1UYH
 
 | | Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine | | Descriptor: | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | | Deposit date: | 2004-03-02 | | Release date: | 2004-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
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1LO2
 | | Retro-Diels-Alderase Catalytic Antibody | | Descriptor: | If kappa light chain, Ig gamma 2a heavy chain, [2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE | | Authors: | Hugot, M, Reymond, J.L, Baumann, U. | | Deposit date: | 2002-05-06 | | Release date: | 2002-06-26 | | Last modified: | 2021-07-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A structural basis for the activity of retro-Diels-Alder catalytic antibodies: evidence for a catalytic aromatic residue.
Proc.Natl.Acad.Sci.USA, 99, 2002
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1UWQ
 | | Structure of beta-glycosidase from Sulfolobus solfataricus | | Descriptor: | ACETATE ION, BETA-GALACTOSIDASE | | Authors: | Gloster, T.M, Roberts, S, Ducros, V.M.-A, Perugino, G, Rossi, M, Hoos, R, Moracci, M, Vasella, A, Davies, G.J. | | Deposit date: | 2004-02-11 | | Release date: | 2004-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural studies of the beta-glycosidase from Sulfolobus solfataricus in complex with covalently and noncovalently bound inhibitors.
Biochemistry, 43, 2004
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1LQH
 | | INSECTICIDAL ALPHA SCORPION TOXIN ISOLATED FROM THE VENOM OF SCORPION LEIURUS QUINQUESTRIATUS HEBRAEUS, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | INSECT TOXIN ALPHA | | Authors: | Tugarinov, V, Kustanovich, I, Zilberberg, N, Gurevitz, M, Anglister, J. | | Deposit date: | 1996-06-17 | | Release date: | 1997-03-12 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structures of a highly insecticidal recombinant scorpion alpha-toxin and a mutant with increased activity.
Biochemistry, 36, 1997
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4Q4P
 | | tRNA-Guanine Transglycosylase (TGT) in Complex with 2-{[2-(PIPERIDIN-1-YL)ETHYL]AMINO}-3,5-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | | Descriptor: | 2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Neeb, M, Heine, A, Klebe, G. | | Deposit date: | 2014-04-15 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.539 Å) | | Cite: | Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme.
J.Med.Chem., 57, 2014
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3ZZ1
 | | Crystal structure of a glycoside hydrolase family 3 beta-glucosidase, Bgl1 from Hypocrea jecorina at 2.1A resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCOSIDE GLUCOHYDROLASE, GLYCEROL | | Authors: | Sandgren, M, Kaper, T, Mikkelsen, N.E, Hansson, H, Piens, K, Gudmundsson, M, Larenas, E, Kelemen, B, Karkehabadi, S. | | Deposit date: | 2011-08-31 | | Release date: | 2012-12-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Biochemical Characterization and Crystal Structures of a Fungal Family 3 Beta-Glucosidase, Cel3A from Hypocrea Jecorina.
J.Biol.Chem., 289, 2014
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1UB3
 | | Crystal Structure of Tetrameric Structure of Aldolase from thermus thermophilus HB8 | | Descriptor: | 1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE, Aldolase protein | | Authors: | Lokanath, N.K, Miyano, M, Yokoyama, S, Kuramitsu, S, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-03-28 | | Release date: | 2003-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of aldolase from Thermus thermophilus HB8 showing the contribution of oligomeric state to thermostability.
Acta Crystallogr.,Sect.D, 60, 2004
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1LO4
 | | Retro-Diels-Alderase Catalytic antibody 9D9 | | Descriptor: | If kappa light chain, Ig gamma 2a heavy chain | | Authors: | Hugot, M, Reymond, J.L, Baumann, U. | | Deposit date: | 2002-05-06 | | Release date: | 2002-07-03 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A structural basis for the activity of retro-Diels-Alder catalytic antibodies: evidence for a catalytic aromatic residue.
