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PDB: 64 results

3PS6
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BU of 3ps6 by Molmil
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Descriptor: 4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Greasley, S.E, Rogers, C.M.-L.
Deposit date:2010-11-30
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3PRZ
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BU of 3prz by Molmil
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Descriptor: 4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Greasley, S.E, Rodgers, C.M.-L.
Deposit date:2010-11-30
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3IKG
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BU of 3ikg by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
Descriptor: (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Parge, H, Ferre, R.A, Greasley, S, Matthews, D.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
3GAR
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BU of 3gar by Molmil
A PH-DEPENDENT STABLIZATION OF AN ACTIVE SITE LOOP OBSERVED FROM LOW AND HIGH PH CRYSTAL STRUCTURES OF MUTANT MONOMERIC GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, PHOSPHATE ION
Authors:Su, Y, Yamashita, M.M, Greasley, S.E, Mullen, C.A, Shim, J.H, Jennings, P.A, Benkovic, S.J, Wilson, I.A.
Deposit date:1998-05-13
Release date:1998-08-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A pH-dependent stabilization of an active site loop observed from low and high pH crystal structures of mutant monomeric glycinamide ribonucleotide transformylase at 1.8 to 1.9 A.
J.Mol.Biol., 281, 1998
3IKD
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BU of 3ikd by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
Descriptor: (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Matthews, D, Greasley, S, Ferre, R, Parge, H.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
3IK8
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BU of 3ik8 by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Matthews, D, Greasley, S, Ferre, R.A, Parge, H.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
1P4R
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BU of 1p4r by Molmil
Crystal Structure of Human ATIC in complex with folate-based inhibitor BW1540U88UD
Descriptor: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-L-GLUTAMIC ACID, ...
Authors:Cheong, C.-G, Greasley, S.E, Horton, P.A, Beardsley, G.P, Wilson, I.A.
Deposit date:2003-04-23
Release date:2004-03-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structures of human bifunctional enzyme aminoimidazole-4-carboxamide ribonucleotide transformylase/IMP cyclohydrolase in complex with potent sulfonyl-containing antifolates
J.Biol.Chem., 279, 2004
1PL0
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BU of 1pl0 by Molmil
Crystal structure of human ATIC in complex with folate-based inhibitor, BW2315U89UC
Descriptor: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID, ...
Authors:Cheong, C.G, Greasley, S.E, Horton, P.A, Beardsley, G.P, Wilson, I.A.
Deposit date:2003-06-06
Release date:2004-04-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of Human Bifunctional Enzyme Aminoimidazole-4-carboxamide Ribonucleotide Transformylase/IMP Cyclohydrolase in Complex with Potent Sulfonyl-containing Antifolates.
J.Biol.Chem., 279, 2004
1OZ0
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BU of 1oz0 by Molmil
CRYSTAL STRUCTURE OF THE HOMODIMERIC BIFUNCTIONAL TRANSFORMYLASE AND CYCLOHYDROLASE ENZYME AVIAN ATIC IN COMPLEX WITH A MULTISUBSTRATE ADDUCT INHIBITOR BETA-DADF.
Descriptor: 2-[4-((2-AMINO-4-OXO-3,4-DIHYDRO-PYRIDO[3,2-D]PYRIMIDIN-6-YLMETHYL)-{3-[5-CARBAMOYL-3-(3,4- DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-3H-IMIDAZOL-4-YL]-ACRYLOYL}-AMINO)-BENZOYLAMINO]- PENTANEDIOIC ACID, Bifunctional purine biosynthesis protein PURH, PHOSPHATE ION, ...
Authors:Wolan, D.W, Greasley, S.E, Wall, M.J, Benkovic, S.J, Wilson, I.A.
Deposit date:2003-04-07
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Avian AICAR Transformylase with a Multisubstrate Adduct Inhibitor beta-DADF Identifies the Folate Binding Site.
Biochemistry, 42, 2003
1MEO
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human glycinamide ribonucleotide Transformylase at pH 4.2
Descriptor: PHOSPHATE ION, Phosphoribosylglycinamide formyltransferase, SULFATE ION
Authors:Zhang, Y, Desharnais, J, Greasley, S.E, Beardsley, G.P, Boger, D.L, Wilson, I.A.
Deposit date:2002-08-08
Release date:2002-12-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structures of human GAR Tfase of low and high pH and with substrate beta-GAR
Biochemistry, 41, 2002
1MEN
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BU of 1men by Molmil
complex structure of human GAR Tfase and substrate beta-GAR
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE, Phosphoribosylglycinamide formyltransferase
Authors:Zhang, Y, Desharnais, J, Greasley, S.E, Beardsley, G.P, Boger, D.L, Wilson, I.A.
Deposit date:2002-08-08
Release date:2002-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structures of human GAR Tfase of low and high pH and with substrate beta-GAR
Biochemistry, 41, 2002
1MEJ
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BU of 1mej by Molmil
Human Glycinamide Ribonucleotide Transformylase domain at pH 8.5
Descriptor: GLYCEROL, PHOSPHATE ION, Phosphoribosylglycinamide formyltransferase
Authors:Zhang, Y, Desharnais, J, Greasley, S.E, Beardsley, G.P, Boger, D.L, Wilson, I.A.
Deposit date:2002-08-08
Release date:2002-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of human GAR Tfase of low and high pH and with substrate beta-GAR
Biochemistry, 41, 2002
1PKX
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BU of 1pkx by Molmil
Crystal Structure of human ATIC in complex with XMP
Descriptor: Bifunctional purine biosynthesis protein PURH, POTASSIUM ION, XANTHOSINE-5'-MONOPHOSPHATE
Authors:Wolan, D.W, Cheong, C.G, Greasley, S.E, Wilson, I.A.
Deposit date:2003-06-06
Release date:2004-02-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into the Human and Avian IMP Cyclohydrolase Mechanism via Crystal Structures with the Bound XMP Inhibitor.
Biochemistry, 43, 2004
1D5T
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BU of 1d5t by Molmil
GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, ALPHA-ISOFORM
Descriptor: GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, SULFATE ION
Authors:Peng, L, Zeng, K, Heine, A, Moyer, B, Greasley, S.E, Kuhn, P, Balch, W.E, Wilson, I.A.
Deposit date:1999-10-11
Release date:2000-10-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:A new functional domain of guanine nucleotide dissociation inhibitor (alpha-GDI) involved in Rab recycling.
Traffic, 1, 2000
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