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7MSF
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BU of 7msf by Molmil
MS2 PROTEIN CAPSID/RNA COMPLEX
Descriptor: 5'-R(*UP*CP*GP*CP*CP*AP*AP*CP*AP*GP*GP*CP*GP*G)-3', MS2 PROTEIN CAPSID
Authors:Rowsell, S, Stonehouse, N.J, Convery, M.A, Adams, C.J, Ellington, A.D, Hirao, I, Peabody, D.S, Stockley, P.G, Phillips, S.E.V.
Deposit date:1998-05-20
Release date:1998-11-11
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of a series of RNA aptamers complexed to the same protein target.
Nat.Struct.Biol., 5, 1998
5MSF
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MS2 PROTEIN CAPSID/RNA COMPLEX
Descriptor: 5'-R(*CP*CP*GP*GP*AP*GP*GP*AP*UP*CP*AP*CP*CP*AP*CP*GP*GP*G)-3', MS2 PROTEIN CAPSID
Authors:Rowsell, S, Stonehouse, N.J, Convery, M.A, Adams, C.J, Ellington, A.D, Hirao, I, Peabody, D.S, Stockley, P.G, Phillips, S.E.V.
Deposit date:1998-05-15
Release date:1998-11-11
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of a series of RNA aptamers complexed to the same protein target.
Nat.Struct.Biol., 5, 1998
1CG2
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CARBOXYPEPTIDASE G2
Descriptor: CARBOXYPEPTIDASE G2, ZINC ION
Authors:Rowsell, S, Pauptit, R.A, Tucker, A.D, Melton, R.G, Blow, D.M, Brick, P.
Deposit date:1996-12-20
Release date:1997-12-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of carboxypeptidase G2, a bacterial enzyme with applications in cancer therapy.
Structure, 5, 1997
1GKC
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BU of 1gkc by Molmil
MMP9-inhibitor complex
Descriptor: 92 KDA TYPE IV COLLAGENASE, CALCIUM ION, N~2~-[(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-N,3-dimethyl-L-valinamide, ...
Authors:Rowsell, S, Pauptit, R.A.
Deposit date:2001-08-10
Release date:2002-05-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Mmp9 in Complex with a Reverse Hydroxamate Inhibitor
J.Mol.Biol., 319, 2002
1GKD
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BU of 1gkd by Molmil
MMP9 active site mutant-inhibitor complex
Descriptor: 2-AMINO-N,3,3-TRIMETHYLBUTANAMIDE, 2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID, 92 KDA TYPE IV COLLAGENASE, ...
Authors:Rowsell, S, Pauptit, R.A.
Deposit date:2001-08-10
Release date:2002-05-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Mmp9 in Complex with a Reverse Hydroxamate Inhibitor
J.Mol.Biol., 319, 2002
1QG6
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CRYSTAL STRUCTURE OF E. COLI ENOYL ACYL CARRIER PROTEIN REDUCTASE IN COMPLEX WITH NAD AND TRICLOSAN
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE), TRICLOSAN
Authors:Rowsell, S, Pauptit, R.A.
Deposit date:1999-04-20
Release date:1999-09-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinetic and structural characteristics of the inhibition of enoyl (acyl carrier protein) reductase by triclosan.
Biochemistry, 38, 1999
1H6E
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MU2 ADAPTIN SUBUNIT (AP50) OF AP2 ADAPTOR (SECOND DOMAIN), COMPLEXED WITH CTLA-4 INTERNALIZATION PEPTIDE TTGVYVKMPPT
Descriptor: CLATHRIN COAT ASSEMBLY PROTEIN AP50, CYTOTOXIC T-LYMPHOCYTE PROTEIN 4
Authors:Rowsell, S, Pauptit, R.A.
