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2LZG
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BU of 2lzg by Molmil
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
1BFE
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BU of 1bfe by Molmil
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
1BE9
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BU of 1be9 by Molmil
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
2MHS
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BU of 2mhs by Molmil
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
2VQZ
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BU of 2vqz by Molmil
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
4CB7
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BU of 4cb7 by Molmil
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
4CB5
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BU of 4cb5 by Molmil
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
4CB6
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BU of 4cb6 by Molmil
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
4CB4
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BU of 4cb4 by Molmil
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
2XAB
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BU of 2xab by Molmil
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
2XJG
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BU of 2xjg by Molmil
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
5T88
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BU of 5t88 by Molmil
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
4HBM
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BU of 4hbm by Molmil
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
3DS0
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BU of 3ds0 by Molmil
HIV-1 capsid C-terminal domain mutant (N183A) in complex with an inhibitor of particle assembly (CAI)
Descriptor: HIV-1 CAPSID PROTEIN, Peptide inhibitor of capsid assembly
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 (1.6 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
3DS2
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BU of 3ds2 by Molmil
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
2XJJ
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BU of 2xjj by Molmil
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
2XJX
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BU of 2xjx by Molmil
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
3DS5
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BU of 3ds5 by Molmil
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
3DTJ
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BU of 3dtj by Molmil
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
3DPH
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BU of 3dph by Molmil
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
3DS3
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BU of 3ds3 by Molmil
HIV-1 capsid C-terminal domain mutant (Y169A) in complex with an inhibitor of particle assembly (CAI)
Descriptor: HIV-1 CAPSID PROTEIN, Peptide inhibitor of capsid assembly
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 (2.7 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
3DS4
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BU of 3ds4 by Molmil
HIV-1 capsid C-terminal domain mutant (L211S) in complex with an inhibitor of particle assembly (CAI)
Descriptor: HIV-1 CAPSID PROTEIN, Peptide inhibitor of capsid assembly
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 (1.12 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
3DS1
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BU of 3ds1 by Molmil
HIV-1 capsid C-terminal domain mutant (E187A) in complex with an inhibitor of particle assembly (CAI)
Descriptor: HIV-1 CAPSID PROTEIN, Peptide Inhibitor of capsid assembly
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 (1.6 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
2G19
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BU of 2g19 by Molmil
Cellular Oxygen Sensing: Crystal Structure of Hypoxia-Inducible Factor Prolyl Hydroxylase (PHD2)
Descriptor: Egl nine homolog 1, FE (II) ION, N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Authors:Syed, R.S, Li, V.
Deposit date:2006-02-14
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cellular oxygen sensing: Crystal structure of hypoxia-inducible factor prolyl hydroxylase (PHD2).
Proc.Natl.Acad.Sci.Usa, 103, 2006
2G1M
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BU of 2g1m by Molmil
Cellular Oxygen Sensing: Crystal Structure of Hypoxia-Inducible Factor Prolyl Hydroxylase (PHD2)
Descriptor: Egl nine homolog 1, FE (II) ION, N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Authors:Mcdonough, M.A, Schofield, C.J.
Deposit date:2006-02-14
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cellular oxygen sensing: Crystal structure of hypoxia-inducible factor prolyl hydroxylase (PHD2).
Proc.Natl.Acad.Sci.Usa, 103, 2006

 

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