2HTY
 
 | | N1 neuraminidase | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2006-07-26 | | Release date: | 2006-09-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
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2L9C
 | | Structural insights into the specificity of darcin, an atypical major urinary protein. | | Descriptor: | Darcin | | Authors: | Phelan, M.M, Mclean, L, Beynon, R.J, Hurst, J.L, Lian, L. | | Deposit date: | 2011-02-07 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-06 | | Method: | SOLUTION NMR | | Cite: | Structural insights into the specificity of darcin, an atypical major urinary protein.
To be Published
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2HU4
 | | N1 neuraminidase in complex with oseltamivir 2 | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2006-07-26 | | Release date: | 2006-09-05 | | Last modified: | 2018-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
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2FCI
 | | Structural basis for the requirement of two phosphotyrosines in signaling mediated by Syk tyrosine kinase | | Descriptor: | C-termainl SH2 domain from phospholipase C-gamma-1 comprising residues 663-759, Doubly phosphorylated peptide derived from Syk kinase comprising residues 338-350 | | Authors: | Groesch, T.D, Zhou, F, Mattila, S, Geahlen, R.L, Post, C.B. | | Deposit date: | 2005-12-12 | | Release date: | 2006-01-31 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the requirement of two phosphotyrosine residues in signaling mediated by syk tyrosine kinase
J.Mol.Biol., 356, 2006
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2FDE
 | | Wild type HIV protease bound with GW0385 | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE, Gag-Pol polyprotein, POTASSIUM ION | | Authors: | Xu, R.X. | | Deposit date: | 2005-12-13 | | Release date: | 2006-02-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: The discovery of GW0385.
Bioorg.Med.Chem.Lett., 16, 2006
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2FDP
 | | Crystal structure of beta-secretase complexed with an amino-ethylene inhibitor | | Descriptor: | Beta-secretase 1, N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | | Authors: | Yang, W, Lu, W, Lu, Y, Zhong, M, Sun, J, Thomas, A.E, Wilkinson, J.M, Fucini, R.V, Lam, M, Randal, M, Shi, X.P, Jacobs, J.W, McDowell, R.S, Gordon, E.M, Ballinger, M.D. | | Deposit date: | 2005-12-14 | | Release date: | 2006-01-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1.
J.Med.Chem., 49, 2006
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4IE9
 | | Bovine PKA C-alpha in complex with 3-pyridylmethyl-5-methyl-1H-pyrazole-3-carboxylate | | Descriptor: | GLYCEROL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... | | Authors: | Dreyer, M.K, Schiffer, A, Lodge, J. | | Deposit date: | 2012-12-13 | | Release date: | 2013-05-01 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring
J.Am.Chem.Soc., 135, 2013
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2FCH
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2LCT
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2LFH
 | | Solution NMR Structure of the Helix-loop-Helix Domain of Human ID3 Protein, Northeast Structural Genomics Consortium Target HR3111A | | Descriptor: | DNA-binding protein inhibitor ID-3 | | Authors: | Eletsky, A, Wang, D, Kohan, E, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-06-30 | | Release date: | 2011-07-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of the Helix-loop-Helix Domain of Human ID3 Protein, Northeast Structural Genomics Consortium Target HR3111A
To be Published
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6Y2U
 | | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with aminofasudil and PKI (5-24) | | Descriptor: | 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G. | | Deposit date: | 2020-02-17 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
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2LKZ
 | | Solution structure of the second RRM domain of RBM5 | | Descriptor: | RNA-binding protein 5 | | Authors: | Song, Z, Wu, P, Zhang, J, Wu, J, Shi, Y. | | Deposit date: | 2011-10-23 | | Release date: | 2012-08-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the second RRM domain of RBM5 and its unusual binding characters for different RNA targets
Biochemistry, 2012
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6Y89
 | | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with Methyl 5-isoquinolinecarboxylate and PKI (5-24) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, METHANOL, ... | | Authors: | Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G. | | Deposit date: | 2020-03-04 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
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2FLW
 | | Crystal structure of Mg2+ and BeF3- ound CheY in complex with CheZ 200-214 solved from a F432 crystal grown in Hepes (pH 7.5) | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, C-terminal 15-mer from Chemotaxis protein cheZ, Chemotaxis protein cheY, ... | | Authors: | Guhaniyogi, J, Robinson, V.L, Stock, A.M. | | Deposit date: | 2006-01-06 | | Release date: | 2006-05-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Beryllium Fluoride-free and Beryllium Fluoride-bound CheY in Complex with the Conserved C-terminal Peptide of CheZ Reveal Dual Binding Modes Specific to CheY Conformation.