Deposit date:2001-06-12
Release date:2001-11-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Study of the Interaction of the Medium Chain Mu2 Subunit of the Clathrin-Associated Adapter Protein Complex 2 with Cytotoxic T-Lymphocyte Antigen 4 and Cd28
Biochem.J., 359, 2001
6MSF
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F6 APTAMER MS2 COAT PROTEIN COMPLEX
Descriptor: PROTEIN (MS2 PROTEIN CAPSID), RNA (5'-R(*CP*AP*GP*UP*CP*AP*CP*UP*GP*G)-3'), RNA (5'-R(*CP*CP*AP*CP*AP*GP*UP*CP*AP*CP*UP*GP*GP*G)-3')
Authors:Convery, M.A, Rowsell, S, Stonehouse, N.J, Ellington, A.D, Hirao, I, Murray, J.B, Peabody, D.S, Phillips, S.E.V, Stockley, P.G.
Deposit date:1998-01-06
Release date:1998-07-08
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of an RNA aptamer-protein complex at 2.8 A resolution.
Nat.Struct.Biol., 5, 1998
1D7O
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BU of 1d7o by Molmil
CRYSTAL STRUCTURE OF BRASSICA NAPUS ENOYL ACYL CARRIER PROTEIN REDUCTASE COMPLEXED WITH NAD AND TRICLOSAN
Descriptor: ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE (NADH) PRECURSOR, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Roujeinikova, A, Levy, C, Rowsell, S, Sedelnikova, S, Baker, P.J, Minshull, C.A, Mistry, A, Colls, J.G, Camble, R, Stuitje, A.R, Slabas, A.R, Rafferty, J.B, Pauptit, R.A, Viner, R, Rice, D.W.
Deposit date:1999-10-19
Release date:1999-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic analysis of triclosan bound to enoyl reductase.
J.Mol.Biol., 294, 1999
1URW
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BU of 1urw by Molmil
CDK2 IN COMPLEX WITH AN IMIDAZO[1,2-b]PYRIDAZINE
Descriptor: 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-, CELL DIVISION PROTEIN KINASE 2
Authors:Byth, K.F, Cooper, N, Culshaw, J.D, Heaton, D.W, Oakes, S.E, Minshull, C.A, Norman, R.A, Pauptit, R.A, Tucker, J.A, Breed, J, Pannifer, A, Rowsell, S, Stanway, J.J, Valentine, A.L, Thomas, A.P.
Deposit date:2003-11-11
Release date:2004-04-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Imidazo[1,2-B]Pyridazines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
1EFC
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BU of 1efc by Molmil
INTACT ELONGATION FACTOR FROM E.COLI
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (ELONGATION FACTOR)
Authors:Song, H, Parsons, M.R, Rowsell, S, Leonard, G, Phillips, S.E.V.
Deposit date:1998-11-24
Release date:1999-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of intact elongation factor EF-Tu from Escherichia coli in GDP conformation at 2.05 A resolution.
J.Mol.Biol., 285, 1999
2YDJ
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BU of 2ydj by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
Descriptor: 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
Deposit date:2011-03-22
Release date:2012-01-25
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2YDK
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Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
Descriptor: 2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
Deposit date:2011-03-22
Release date:2012-04-04
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2YDI
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Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
Descriptor: 5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
Deposit date:2011-03-21
Release date:2012-04-04
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2C6D
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BU of 2c6d by Molmil
Aurora A kinase activated mutant (T287D) in complex with ADPNP
Descriptor: GLYCEROL, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Pauptit, R.A, Pannifer, A.D, Breed, J, McMiken, H.H.J, Rowsell, S, Anderson, M.
Deposit date:2005-11-09
Release date:2006-01-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2C6E
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Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor
Descriptor: N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6
Authors:Pauptit, R.A, Pannifer, A.D, Breed, J, McMiken, H.H.J, Rowsell, S, Anderson, M.
