2LZG
 
 | | NMR Structure of Mdm2 (6-125) with Pip-1 | | Descriptor: | E3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid | | Authors: | Michelsen, K.B, Jordan, J.B, Lewis, J, Long, A.M, Yang, E, Rew, Y, Zhou, J, Yakowec, P, Schnier, P.D, Huang, X, Poppe, L. | | Deposit date: | 2012-10-02 | | Release date: | 2012-11-07 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Ordering of the N-Terminus of Human MDM2 by Small Molecule Inhibitors.
J.Am.Chem.Soc., 134, 2012
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1BFE
 | | THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 | | Descriptor: | PSD-95 | | Authors: | Doyle, D.A, Lee, A, Lewis, J, Kim, E, Sheng, M, Mackinnon, R. | | Deposit date: | 1998-05-20 | | Release date: | 1998-10-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of a complexed and peptide-free membrane protein-binding domain: molecular basis of peptide recognition by PDZ.
Cell(Cambridge,Mass.), 85, 1996
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1BE9
 | | THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 IN COMPLEX WITH A C-TERMINAL PEPTIDE DERIVED FROM CRIPT. | | Descriptor: | CRIPT, PSD-95 | | Authors: | Doyle, D.A, Lee, A, Lewis, J, Kim, E, Sheng, M, Mackinnon, R. | | Deposit date: | 1998-05-20 | | Release date: | 1998-10-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structures of a complexed and peptide-free membrane protein-binding domain: molecular basis of peptide recognition by PDZ.
Cell(Cambridge,Mass.), 85, 1996
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2MHS
 | | NMR Structure of human Mcl-1 | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Liu, G, Poppe, L, Aoki, K, Yamane, H, Lewis, J, Szyperski, T. | | Deposit date: | 2013-12-04 | | Release date: | 2014-05-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | High-Quality NMR Structure of Human Anti-Apoptotic Protein Domain Mcl-1(171-327) for Cancer Drug Design.
Plos One, 9, 2014
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2VQZ
 | | Structure of the cap-binding domain of influenza virus polymerase subunit PB2 with bound m7GTP | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, POLYMERASE BASIC PROTEIN 2 | | Authors: | Guilligay, D, Tarendeau, F, Resa-Infante, P, Coloma, R, Crepin, T, Sehr, P, Lewis, J, Ruigrok, R.W.H, Ortin, J, Hart, D.J, Cusack, S. | | Deposit date: | 2008-03-21 | | Release date: | 2008-05-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Structural Basis for CAP Binding by Influenza Virus Polymerase Subunit Pb2.
Nat.Struct.Mol.Biol., 15, 2008
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4CB7
 | | Structure of Influenza A H5N1 PB2 cap-binding domain with bound cap analogue (compound 8e) | | Descriptor: | 5-[2-(2-azanyl-7-methyl-6-oxidanylidene-1H-purin-9-ium-9-yl)ethanoyl]-2-oxidanyl-benzoic acid, GLYCEROL, POLYMERASE BASIC SUBUNIT 2 | | Authors: | Pautus, S, Sehr, P, Lewis, J, Fortune, A, Wolkerstorfer, A, Szolar, O, Gulligay, D, Lunardi, T, Decout, J.L, Cusack, S. | | Deposit date: | 2013-10-10 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | New 7-Methyl-Guanosine Derivatives Targeting the Influenza Polymerase Pb2 CAP-Binding Domain
J.Med.Chem., 56, 2013
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4CB5
 | | Structure of Influenza A H5N1 PB2 cap-binding domain with bound cap analogue (compound 8f) | | Descriptor: | 9-N-(3-CARBOXY-4-HYDROXYPHENYL)KETOMETHYL-7-N-METHYLGUANINE, CHLORIDE ION, POLYMERASE BASIC SUBUNIT 2 | | Authors: | Pautus, S, Sehr, P, Lewis, J, Fortune, A, Wolkerstorfer, A, Szolar, O, Gulligay, D, Lunardi, T, Decout, J.L, Cusack, S. | | Deposit date: | 2013-10-10 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | New 7-Methyl-Guanosine Derivatives Targeting the Influenza Polymerase Pb2 CAP-Binding Domain
J.Med.Chem., 56, 2013
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4CB6
 | | Structure of Influenza A H5N1 PB2 cap-binding domain with bound cap analogue (compound 11) | | Descriptor: | 2,9-N,N-DI(4-CARBOXYBUTYL)-7-N-METHYLGUANINE, IODIDE ION, POLYMERASE BASIC SUBUNIT 2 | | Authors: | Pautus, S, Sehr, P, Lewis, J, Fortune, A, Wolkerstorfer, A, Szolar, O, Gulligay, D, Lunardi, T, Decout, J.L, Cusack, S. | | Deposit date: | 2013-10-10 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | New 7-Methyl-Guanosine Derivatives Targeting the Influenza Polymerase Pb2 CAP-Binding Domain
