4QO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qo4 by Molmil](/molmil-images/mine/4qo4) | |
4DOC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4doc by Molmil](/molmil-images/mine/4doc) | Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochlororomethylene triphosphate:binding of S-isomer | Descriptor: | 5'-O-[(R)-{[(S)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine, C C G A C C G C G C A T C A G C, CHLORIDE ION, ... | Authors: | Batra, V.K. | Deposit date: | 2012-02-09 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases J.Am.Chem.Soc., 134, 2012
|
|
4DOB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dob by Molmil](/molmil-images/mine/4dob) | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochlororomethylene triphosphate: Stereoselective binding of R-isomer | Descriptor: | 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine, C C G A C C G C G C A T C A G C, CHLORIDE ION, ... | Authors: | Batra, V.K. | Deposit date: | 2012-02-09 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Beta,Gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases J.Am.Chem.Soc., 134, 2012
|
|
4DOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4doa by Molmil](/molmil-images/mine/4doa) | Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monofluoromethylene triphosphate: non-interactive binding of s-isomer | Descriptor: | 2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, C C G A C C G C G C A T C A G C, CHLORIDE ION, ... | Authors: | Batra, V.K. | Deposit date: | 2012-02-09 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases J.Am.Chem.Soc., 134, 2012
|
|
4DO9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4do9 by Molmil](/molmil-images/mine/4do9) | Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monofluoromethylene triphosphate: stereoselective binding of r-isomer | Descriptor: | 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, C C G A C C G C G C A T C A G C, CHLORIDE ION, ... | Authors: | Batra, V.K. | Deposit date: | 2012-02-09 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases J.Am.Chem.Soc., 134, 2012
|
|
4OAS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4oas by Molmil](/molmil-images/mine/4oas) | co-crystal structure of MDM2 (17-111) in complex with compound 25 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid | Authors: | Huang, X. | Deposit date: | 2014-01-06 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of AMG 232, a Potent, Selective, and Orally Bioavailable MDM2-p53 Inhibitor in Clinical Development. J.Med.Chem., 57, 2014
|
|
3DD1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dd1 by Molmil](/molmil-images/mine/3dd1) | Crystal structure of glycogen phophorylase complexed with an anthranilimide based inhibitor GSK254 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine, ... | Authors: | Nolte, R.T. | Deposit date: | 2008-06-04 | Release date: | 2009-04-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy. Bioorg.Med.Chem.Lett., 19, 2009
|
|
3DDS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dds by Molmil](/molmil-images/mine/3dds) | |
4ODE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ode by Molmil](/molmil-images/mine/4ode) | Co-Crystal Structure of MDM2 with Inhibitor Compound 4 | Descriptor: | (2-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | Deposit date: | 2014-01-10 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
|
|
5VLR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vlr by Molmil](/molmil-images/mine/5vlr) | CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR | Descriptor: | 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Sack, J.S. | Deposit date: | 2017-04-26 | Release date: | 2017-06-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders. J. Med. Chem., 60, 2017
|
|
4OGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ogv by Molmil](/molmil-images/mine/4ogv) | Co-Crystal Structure of MDM2 with Inhibitor Compound 49 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, [(2S,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | Deposit date: | 2014-01-16 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
|
|
4OGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ogn by Molmil](/molmil-images/mine/4ogn) | Co-Crystal Structure of MDM2 with Inhbitor Compound 3 | Descriptor: | 6-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | Deposit date: | 2014-01-16 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.377 Å) | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
|
|
4OGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ogt by Molmil](/molmil-images/mine/4ogt) | Co-Crystal Structure of MDM2 with Inhbitor Compound 46 | Descriptor: | 6-{[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | Deposit date: | 2014-01-16 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5361 Å) | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
|
|
4OBA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4oba by Molmil](/molmil-images/mine/4oba) | Co-crystal structure of MDM2 with Inhibitor Compound 4 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | Deposit date: | 2014-01-07 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Selective and Potent Morpholinone Inhibitors of the MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 57, 2014
|
|
4OCC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4occ by Molmil](/molmil-images/mine/4occ) | co-crystal structure of MDM2(17-111) in complex with compound 48 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | Authors: | