1F4R
| CRYSTAL STRUCTURE OF THE HUMAN AAG DNA REPAIR GLYCOSYLASE COMPLEXED WITH 1,N6-ETHENOADENINE-DNA | Descriptor: | 3-METHYL-ADENINE DNA GLYCOSYLASE, DNA (5'-D(*GP*AP*CP*AP*TP*GP*(EDA)P*TP*TP*GP*CP*CP*T)-3'), DNA (5'-D(*GP*GP*CP*AP*AP*TP*CP*AP*TP*GP*TP*CP*A)-3'), ... | Authors: | Lau, A.Y, Wyatt, M.D, Glassner, B.J, Samson, L.D, Ellenberger, T. | Deposit date: | 2000-06-08 | Release date: | 2000-12-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for discriminating between normal and damaged bases by the human alkyladenine glycosylase, AAG. Proc.Natl.Acad.Sci.USA, 97, 2000
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1EV6
| Structure of the monoclinic form of the M-cresol/insulin R6 hexamer | Descriptor: | CHLORIDE ION, INSULIN, M-CRESOL, ... | Authors: | Smith, G.D, Ciszak, E, Magrum, L.A, Pangborn, W.A, Blessing, R.H. | Deposit date: | 2000-04-19 | Release date: | 2000-12-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | R6 Hexameric Insulin Complexed with m-Cresol or Resorcinol Biochem.Biophys.Res.Commun., 56, 2000
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1HZB
| BACILLUS CALDOLYTICUS COLD-SHOCK PROTEIN MUTANTS TO STUDY DETERMINANTS OF PROTEIN STABILITY | Descriptor: | COLD SHOCK PROTEIN CSPB, SODIUM ION | Authors: | Delbrueck, H, Mueller, U, Perl, D, Schmid, F.X, Heinemann, U. | Deposit date: | 2001-01-24 | Release date: | 2001-11-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Crystal structures of mutant forms of the Bacillus caldolyticus cold shock protein differing in thermal stability. J.Mol.Biol., 313, 2001
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1HZC
| BACILLUS CALDOLYTICUS COLD-SHOCK PROTEIN MUTANTS TO STUDY DETERMINANTS OF PROTEIN STABILITY | Descriptor: | COLD SHOCK PROTEIN CSPB, SODIUM ION | Authors: | Delbrueck, H, Mueller, U, Perl, D, Schmid, F.X, Heinemann, U. | Deposit date: | 2001-01-24 | Release date: | 2001-11-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Crystal structures of mutant forms of the Bacillus caldolyticus cold shock protein differing in thermal stability. J.Mol.Biol., 313, 2001
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1IEE
| STRUCTURE OF TETRAGONAL HEN EGG WHITE LYSOZYME AT 0.94 A FROM CRYSTALS GROWN BY THE COUNTER-DIFFUSION METHOD | Descriptor: | CHLORIDE ION, LYSOZYME C, SODIUM ION | Authors: | Sauter, C, Otalora, F, Gavira, J.-A, Vidal, O, Giege, R, Garcia-Ruiz, J.-M. | Deposit date: | 2001-04-09 | Release date: | 2001-08-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Structure of tetragonal hen egg-white lysozyme at 0.94 A from crystals grown by the counter-diffusion method. Acta Crystallogr.,Sect.D, 57, 2001
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1IP1
| G37A HUMAN LYSOZYME | Descriptor: | LYSOZYME C, SODIUM ION | Authors: | Takano, K, Yamagata, Y, Yutani, K. | Deposit date: | 2001-04-20 | Release date: | 2001-11-14 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of amino acid residues in left-handed helical conformation for the conformational stability of a protein. Proteins, 45, 2001
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1C82
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3QEL
| Crystal structure of amino terminal domains of the NMDA receptor subunit GluN1 and GluN2B in complex with ifenprodil | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol, Glutamate [NMDA] receptor subunit epsilon-2, ... | Authors: | Karakas, E, Simorowski, N, Furukawa, H. | Deposit date: | 2011-01-20 | Release date: | 2011-06-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Subunit arrangement and phenylethanolamine binding in GluN1/GluN2B NMDA receptors. Nature, 475, 2011
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3QG7
| Structural Basis for Ligand Recognition and Discrimination of a Quorum Quenching Antibody | Descriptor: | AP4-24H11 Antibody Heavy Chain, AP4-24H11 Antibody Light Chain, HEXAETHYLENE GLYCOL, ... | Authors: | Kirchdoerfer, R.K, Kaufmann, G.F, Janda, J.D, Wilson, I.A. | Deposit date: | 2011-01-24 | Release date: | 2011-03-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structural Basis for Ligand Recognition and Discrimination of a Quorum-quenching Antibody. J.Biol.Chem., 286, 2011
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3QRI
| The crystal structure of human abl1 kinase domain in complex with DCC-2036 | Descriptor: | 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, SODIUM ION, Tyrosine-protein kinase ABL1 | Authors: | Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L. | Deposit date: | 2011-02-18 | Release date: | 2011-06-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036. Cancer Cell, 19, 2011
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3QB9
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3QTO
| Thrombin Inhibition by Pyridin Derivatives | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-02-23 | Release date: | 2012-02-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
