5WLQ
 
 | | Crystal Structure of Amino Acids 1677-1755 of Human Beta Cardiac Myosin Fused to Gp7 and Eb1 | | Descriptor: | Capsid assembly scaffolding protein,Myosin-7,Microtubule-associated protein RP/EB family member 1, SULFATE ION, trimethylamine oxide | | Authors: | Andreas, M.P, Ajay, G, Gellings, J, Rayment, I. | | Deposit date: | 2017-07-27 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.104 Å) | | Cite: | Design considerations in coiled-coil fusion constructs for the structural determination of a problematic region of the human cardiac myosin rod.
J. Struct. Biol., 200, 2017
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1ZF6
 | | TGG DUPLEX A-DNA | | Descriptor: | 5'-D(*CP*CP*CP*CP*AP*TP*GP*GP*GP*G)-3', CALCIUM ION, SODIUM ION | | Authors: | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | | Deposit date: | 2005-04-19 | | Release date: | 2005-05-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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5WME
 | | Crystal Structure of Amino Acids 1729-1786 of Human Beta Cardiac Myosin Fused to Gp7 as Anti-Parallel Four-Helix Bundle | | Descriptor: | Capsid assembly scaffolding protein,Myosin-7 | | Authors: | Andreas, M.P, Ajay, G, Gellings, J, Rayment, I. | | Deposit date: | 2017-07-28 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design considerations in coiled-coil fusion constructs for the structural determination of a problematic region of the human cardiac myosin rod.
J. Struct. Biol., 200, 2017
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1ZG9
 | | Crystal Structure of 5-{[amino(imino)methyl]amino}-2-(sulfanylmethyl)pentanoic acid Bound to Activated Porcine Pancreatic Carboxypeptidase B | | Descriptor: | 5-{[AMINO(IMINO)METHYL]AMINO}-2-(SULFANYLMETHYL)PENTANOIC ACID, ZINC ION, procarboxypeptidase B | | Authors: | Adler, M, Bryant, J, Buckman, B, Islam, I, Larsen, B, Finster, S, Kent, L, May, K, Mohan, R, Yuan, S, Whitlow, M. | | Deposit date: | 2005-04-20 | | Release date: | 2005-07-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b.
Biochemistry, 44, 2005
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5FDX
 | | Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution. | | Descriptor: | 1,2-ETHANEDIOL, 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Chalk, R, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-16 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
To Be Published
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4RRS
 | | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | | Descriptor: | (4R,4a'R,10a'S)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | | Authors: | Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P. | | Deposit date: | 2014-11-06 | | Release date: | 2014-12-03 | | Last modified: | 2014-12-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
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3N1C
 | | Crystal structure of the phosphofructokinase-2 from Escherichia coli in complex with fructose-6-phosphate | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase isozyme 2 | | Authors: | Pereira, H.M, Cabrera, R, Caniuguir, A, Garratt, R.C, Babul, J. | | Deposit date: | 2010-05-15 | | Release date: | 2010-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Crystal Complex of Phosphofructokinase-2 of Escherichia coli with Fructose-6-phosphate: KINETIC AND STRUCTURAL ANALYSIS OF THE ALLOSTERIC ATP INHIBITION.
J.Biol.Chem., 286, 2011
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4RS7
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1ZCU
 | | apo form of the 162S mutant of glycogenin | | Descriptor: | Glycogenin-1 | | Authors: | Hurley, T.D, Stout, S.L, Miner, E, Zhou, J, Roach, P.J. | | Deposit date: | 2005-04-13 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Requirements for catalysis in mammalian glycogenin.
J.Biol.Chem., 280, 2005
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4ROD
 | | Human TFIIB-related factor 2 (Brf2) and TBP bound to TRNAU1 promoter | | Descriptor: | Non-template strand, TATA-box-binding protein, Template strand, ... | | Authors: | Vannini, A, Gouge, J, Satia, K, Guthertz, N. | | Deposit date: | 2014-10-28 | | Release date: | 2015-12-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Redox Signaling by the RNA Polymerase III TFIIB-Related Factor Brf2.
Cell(Cambridge,Mass.), 163, 2015
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5FRK
 | | SeMet crystal structure of Erwinia amylovora AmyR amylovoran repressor, a member of the YbjN protein family | | Descriptor: | AMYR | | Authors: | Bartho, J.D, Bellini, D, Wuerges, J, Demitri, N, Walsh, M, Benini, S. | | Deposit date: | 2015-12-18 | | Release date: | 2017-02-15 | | Last modified: | 2019-03-06 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | The crystal structure of Erwinia amylovora AmyR, a member of the YbjN protein family, shows similarity to type III secretion chaperones but suggests different cellular functions.
PLoS ONE, 12, 2017
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1ZEA
 | | Structure of the anti-cholera toxin antibody Fab fragment TE33 in complex with a D-peptide | | Descriptor: | CITRIC ACID, monoclonal anti-cholera toxin IGG1 KAPPA antibody, H chain, ... | | Authors: | Scheerer, P, Krauss, N, Wessner, H, Scholz, C, Otte, L, Seifert, M, Kramer, A, Schneider-Mergener, J, Hoehne, W. | | Deposit date: | 2005-04-18 | | Release date: | 2006-04-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure of an anti-cholera toxin antibody Fab in complex with an epitope-derived D-peptide: a case of polyspecific recognition.
J.Mol.Recognit., 20, 2007
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7XFA
 | | Structure of human Galectin-3 CRD in complex with monosaccharide inhibitor | | Descriptor: | (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | | Authors: | Shukla, J, Raman, S, Ghosh, K. | | Deposit date: | 2022-04-01 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Identification of Monosaccharide Derivatives as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3.