Deposit date:2005-11-09
Release date:2006-01-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
1H9O
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BU of 1h9o by Molmil
PHOSPHATIDYLINOSITOL 3-KINASE, P85-ALPHA SUBUNIT: C-TERMINAL SH2 DOMAIN COMPLEXED WITH A TYR751 PHOSPHOPEPTIDE FROM THE PDGF RECEPTOR, CRYSTAL STRUCTURE AT 1.79 A
Descriptor: BETA-PLATELET-DERIVED GROWTH FACTOR RECEPTOR, PHOSPHATIDYLINOSITOL 3-KINASE
Authors:Pauptit, R.A, Rowsell, S, Breeze, A.L, Murshudov, G.N, Dennis, C.A, Derbyshire, D.J, Weston, S.A.
Deposit date:2001-03-14
Release date:2001-03-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:NMR Trial Models: Experiences with the Colicin Immunity Protein Im7 and the P85Alpha C-Terminal Sh2-Peptide Complex
Acta Crystallogr.,Sect.D, 57, 2001
3PZE
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BU of 3pze by Molmil
JNK1 in complex with inhibitor
Descriptor: 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide, Mitogen-activated protein kinase 8, SULFATE ION
Authors:Xue, Y.
Deposit date:2010-12-14
Release date:2011-12-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide (AZD7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2VWU
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BU of 2vwu by Molmil
ephB4 kinase domain inhibitor complex
Descriptor: EPHRIN TYPE-B RECEPTOR 4, N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
Authors:Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Rowsell, S, Packer, M, McAlister, M.
Deposit date:2008-06-27
Release date:2008-07-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines
Bioorg.Med.Chem.Lett., 18, 2008
1D2E
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BU of 1d2e by Molmil
CRYSTAL STRUCTURE OF MITOCHONDRIAL EF-TU IN COMPLEX WITH GDP
Descriptor: ELONGATION FACTOR TU (EF-TU), GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Andersen, G.R, Thirup, S, Spremulli, L.L, Nyborg, J.
Deposit date:1999-09-23
Release date:1999-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:High resolution crystal structure of bovine mitochondrial EF-Tu in complex with GDP.
J.Mol.Biol., 297, 2000
1D8A
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BU of 1d8a by Molmil
E. COLI ENOYL REDUCTASE/NAD+/TRICLOSAN COMPLEX
Descriptor: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Levy, C.W, Roujeinikova, A, Sedelnikova, S, Baker, P.J, Stuitje, A.R, Slabas, A.R, Rice, D.W, Rafferty, J.B.
Deposit date:1999-10-21
Release date:1999-10-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis of triclosan activity.
Nature, 398, 1999
1LU3
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Separate Fitting of the Anticodon Loop Region of tRNA (nucleotide 26-42) in the Low Resolution Cryo-EM Map of an EF-Tu Ternary Complex (GDP and Kirromycin) Bound to E. coli 70S Ribosome
Descriptor: PHENYLALANINE TRANSFER RNA
Authors:Valle, M, Sengupta, J, Swami, N.K, Grassucci, R.A, Burkhardt, N, Nierhaus, K.H, Agrawal, R.K, Frank, J.
Deposit date:2002-05-21
Release date:2002-06-26
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (16.799999 Å)
Cite:Cryo-EM reveals an active role for aminoacyl-tRNA in the accommodation process.
EMBO J., 21, 2002
1LS2
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BU of 1ls2 by Molmil
Fitting of EF-Tu and tRNA in the Low Resolution Cryo-EM Map of an EF-Tu Ternary Complex (GDP and Kirromycin) Bound to E. coli 70S Ribosome
Descriptor: Elongation Factor Tu, Phenylalanine transfer RNA
Authors:Valle, M, Sengupta, J, Swami, N.K, Grassucci, R.A, Burkhardt, N, Nierhaus, K.H, Agrawal, R.K, Frank, J.
Deposit date:2002-05-16
Release date:2002-06-26
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (16.799999 Å)
Cite:Cryo-EM reveals an active role for aminoacyl-tRNA in the accommodation process.
EMBO J., 21, 2002
2X8D
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Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration
Descriptor: 5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
Deposit date:2010-03-08
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
2X8E
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Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration
Descriptor: 5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
Deposit date:2010-03-09
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010

 

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