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3QX5
| Thrombin Inhibition by Pyridin Derivatives | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-2-yl)methyl]-L-prolinamide, GLYCEROL, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-03-01 | Release date: | 2012-03-07 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
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3RMM
| Human Thrombin in complex with MI332 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-04-21 | Release date: | 2012-04-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3RM2
| Human Thrombin in complex with MI003 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-04-20 | Release date: | 2012-04-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3RML
| Human Thrombin in complex with MI331 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-04-21 | Release date: | 2012-04-25 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3RLY
| Human Thrombin in complex with MI329 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-04-20 | Release date: | 2012-04-25 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3RMN
| Human Thrombin in complex with MI341 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-04-21 | Release date: | 2012-04-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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1D35
| FACILE FORMATION OF A CROSSLINKED ADDUCT BETWEEN DNA AND THE DAUNORUBICIN DERIVATIVE MAR70 MEDIATED BY FORMALDEHYDE: MOLECULAR STRUCTURE OF THE MAR70-D(CGTNACG) COVALENT ADDUC | Descriptor: | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN, DNA (5'-D(*CP*GP*TP*(A40)P*CP*G)-3'), MAGNESIUM ION | Authors: | Gao, Y.-G, Liaw, Y.-C, Li, Y.-K, Van Der Marel, G.A, Van Boom, J.H, Wang, A.H.-J. | Deposit date: | 1991-04-23 | Release date: | 1992-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Facile formation of a crosslinked adduct between DNA and the daunorubicin derivative MAR70 mediated by formaldehyde: molecular structure of the MAR70-d(CGTnACG) covalent adduct. Proc.Natl.Acad.Sci.USA, 88, 1991
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1D36
| FACILE FORMATION OF A CROSSLINKED ADDUCT BETWEEN DNA AND THE DAUNORUBICIN DERIVATIVE MAR70 MEDIATED BY FORMALDEHYDE: MOLECULAR STRUCTURE OF THE MAR70-D(CGTNACG) COVALENT ADDUC | Descriptor: | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), MAGNESIUM ION | Authors: | Gao, Y.-G, Liaw, Y.-C, Li, Y.-K, Van Der Marel, G.A, Van Boom, J.H, Wang, A.H.-J. | Deposit date: | 1991-04-23 | Release date: | 1992-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Facile formation of a crosslinked adduct between DNA and the daunorubicin derivative MAR70 mediated by formaldehyde: molecular structure of the MAR70-d(CGTnACG) covalent adduct. Proc.Natl.Acad.Sci.USA, 88, 1991
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1CN2
| SOLUTION STRUCTURE OF TOXIN 2 FROM CENTRUROIDES NOXIUS HOFFMANN, A BETA SCORPION NEUROTOXIN ACTING ON SODIUM CHANNELS, NMR, 15 STRUCTURES | Descriptor: | TOXIN 2 | Authors: | Pintar, A, Possani, L.D, Delepierre, M. | Deposit date: | 1998-06-21 | Release date: | 1999-01-13 | Last modified: | 2024-10-16 | Method: | SOLUTION NMR | Cite: | Solution structure of toxin 2 from centruroides noxius Hoffmann, a beta-scorpion neurotoxin acting on sodium channels. J.Mol.Biol., 287, 1999
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3SZT
| Quorum Sensing Control Repressor, QscR, Bound to N-3-oxo-dodecanoyl-L-Homoserine Lactone | Descriptor: | N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, Quorum-sensing control repressor, SODIUM ION | Authors: | Churchill, M.E.A, Lintz, M.J. | Deposit date: | 2011-07-19 | Release date: | 2011-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of QscR, a Pseudomonas aeruginosa quorum sensing signal receptor. Proc.Natl.Acad.Sci.USA, 108, 2011
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3T6U
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3RLW
| Human Thrombin in complex with MI328 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-04-20 | Release date: | 2012-04-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3RWK
| First crystal structure of an endo-inulinase, from Aspergillus ficuum: structural analysis and comparison with other GH32 enzymes. | Descriptor: | ACETATE ION, Inulinase, SODIUM ION, ... | Authors: | Michaux, C, Pouyez, J, Roussel, G, Mayard, A, Vandamme, A.M, Housen, I, Wouters, J. | Deposit date: | 2011-05-09 | Release date: | 2012-07-18 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | First crystal structure of an endo-inulinase, INU2, from Aspergillus ficuum: Discovery of an extra-pocket in the catalytic domain responsible for its endo-activity. Biochimie, 94, 2012
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