J.Med.Chem., 65, 2022
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8JFC
 | | V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 6 (B21591), NADPH and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Saepua, S, Thongpanchang, C, Yuthavong, Y, Kamchonwongpaisan, S, Hoarau, M. | | Deposit date: | 2023-05-17 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy.
Rsc Med Chem, 14, 2023
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8JFB
 | | V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 4 (B21588), NADPH and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Saepua, S, Thongpanchang, C, Yuthavong, Y, Kamchonwongpaisan, S, Hoarau, M. | | Deposit date: | 2023-05-17 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy.
Rsc Med Chem, 14, 2023
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8JFD
 | | V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 8 (B21594), NADPH and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Saepua, S, Thongpanchang, C, Yuthavong, Y, Kamchonwongpaisan, S, Hoarau, M. | | Deposit date: | 2023-05-17 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy.
Rsc Med Chem, 14, 2023
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1ZH7
 | | Structural and Biochemical Basis for Selective Repression of the Orphan Nuclear Receptor LRH-1 by SHP | | Descriptor: | Orphan nuclear receptor NR5A2, nuclear receptor subfamily 0, group B, ... | | Authors: | Li, Y, Choi, M, Suino, K, Kovach, A, Daugherty, J, Kliewer, S.A, Xu, H.E. | | Deposit date: | 2005-04-22 | | Release date: | 2005-08-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and biochemical basis for selective repression of the orphan nuclear receptor liver receptor homolog 1 by small heterodimer partner
Proc.Natl.Acad.Sci.USA, 102, 2005
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4RQX
 | | Crystal structure of human peroxiredoxin 4(THIOREDOXIN PEROXIDASE) with MESNA | | Descriptor: | 1-THIOETHANESULFONIC ACID, Peroxiredoxin-4 | | Authors: | Badger, J, Sridhar, V, Logan, C, Hausheer, F.H, Nienaber, V.L. | | Deposit date: | 2014-11-05 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.256 Å) | | Cite: | Cysteine Specific Targeting of the Functionally Distinct Peroxiredoxin and Glutaredoxin Proteins by the Investigational Disulfide BNP7787.
Molecules, 20, 2015
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5EG0
 | | HOXB13-MEIS1 heterodimer bound to DNA | | Descriptor: | DNA (5'-D(*CP*CP*TP*CP*GP*TP*AP*AP*AP*AP*CP*TP*GP*TP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*AP*CP*AP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*G)-3'), Homeobox protein Hox-B13, ... | | Authors: | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | | Deposit date: | 2015-10-26 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.101 Å) | | Cite: | Molecular basis of recognition of two distinct DNA sequences by a single transcription factor
To Be Published
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4PVP
 | | Crystal structure of malonate-bound human L-asparaginase protein | | Descriptor: | Isoaspartyl peptidase/L-asparaginase, MALONATE ION, SODIUM ION | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-03-18 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structures of apo and product-bound human L-asparaginase: insights into the mechanism of autoproteolysis and substrate hydrolysis.
Biochemistry, 51, 2012
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1BV2
 | | LIPID TRANSFER PROTEIN FROM RICE SEEDS, NMR, 14 STRUCTURES | | Descriptor: | NONSPECIFIC LIPID TRANSFER PROTEIN | | Authors: | Poznanski, J, Sodano, P, Suh, S.W, Lee, J.Y, Ptak, M, Vovelle, F. | | Deposit date: | 1998-09-21 | | Release date: | 1999-05-18 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a lipid transfer protein extracted from rice seeds. Comparison with homologous proteins.
Eur.J.Biochem., 259, 1999
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1BXP
 | | SOLUTION NMR STRUCTURE OF THE COMPLEX OF ALPHA-BUNGAROTOXIN WITH A LIBRARY DERIVED PEPTIDE, 20 STRUCTURES | | Descriptor: | ALPHA-BUNGAROTOXIN, PEPTIDE MET-ARG-TYR-TYR-GLU-SER-SER-LEU-LYS-SER-TYR-PRO-ASP | | Authors: | Scherf, T, Balass, M, Fuchs, S, Katchalski-Katzir, E, Anglister, J. | | Deposit date: | 1998-08-23 | | Release date: | 1999-01-27 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of the complex of alpha-bungarotoxin with a library-derived peptide.
Proc.Natl.Acad.Sci.USA, 94, 1997
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1ZNN
 | | Structure of the synthase subunit of PLP synthase | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, PLP SYNTHASE, SULFATE ION | | Authors: | Zhu, J, Burgner, J.W, Harms, E, Belitsky, B.R, Smith, J.L. | | Deposit date: | 2005-05-11 | | Release date: | 2005-05-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A New Arrangement of (beta/alpha)8 Barrels in the Synthase Subunit of PLP Synthase.
J.Biol.Chem., 280, 2005
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1ZMI
 | | Crystal structure of human alpha_defensin-2 (variant GLY16->D-ALA), P 32 2 1 space group ) | | Descriptor: | GLYCEROL, Neutrophil defensin 2, SULFATE ION | | Authors: | Lubkowski, J, Prahl, A, Lu, W. | | Deposit date: | 2005-05-10 | | Release date: | 2005-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids.
J.Biol.Chem., 280, 2005
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5WJB
 | | Crystal Structure of Amino Acids 1733-1797 of Human Beta Cardiac Myosin Fused to Gp7 | | Descriptor: | Capsid assembly scaffolding protein,Myosin-7 | | Authors: | Andreas, M.P, Ajay, G, Gellings, J, Rayment, I. | | Deposit date: | 2017-07-21 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.905 Å) | | Cite: | Design considerations in coiled-coil fusion constructs for the structural determination of a problematic region of the human cardiac myosin rod.
J. Struct. Biol., 200, 2017
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