J.Mol.Biol., 359, 2006
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2FMI
 | | Crystal structure of CheY in complex with CheZ 200-214 solved from a F432 crystal grown in Tris (pH 8.4) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, C-terminal 15-mer from Chemotaxis protein cheZ, Chemotaxis protein cheY, ... | | Authors: | Guhaniyogi, J, Robinson, V.L, Stock, A.M. | | Deposit date: | 2006-01-09 | | Release date: | 2006-05-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Crystal Structures of Beryllium Fluoride-free and Beryllium Fluoride-bound CheY in Complex with the Conserved C-terminal Peptide of CheZ Reveal Dual Binding Modes Specific to CheY Conformation.
J.Mol.Biol., 359, 2006
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4IIR
 | | Crystal Structure of AMPPNP-bound Human PRPF4B kinase domain | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | | Authors: | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | | Deposit date: | 2012-12-20 | | Release date: | 2013-08-28 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
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2LP0
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2FIV
 | | Crystal structure of feline immunodeficiency virus protease complexed with a substrate | | Descriptor: | ACE-ALN-VAL-STA-GLU-ALN-NH2, FELINE IMMUNODEFICIENCY VIRUS PROTEASE, SULFATE ION | | Authors: | Schalk-Hihi, C, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A. | | Deposit date: | 1997-07-21 | | Release date: | 1997-11-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the inactive D30N mutant of feline immunodeficiency virus protease complexed with a substrate and an inhibitor.
Biochemistry, 36, 1997
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6YF8
 | | DYRK1A with PST001 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide | | Authors: | Rothweiler, U. | | Deposit date: | 2020-03-26 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.198 Å) | | Cite: | DYRK1A with PST001
To Be Published
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2EST
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2FDN
 | | 2[4FE-4S] FERREDOXIN FROM CLOSTRIDIUM ACIDI-URICI | | Descriptor: | FERREDOXIN, IRON/SULFUR CLUSTER | | Authors: | Dauter, Z, Wilson, K.S, Sieker, L.C, Meyer, J, Moulis, J.M. | | Deposit date: | 1997-10-01 | | Release date: | 1998-04-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Atomic resolution (0.94 A) structure of Clostridium acidurici ferredoxin. Detailed geometry of [4Fe-4S] clusters in a protein.
Biochemistry, 36, 1997
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2FAM
 | | X-RAY CRYSTAL STRUCTURE OF FERRIC APLYSIA LIMACINA MYOGLOBIN IN DIFFERENT LIGANDED STATES | | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION | | Authors: | Conti, E, Moser, C, Rizzi, M, Mattevi, A, Lionetti, C, Coda, A, Ascenzi, P, Brunori, M, Bolognesi, M. | | Deposit date: | 1993-07-20 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray crystal structure of ferric Aplysia limacina myoglobin in different liganded states.
J.Mol.Biol., 233, 1993
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2FAL
 | | X-RAY CRYSTAL STRUCTURE OF FERRIC APLYSIA LIMACINA MYOGLOBIN IN DIFFERENT LIGANDED STATES | | Descriptor: | CYANIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Conti, E, Moser, C, Rizzi, M, Mattevi, A, Lionetti, C, Coda, A, Ascenzi, P, Brunori, M, Bolognesi, M. | | Deposit date: | 1993-06-14 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structure of ferric Aplysia limacina myoglobin in different liganded states.
J.Mol.Biol., 233, 1993
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2LIT
 | | NMR Solution Structure of Yeast Iso-1-cytochrome c Mutant P71H in reduced states | | Descriptor: | Cytochrome c iso-1, HEME C | | Authors: | Lan, W, Wang, Z, Yang, Z, Zhu, J, Ying, T, Jiang, X, Zhang, X, Wu, H, Liu, M, Tan, X, Cao, C, Huang, Z.X. | | Deposit date: | 2011-08-31 | | Release date: | 2011-12-07 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Conformational toggling of yeast iso-1-cytochrome C in the oxidized and reduced States.
Plos One, 6, 2011
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2FNS
 | | Crystal structure of wild-type inactive (D25N) HIV-1 protease complexed with wild-type HIV-1 NC-p1 substrate. | | Descriptor: | ACETATE ION, NC-P1 SUBSTRATE PEPTIDE, PHOSPHATE ION, ... | | Authors: | Prabu-Jeyabalan, M, Nalivaika, E.A, Schiffer, C.A. | | Deposit date: | 2006-01-11 | | Release date: | 2006-09-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism of substrate recognition by drug-resistant human immunodeficiency virus type 1 protease variants revealed by a novel structural intermediate.
J.Virol., 80, 2006
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