1USQ
 
 | | Complex of E. Coli DraE adhesin with Chloramphenicol | | Descriptor: | 1,2-ETHANEDIOL, CHLORAMPHENICOL, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, ... | | Authors: | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | | Deposit date: | 2003-11-27 | | Release date: | 2004-08-31 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol
J.Biol.Chem., 279, 2004
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3TPR
 | | Crystal structure of BACE1 complexed with an inhibitor | | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
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1EGW
 | | CRYSTAL STRUCTURE OF MEF2A CORE BOUND TO DNA | | Descriptor: | DNA (5'-D(*AP*AP*AP*GP*CP*TP*AP*TP*TP*AP*TP*TP*AP*GP*CP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*GP*CP*TP*AP*AP*TP*AP*AP*TP*AP*GP*CP*TP*T)-3'), MADS BOX TRANSCRIPTION ENHANCER FACTOR 2, ... | | Authors: | Santelli, E, Richmond, T.J. | | Deposit date: | 2000-02-17 | | Release date: | 2000-03-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of MEF2A core bound to DNA at 1.5 A resolution.
J.Mol.Biol., 297, 2000
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1EHX
 | | NMR SOLUTION STRUCTURE OF THE LAST UNKNOWN MODULE OF THE CELLULOSOMAL SCAFFOLDIN PROTEIN CIPC OF CLOSTRIDUM CELLULOLYTICUM | | Descriptor: | SCAFFOLDIN PROTEIN | | Authors: | Mosbah, A, Belaich, A, Bornet, O, Belaich, J.P, Henrissat, B, Darbon, H. | | Deposit date: | 2000-02-23 | | Release date: | 2000-11-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the module X2 1 of unknown function of the cellulosomal scaffolding protein CipC of Clostridium cellulolyticum.
J.Mol.Biol., 304, 2000
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4EXS
 | | Crystal structure of NDM-1 bound to L-captopril | | Descriptor: | Beta-lactamase NDM-1, L-CAPTOPRIL, ZINC ION | | Authors: | Strynadka, N.C.J, King, D.T. | | Deposit date: | 2012-04-30 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | New Delhi Metallo-Beta-Lactamase: Structural Insights into Beta-Lactam Recognition and Inhibition
J.Am.Chem.Soc., 134, 2012
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1KNM
 | | Streptomyces lividans Xylan Binding Domain cbm13 in Complex with Lactose | | Descriptor: | ENDO-1,4-BETA-XYLANASE A, GLYCEROL, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Notenboom, V, Boraston, A.B, Williams, S.J, Kilburn, D.G, Rose, D.R. | | Deposit date: | 2001-12-19 | | Release date: | 2002-06-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | High-resolution crystal structures of the lectin-like xylan binding domain from Streptomyces lividans xylanase 10A with bound substrates reveal a novel mode of xylan binding.
Biochemistry, 41, 2002
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3TVO
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3PZ3
 | | Crystal structure of RabGGTase(DELTA LRR; DELTA IG) in Complex with BMS-analogue 14 | | Descriptor: | 4-({(3R)-7-(5-formylfuran-2-yl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... | | Authors: | Guo, Z, Bon, R.S, Stigter, E.A, Waldmann, H, Alexandrov, K, Blankenfeldt, W, Goody, R.S. | | Deposit date: | 2010-12-14 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Guided Development of Selective RabGGTase Inhibitors.
Angew.Chem.Int.Ed.Engl., 50, 2011
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3H6C
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1TN6
 | | Protein Farnesyltransferase Complexed with a Rap2a Peptide Substrate and a FPP Analog at 1.8A Resolution | | Descriptor: | ACETIC ACID, Protein farnesyltransferase alpha subunit, Protein farnesyltransferase beta subunit, ... | | Authors: | Reid, T.S, Terry, K.L, Casey, P.J, Beese, L.S. | | Deposit date: | 2004-06-11 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic analysis of CaaX prenyltransferases complexed with substrates defines rules of protein substrate selectivity
J.Mol.Biol., 343, 2004
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3Q26
 | | Cyrstal structure of human alpha-synuclein (10-42) fused to maltose binding protein (MBP) | | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein/alpha-synuclein chimeric protein, SULFATE ION, ... | | Authors: | Zhao, M, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2010-12-19 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structures of segments of alpha-synuclein fused to maltose-binding protein suggest intermediate states during amyloid formation
Protein Sci., 20, 2011
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3H9F
 | | Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand | | Descriptor: | 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one, Dual specificity protein kinase TTK, MAGNESIUM ION | | Authors: | Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Yue, W, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Kwiatkowski, N, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-04-30 | | Release date: | 2009-05-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
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2KOT
 | | Solution structure of S100A13 with a drug amlexanox | | Descriptor: | 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid, Protein S100-A13 | | Authors: | Rani, S.G, Mohan, S.K, Yu, C. | | Deposit date: | 2009-09-30 | | Release date: | 2010-03-09 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Molecular level interactions of S100A13 with amlexanox: inhibitor for the formation of multi-protein complex in non-classical pathway of the acidic fibroblast growth factor
Biochemistry, 2010
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1BFA
 | | RECOMBINANT BIFUNCTIONAL HAGEMAN FACTOR/AMYLASE INHIBITOR FROM MAIZE | | Descriptor: | BIFUNCTIONAL AMYLASE/SERINE PROTEASE INHIBITOR | | Authors: | Behnke, C.A, Yee, V.C, Le Trong, I, Pedersen, L.C, Stenkamp, R.E, Kim, S.S, Reeck, G.R, Teller, D.C. | | Deposit date: | 1998-05-13 | | Release date: | 1998-08-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural determinants of the bifunctional corn Hageman factor inhibitor: x-ray crystal structure at 1.95 A resolution.