J.Med.Chem., 56, 2013
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4CB4
 | | Structure of Influenza A H5N1 PB2 cap-binding domain with bound m7GTP | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, POLYMERASE BASIC SUBUNIT 2 | | Authors: | Pautus, S, Sehr, P, Lewis, J, Fortune, A, Wolkerstorfer, A, Szolar, O, Gulligay, D, Lunardi, T, Decout, J.L, Cusack, S. | | Deposit date: | 2013-10-10 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | New 7-Methyl-Guanosine Derivatives Targeting the Influenza Polymerase Pb2 CAP-Binding Domain
J.Med.Chem., 56, 2013
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2XAB
 | | Structure of HSP90 with an inhibitor bound | | Descriptor: | 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, m, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, O'Brian, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-03-30 | | Release date: | 2010-08-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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2XJG
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-4-METHOXY-5-PROPAN-2-YL-PHENYL)METHANONE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, B, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-07-06 | | Release date: | 2010-08-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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5T88
 | | Prolyl oligopeptidase from Pyrococcus furiosus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, PROLINE, ... | | Authors: | Ellis-Guardiola, K, Lewis, J, Sukumar, N. | | Deposit date: | 2016-09-06 | | Release date: | 2017-09-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Crystal Structure and Conformational Dynamics of Pyrococcus furiosus Prolyl Oligopeptidase.
Biochemistry, 58, 2019
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4HBM
 | | Ordering of the N Terminus of Human MDM2 by Small Molecule Inhibitors | | Descriptor: | E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid | | Authors: | Huang, X. | | Deposit date: | 2012-09-28 | | Release date: | 2012-10-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ordering of the N-terminus of human MDM2 by small molecule inhibitors.
J.Am.Chem.Soc., 134, 2012
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3DS0
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3DS2
 | | HIV-1 capsid C-terminal domain mutant (Y169A) | | Descriptor: | HIV-1 CAPSID PROTEIN | | Authors: | Vaney, M.-C, Igonet, S, Rey, F.A. | | Deposit date: | 2008-07-11 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
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2XJJ
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE, GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-07-06 | | Release date: | 2010-08-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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2XJX
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, Onalespib | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-07-06 | | Release date: | 2010-08-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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3DS5
 | | HIV-1 capsid C-terminal domain mutant (N183A) | | Descriptor: | HIV-1 CAPSID PROTEIN | | Authors: | Igonet, S, Vaney, M.C, Rey, F.A. | | Deposit date: | 2008-07-11 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
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3DTJ
 | | HIV-1 capsid C-terminal domain mutant (E187A) | | Descriptor: | HIV-1 capsid protein | | Authors: | Igonet, S, Vaney, M.C, Rey, F.A. | | Deposit date: | 2008-07-15 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
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3DPH
 | | HIV-1 capsid C-terminal domain mutant (L211S) | | Descriptor: | HIV-1 CAPSID PROTEIN | | Authors: | Igonet, S, Vaney, M.C, Rey, F.A. | | Deposit date: | 2008-07-08 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
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3DS3
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3DS4
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3DS1
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2G19
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2G1M
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