2RMO
 
 | | Solution structure of alpha-spectrin_SH3-bergerac from Chicken | | Descriptor: | Spectrin alpha chain, brain | | Authors: | Kutyshenko, V.P, Prokhorov, D.A, Timchenko, M.A, Kudrevatykh, Y.A, Fedyukina, D.V, Gushchina, L.V, Khristoforov, V.S, Filimonov, V.V. | | Deposit date: | 2007-11-07 | | Release date: | 2008-09-30 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Study of the structure and dynamics of a chimeric variant of the SH3 domain (SHA-Bergerac) by NMR spectroscopy
Russ.J.Bioorganic Chem., 34, 2008
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2RNN
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4P1A
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2ROA
 | | Solution structure of calcium bound soybean calmodulin isoform 4 N-terminal domain | | Descriptor: | CALCIUM ION, Calmodulin | | Authors: | Ishida, H, Huang, H, Yamniuk, A.P, Takaya, Y, Vogel, H.J. | | Deposit date: | 2008-03-14 | | Release date: | 2008-04-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The solution structures of two soybean calmodulin isoforms provide a structural basis for their selective target activation properties
J.Biol.Chem., 283, 2008
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5HTE
 | | Recombinant bovine beta-lactoglobulin variant L1A/I2S (sBlgB#2) | | Descriptor: | Beta-lactoglobulin | | Authors: | Loch, J.I, Bonarek, P, Tworzydlo, M, Polit, A, Hawro, B, Lach, A, Ludwin, E, Lewinski, K. | | Deposit date: | 2016-01-26 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Engineered beta-Lactoglobulin Produced in E. coli: Purification, Biophysical and Structural Characterisation.
Mol Biotechnol., 58, 2016
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2ROQ
 | | Solution Structure of the thiolation-thioesterase di-domain of enterobactin synthetase component F | | Descriptor: | Enterobactin synthetase component F | | Authors: | Frueh, D.P, Arthanari, H, Koglin, A, Vosburg, D.A, Bennett, A.E, Walsh, C.T, Wagner, G. | | Deposit date: | 2008-04-05 | | Release date: | 2008-08-12 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Dynamic thiolation-thioesterase structure of a non-ribosomal peptide synthetase
Nature, 454, 2008
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2TPL
 | | TYROSINE PHENOL-LYASE FROM CITROBACTER INTERMEDIUS COMPLEX WITH 3-(4'-HYDROXYPHENYL)PROPIONIC ACID, PYRIDOXAL-5'-PHOSPHATE AND CS+ ION | | Descriptor: | CESIUM ION, HYDROXYPHENYL PROPIONIC ACID, TYROSINE PHENOL-LYASE | | Authors: | Antson, A.A, Demidkina, T.V, Wilson, K.S. | | Deposit date: | 1997-01-23 | | Release date: | 1997-04-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of Citrobacter freundii tyrosine phenol-lyase complexed with 3-(4'-hydroxyphenyl)propionic acid, together with site-directed mutagenesis and kinetic analysis, demonstrates that arginine 381 is required for substrate specificity.
Biochemistry, 36, 1997
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5HPD
 | | Solution Structure of TAZ2-p53TAD | | Descriptor: | CREB-binding protein,Cellular tumor antigen p53 fusion protein, ZINC ION | | Authors: | Krois, A.S, Ferreon, J.C, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E. | | Deposit date: | 2016-01-20 | | Release date: | 2016-03-16 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Recognition of the disordered p53 transactivation domain by the transcriptional adapter zinc finger domains of CREB-binding protein.
Proc.Natl.Acad.Sci.USA, 113, 2016
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2RQO
 | | Solution structure of Polytheonamide B | | Descriptor: | polytheonamide B | | Authors: | Hamada, N, Matsunaga, S, Fujiwara, M, Fujjita, K, Hirota, H, Schmucki, R, Guntert, P, Fusetani, N. | | Deposit date: | 2009-09-03 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Polytheonamide B, a Highly Cytotoxic Nonribosomal Polypeptide from Marine Sponge
J.Am.Chem.Soc., 2010
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5HTZ
 | | BACE1 in complex with (S)-5-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-2,5-dimethyl-1,2,4-thiadiazinan-3-iminium 1,1-dioxide | | Descriptor: | (3E,5S)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide, Beta-secretase 1 | | Authors: | Orth, P. | | Deposit date: | 2016-01-27 | | Release date: | 2016-11-09 | | Last modified: | 2017-01-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
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2RQR
 | | The solution structure of human DOCK2 SH3 domain - ELMO1 peptide chimera complex | | Descriptor: | Engulfment and cell motility protein 1,Dedicator of cytokinesis protein 2 | | Authors: | Yokoyama, S, Tochio, N, Koshiba, S, Kigawa, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2009-10-21 | | Release date: | 2010-10-27 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural basis for mutual relief of the Rac guanine nucleotide exchange factor DOCK2 and its partner ELMO1 from their autoinhibited forms.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3LJI
 | | CRYSTAL STRUCTURE OF putative geranyltranstransferase from Pseudomonas fluorescens Pf-5 | | Descriptor: | Geranyltranstransferase | | Authors: | Malashkevich, V.N, Toro, R, Patskovsky, Y, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-01-26 | | Release date: | 2010-02-09 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | CRYSTAL STRUCTURE OF putative geranyltranstransferase from Pseudomonas fluorescens Pf-5
To be Published
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5HUH
 | | Crystal Structure of NadE from Streptococcus pyogenes | | Descriptor: | MAGNESIUM ION, NH(3)-dependent NAD(+) synthetase, SULFATE ION | | Authors: | Booth, W.T, Chruszcz, M. | | Deposit date: | 2016-01-27 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Streptococcus pyogenes quinolinate-salvage pathway-structural and functional studies of quinolinate phosphoribosyl transferase and NH3 -dependent NAD(+) synthetase.
