Authors: | Coleman, J.A, Yang, D, Gouaux, E. | | Deposit date: | 2018-07-05 | | Release date: | 2019-04-24 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
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2FE0
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