Proc.Natl.Acad.Sci.USA, 99, 2002
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1UC5
 | | Structure of diol dehydratase complexed with (R)-1,2-propanediol | | Descriptor: | AMMONIUM ION, CYANOCOBALAMIN, POTASSIUM ION, ... | | Authors: | Shibata, N, Nakanishi, Y, Fukuoka, M, Yamanishi, M, Yasuoka, N, Toraya, T. | | Deposit date: | 2003-04-08 | | Release date: | 2003-07-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural rationalization for the lack of stereospecificity in coenzyme B12-dependent diol dehydratase
J.Biol.Chem., 278, 2003
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3ADE
 | | Crystal Structure of Keap1 in Complex with Sequestosome-1/p62 | | Descriptor: | Kelch-like ECH-associated protein 1, SULFATE ION, Sequestosome-1 | | Authors: | Kurokawa, H, Yamamoto, M. | | Deposit date: | 2010-01-19 | | Release date: | 2010-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The selective autophagy substrate p62 activates the stress responsive transcription factor Nrf2 through inactivation of Keap1
Nat.Cell Biol., 12, 2010
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1UCA
 | | Crystal structure of the Ribonuclease MC1 from bitter gourd seeds complexed with 2'-UMP | | Descriptor: | PHOSPHORIC ACID MONO-[2-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER, Ribonuclease MC | | Authors: | Suzuki, A, Yao, M, Tanaka, I, Numata, T, Kikukawa, S, Yamasaki, N, Kimura, M. | | Deposit date: | 2003-04-10 | | Release date: | 2003-04-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal structures of the ribonuclease MC1 from bitter gourd seeds, complexed with 2'-UMP or 3'-UMP, reveal structural basis for uridine specificity
Biochem.Biophys.Res.Commun., 275, 2000
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3C0Z
 | | Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with SAHA | | Descriptor: | Histone deacetylase 7a, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, POTASSIUM ION, ... | | Authors: | Min, J, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-01-21 | | Release date: | 2008-02-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
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3ZD0
 | | The Solution Structure of Monomeric Hepatitis C Virus p7 Yields Potent Inhibitors of Virion Release | | Descriptor: | P7 PROTEIN | | Authors: | Foster, T.L, Sthompson, G, Kalverda, A.P, Kankanala, J, Thompson, J, Barker, A.M, Clarke, D, Noerenberg, M, Pearson, A.R, Rowlands, D.J, Homans, S.W, Harris, M, Foster, R, Griffin, S.D.C. | | Deposit date: | 2012-11-23 | | Release date: | 2013-09-04 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structure-Guided Design Affirms Inhibitors of Hepatitis C Virus P7 as a Viable Class of Antivirals Targeting Virion Release
Hepatology, 59, 2014
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1TRH
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1U3C
 | | Crystal Structure of the PHR domain of Cryptochrome 1 from Arabidopsis thaliana | | Descriptor: | CHLORIDE ION, Cryptochrome 1 apoprotein, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, ... | | Authors: | Brautigam, C.A, Smith, B.S, Ma, Z, Palnitkar, M, Tomchick, D.R, Machius, M, Deisenhofer, J. | | Deposit date: | 2004-07-21 | | Release date: | 2004-08-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the photolyase-like domain of cryptochrome 1 from Arabidopsis thaliana.
Proc.Natl.Acad.Sci.USA, 101, 2004
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4QLQ
 | | yCP in complex with tripeptidic epoxyketone inhibitor 8 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-L-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide, ... | | Authors: | De Bruin, G, Huber, E, Xin, B, Van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, Van der Marel, G, Groll, M, Overkleeft, H. | | Deposit date: | 2014-06-13 | | Release date: | 2014-07-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
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3BUH
 | | BACE-1 complexed with compound 4 | | Descriptor: | 4-(2-aminoethyl)-2-cyclohexylphenol, beta-secretase 1 | | Authors: | Kuglstatter, A, Hennig, M. | | Deposit date: | 2008-01-02 | | Release date: | 2008-03-11 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
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3BUZ
 | | Crystal structure of ia-bTAD-actin complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Tsuge, H, Nagahama, M, Oda, M, Iwamoto, S, Utsunomiya, H, Marquez, V.E, Katunuma, N, Nishizawa, M, Sakurai, J. | | Deposit date: | 2008-01-04 | | Release date: | 2008-05-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Structural basis of actin recognition and arginine ADP-ribosylation by Clostridium perfringens iota-toxin
Proc.Natl.Acad.Sci.Usa, 105, 2008
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1LO0
 | | Catalytic Retro-Diels-Alderase Transition State Analogue Complex | | Descriptor: | 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID, If kappa light chain, Ig gamma 2a heavy chain | | Authors: | Hugot, M, Reymond, J.L, Baumann, U. | | Deposit date: | 2002-05-05 | | Release date: | 2002-06-26 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A structural basis for the activity of retro-Diels-Alder catalytic antibodies: evidence for a catalytic aromatic residue.