FEBS J., 284, 2017
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4UFF
 | | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl- propanamide | | Descriptor: | (2R)-2-(benzylsulfonylamino)-N-(2-((4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl-propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2015-03-16 | | Release date: | 2016-01-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
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2RS8
 | | Solution structure of the N-terminal RNA recognition motif of NonO | | Descriptor: | Non-POU domain-containing octamer-binding protein | | Authors: | Nagata, T, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2011-11-29 | | Release date: | 2012-12-19 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the N-terminal RNA recognition motif of NonO
To be Published
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2RRI
 | | NMR structure of vasoactive intestinal peptide in DPC Micelle | | Descriptor: | Vasoactive intestinal peptide | | Authors: | Umetsu, Y, Tenno, T, Goda, N, Shirakawa, M, Ikegami, T, Hiroaki, H. | | Deposit date: | 2010-12-21 | | Release date: | 2011-04-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural difference of vasoactive intestinal peptide in two distinct membrane-mimicking environments
Biochim.Biophys.Acta, 1814, 2011
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5HWG
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2R5X
 | | Crystal structure of uncharacterized conserved protein YugN from Geobacillus kaustophilus HTA426 | | Descriptor: | Uncharacterized conserved protein | | Authors: | Ramagopal, U.A, Patskovsky, Y, Shi, W, Toro, R, Meyer, A.J, Freeman, J, Wu, B, Koss, J, Groshong, C, Rodgers, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-09-04 | | Release date: | 2007-09-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Crystal structure of uncharacterized protein YugN from Geobacillus kaustophilus HTA426.
To be Published
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5HT4
 | | 6-substituted pyrrolo[2,3-d]pyrimidine 6-thieno-(4-methoxyphenyl) | | Descriptor: | 7-ethyl-6-[(3-methoxyphenyl)sulfanyl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cody, V. | | Deposit date: | 2016-01-26 | | Release date: | 2017-02-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Human dihydrofolate reductase ternary complex with a series of fluorine substituted 5-methyl-6-(4'-methoxyphenythio)[2,3-d]pyrrolo-7-ethyl-2,4-diamines
To Be Published
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2RST
 | | NMR structure of the C-terminal domain of EW29 | | Descriptor: | 29-kDa galactose-binding lectin | | Authors: | Hemmi, H. | | Deposit date: | 2012-05-29 | | Release date: | 2013-04-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structure and dynamics of the C-terminal domain of R-type lectin from the earthworm Lumbricus terrestris
Febs J., 280, 2013
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2RTV
 | | Tachyplesin I in water | | Descriptor: | Tachyplesin-1 | | Authors: | Kushibiki, T, Kamiya, M, Aizawa, T, Kumaki, Y, Kikukawa, T, Mizuguchi, M, Demura, M, Kawabata, S.I, Kawano, K. | | Deposit date: | 2013-09-19 | | Release date: | 2014-02-19 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Interaction between tachyplesin I, an antimicrobial peptide derived from horseshoe crab, and lipopolysaccharide.
Biochim.Biophys.Acta, 1844, 2014
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5HWS
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2R64
 | | Crystal structure of a 3-aminoindazole compound with CDK2 | | Descriptor: | Cell division protein kinase 2, N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE | | Authors: | Lee, J, Choi, H, Kim, K.H, Jeong, S, Park, J.W, Baek, C.S, Lee, S.H. | | Deposit date: | 2007-09-05 | | Release date: | 2008-09-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and biological evaluation of 3,5-diaminoindazoles as cyclin-dependent kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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6CEG
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3L5C
 | | Structure of BACE Bound to SCH723871 | | Descriptor: | 1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID | | Authors: | Strickland, C, Zhu, Z. | | Deposit date: | 2009-12-21 | | Release date: | 2010-02-16 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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