2NU4
 
 | | Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I | | Descriptor: | Ovomucoid, Streptogrisin B, Proteinase B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2006-11-08 | | Release date: | 2006-11-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I
To be Published
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3MG4
 | | Structure of yeast 20S proteasome with Compound 1 | | Descriptor: | (2S)-2-amino-N-[(1S)-1-({(1S)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)-3-phenylpropyl]-4-phenylbutanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ... | | Authors: | Sintchak, M.D. | | Deposit date: | 2010-04-05 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Characterization of a new series of non-covalent proteasome inhibitors with exquisite potency and selectivity for the 20S beta5-subunit.
Biochem.J., 430, 2010
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3MG8
 | | Structure of yeast 20S open-gate proteasome with Compound 16 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(2,2-dimethylpropyl)-N~2~-[1H-indol-3-yl(oxo)acetyl]-L-asparaginyl-N-(2-methylbenzyl)-3-pyridin-4-yl-L-alaninamide, ... | | Authors: | Sintchak, M.D. | | Deposit date: | 2010-04-05 | | Release date: | 2011-05-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Characterization of a new series of non-covalent proteasome inhibitors with exquisite potency and selectivity for the 20S beta5-subunit.
Biochem.J., 430, 2010
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3MP2
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3M1F
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3M36
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3NKK
 | | Trypsin in complex with fluorine containing fragment | | Descriptor: | 3-fluoro-4-methylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiering, N, Vulpetti, A, Dalvit, C. | | Deposit date: | 2010-06-20 | | Release date: | 2010-11-10 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Combined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments.
Proteins, 78, 2010
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3PEP
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3MVT
 | | Crystal structure of apo mADA at 2.2A resolution | | Descriptor: | Adenosine deaminase, CHLORIDE ION, GLYCEROL | | Authors: | Niu, W, Shu, Q, Chen, Z, Mathews, S, Di Cera, E, Frieden, C. | | Deposit date: | 2010-05-04 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The role of Zn2+ on the structure and stability of murine adenosine deaminase.
J.Phys.Chem.B, 114, 2010
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4DQV
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4F7U
 | | The 6S snRNP assembly intermediate | | Descriptor: | HEXAETHYLENE GLYCOL, Methylosome subunit pICln, Small nuclear ribonucleoprotein E, ... | | Authors: | Grimm, C, Pelz, J.P. | | Deposit date: | 2012-05-16 | | Release date: | 2013-01-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Structural Basis of Assembly Chaperone- Mediated snRNP Formation.
Mol.Cell, 49, 2013
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3Q4D
 | | Crystal structure of dipeptide epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Ala | | Descriptor: | ALANINE, D-ALANINE, MAGNESIUM ION, ... | | Authors: | Lukk, T, Gerlt, J.A, Nair, S.K. | | Deposit date: | 2010-12-23 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2Q8A
 | | Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody | | Descriptor: | 1F9 heavy chain, 1F9 light chain, Apical membrane antigen 1 | | Authors: | Gupta, A, Murphy, V.J, Anders, R.F, Batchelor, A.H. | | Deposit date: | 2007-06-10 | | Release date: | 2007-10-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody.
PLoS Pathog., 3, 2007
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2Q8B
 | | Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody | | Descriptor: | 1F9 heavy chain, 1F9 light chain, Apical membrane antigen 1 | | Authors: | Gupta, A, Murphy, V.J, Anders, R.F, Batchelor, A.H. | | Deposit date: | 2007-06-10 | | Release date: | 2007-10-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Malaria Antigen AMA1 in Complex with a Growth-Inhibitory Antibody
Plos Pathog., 3, 2007
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2NU2
 | | Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I | | Descriptor: | Ovomucoid, Streptogrisin B, Protease B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2006-11-08 | | Release date: | 2006-11-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I
To be Published
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4F49
 | | 2.25A resolution structure of Transmissible Gastroenteritis Virus Protease containing a covalently bound Dipeptidyl Inhibitor | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.-C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | | Deposit date: | 2012-05-10 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
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3Q3X
 | | Crystal structure of the main protease (3C) from human enterovirus B EV93 | | Descriptor: | GLYCEROL, HEVB EV93 3C protease, MAGNESIUM ION | | Authors: | Costenaro, L, Sola, M, Coutard, B, Norder, H, Canard, B, Coll, M. | | Deposit date: | 2010-12-22 | | Release date: | 2011-09-07 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Antiviral Inhibition of the Main Protease, 3C, from Human Enterovirus 93.
J.Virol., 85, 2011
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3Q45
 | | Crystal structure of Dipeptide Epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Val | | Descriptor: | D-ALANINE, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family; possible chloromuconate cycloisomerase, ... | | Authors: | Lukk, T, Gerlt, J.A, Nair, S.K. | | Deposit date: | 2010-12-22 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3Q3Y
 | | Complex structure of HEVB EV93 main protease 3C with Compound 1 (AG7404) | | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, HEVB EV93 3C protease, ... | | Authors: | Costenaro, L, Kaczmarska, Z, Arnan, C, Sola, M, Coutard, B, Norder, H, Canard, B, Coll, M. | | Deposit date: | 2010-12-22 | | Release date: | 2011-09-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Structural Basis for Antiviral Inhibition of the Main Protease, 3C, from Human Enterovirus 93.
J.Virol., 85, 2011
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4FIA
 | | Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound | | Descriptor: | Cholesterol 24-hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Stout, C.D, Pikuleva, I.A, Mast, N. | | Deposit date: | 2012-06-08 | | Release date: | 2013-01-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Binding of a cyano- and fluoro-containing drug bicalutamide to cytochrome P450 46A1: unusual features and spectral response.
J.Biol.Chem., 288, 2013
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3I25
 | | Potent Beta-Secretase 1 hydroxyethylene Inhibitor | | Descriptor: | Beta-secretase 1, N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Authors: | Lindberg, J.D, Borkakoti, N, Nystrom, S. | | Deposit date: | 2009-06-29 | | Release date: | 2010-06-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of potent BACE-1 inhibitors containing a new hydroxyethylene (HE) scaffold: exploration of P1' alkoxy residues and an aminoethylene (AE) central core
Bioorg.Med.Chem., 18, 2010
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4KZW
 | | Structure of the carbohydrate-recognition domain of the C-type lectin mincle | | Descriptor: | C-TYPE LECTIN MINCLE, CALCIUM ION, CITRATE ANION, ... | | Authors: | Feinberg, H, Jegouzo, S.A.F, Rowntree, T.J.W, Guan, Y, Brash, M.A, Taylor, M.E, Weis, W.I, Drickamer, K. | | Deposit date: | 2013-05-30 | | Release date: | 2013-08-28 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism for Recognition of an Unusual Mycobacterial Glycolipid by the Macrophage Receptor Mincle.
J.Biol.Chem., 288, 2013
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3IBF
 | | Crystal structure of unliganded caspase-7 | | Descriptor: | Caspase-7 | | Authors: | Agniswamy, J. | | Deposit date: | 2009-07-15 | | Release date: | 2009-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7.
Apoptosis, 14, 2009
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4M9S
 | | crystal structure of CED-4 bound CED-3 fragment | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ... | | Authors: | Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G. | | Deposit date: | 2013-08-15 | | Release date: | 2013-10-23 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.207 Å) | | Cite: | Mechanistic insights into CED-4-mediated activation of CED-3.
Genes Dev., 27, 2013
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3IND
 | | Bace1 with the aminohydantoin Compound 29 | | Descriptor: | (5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | | Authors: | Olland, A.M, Chopra, R. | | Deposit date: | 2009-08-12 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.246 Å) | | Cite: | Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
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