Biochemistry, 37, 1998
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3HHK
 | | HCV NS5b polymerase complex with a substituted benzothiadizine | | Descriptor: | 2-({(3R)-3-[(3S)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide, HCV NS5 polymerase | | Authors: | Concha, N.O, Singh, O. | | Deposit date: | 2009-05-15 | | Release date: | 2009-09-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substituted benzothiadizine inhibitors of Hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
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3TT1
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2P86
 | | The high resolution crystal structure of rhodesain, the major cathepsin L protease from T. brucei rhodesiense, bound to inhibitor K11002 | | Descriptor: | 1,2-ETHANEDIOL, 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE, Cysteine protease | | Authors: | Brinen, L.S, Marion, R. | | Deposit date: | 2007-03-21 | | Release date: | 2008-04-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | THE high resolution structure of rhodesain, the major cathepsin L protease from trypanosoma brucei rhodesiense, illustrates the basis for differences in inhibition profiles from other papain family cysteine proteases
To be Published
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2PBN
 | | Crystal structure of the human tyrosine receptor phosphate gamma | | Descriptor: | Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION | | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Reyes, C, Pelletier, L, Jin, X, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-03-28 | | Release date: | 2007-04-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
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1BJR
 | | COMPLEX FORMED BETWEEN PROTEOLYTICALLY GENERATED LACTOFERRIN FRAGMENT AND PROTEINASE K | | Descriptor: | CALCIUM ION, LACTOFERRIN, PROTEINASE K | | Authors: | Singh, T.P, Sharma, S, Karthikeyan, S, Betzel, C, Bhatia, K.L. | | Deposit date: | 1998-06-27 | | Release date: | 1998-11-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Crystal structure of a complex formed between proteolytically-generated lactoferrin fragment and proteinase K.
Proteins, 33, 1998
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2PBL
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1BRS
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1KSQ
 | | NMR Study of the Third TB Domain from Latent Transforming Growth Factor-beta Binding Protein-1 | | Descriptor: | LATENT TRANSFORMING GROWTH FACTOR BETA BINDING PROTEIN 1 | | Authors: | Lack, J, O'leary, J.M, Knott, V, Yuan, X, Rifkin, D.B, Handford, P.A, Downing, A.K. | | Deposit date: | 2002-01-14 | | Release date: | 2003-08-26 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Third TB Domain from LTBP1 Provides Insight into Assembly
of the Large Latent Complex that Sequesters Latent TGF-beta.
J.Mol.Biol., 334, 2003
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1TTV
 | | NMR Structure of a Complex Between MDM2 and a Small Molecule Inhibitor | | Descriptor: | 1-{[4,5-BIS(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]CARBONYL}PIPERAZINE, Ubiquitin-protein ligase E3 Mdm2 | | Authors: | Fry, D.C, Emerson, S.D, Palme, S, Vu, B.T, Liu, C.M, Podlaski, F. | | Deposit date: | 2004-06-23 | | Release date: | 2005-01-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of a complex between MDM2 and a small molecule inhibitor.
J.Biomol.Nmr, 30, 2004
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3HHM
 | | Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin | | Descriptor: | (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | Authors: | Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D. | | Deposit date: | 2009-05-15 | | Release date: | 2009-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2E1Z
 | | Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with diadenosine tetraphosphate (Ap4A) obtained after co-crystallization with ATP | | Descriptor: | 1,2-ETHANEDIOL, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Propionate Kinase | | Authors: | Simanshu, D.K, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2006-11-04 | | Release date: | 2007-09-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structures of Salmonella typhimurium propionate kinase and its complex with Ap4A: evidence for a novel Ap4A synthetic activity.
Proteins, 70, 2008
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