Proc.Natl.Acad.Sci.USA, 99, 2002
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2L5J
 | | structure of the spliceosomal phosphopeptide P140 (phosphorylated form) | | Descriptor: | U1 small nuclear ribonucleoprotein 70 kDa | | Authors: | Quinternet, M, Page, N, Schall, N, Strub, J, Chaloin, O, Decossas, M, Cung, M, van Dorsselaer, A, Briand, J, Muller, S. | | Deposit date: | 2010-11-02 | | Release date: | 2010-12-01 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | The spliceosomal phosphopeptide P140 controls the lupus disease by interacting with the HSC70 protein and via a mechanism mediated by gammadelta T cells.
Plos One, 4, 2009
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1TS6
 | | Structure of the pB2 intermediate from time-resolved Laue crystallography | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Ihee, H, Rajagopal, S, Srajer, V, Pahl, R, Anderson, S, Schmidt, M, Schotte, F, Anfinrud, P.A, Wulff, M, Moffat, K. | | Deposit date: | 2004-06-21 | | Release date: | 2005-07-05 | | Last modified: | 2021-07-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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3ZJ6
 | | Crystal of Raucaffricine Glucosidase in complex with inhibitor | | Descriptor: | (1R,2S,3S,4R,5R)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION | | Authors: | Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J. | | Deposit date: | 2013-01-17 | | Release date: | 2014-01-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
J.Enzyme.Inhib.Med.Chem., 30, 2015
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1LQI
 | | INSECTICIDAL ALPHA SCORPION TOXIN ISOLATED FROM THE VENOM OF SCORPION LEIURUS QUINQUESTRIATUS HEBRAEUS, NMR, 29 STRUCTURES | | Descriptor: | INSECT TOXIN ALPHA | | Authors: | Tugarinov, V, Kustanovich, I, Zilberberg, N, Gurevitz, M, Anglister, J. | | Deposit date: | 1996-06-17 | | Release date: | 1997-03-12 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structures of a highly insecticidal recombinant scorpion alpha-toxin and a mutant with increased activity.
Biochemistry, 36, 1997
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1UC9
 | | Crystal structure of a lysine biosynthesis enzyme, Lysx, from thermus thermophilus HB8 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, lysine biosynthesis enzyme | | Authors: | Sakai, H, Vassylyeva, M.N, Matsuura, T, Sekine, S, Nishiyama, M, Terada, T, Shirouzu, M, Kuramitsu, S, Vassylyev, D.G, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-04-09 | | Release date: | 2003-09-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal Structure of a Lysine Biosynthesis Enzyme, LysX, from Thermus thermophilus HB8
J.Mol.Biol., 332, 2003
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2LP2
 | | Solution structure and dynamics of human S100A1 protein modified at cysteine 85 with homocysteine disulfide bond formation in calcium saturated form | | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, CALCIUM ION, Protein S100-A1 | | Authors: | Nowakowski, M.E, Jaremko, L, Jaremko, M, Zdanowski, K, Ejchart, A. | | Deposit date: | 2012-01-31 | | Release date: | 2013-02-20 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | Impact of calcium binding and thionylation of S100A1 protein on its nuclear magnetic resonance-derived structure and backbone dynamics.
Biochemistry, 52, 2013
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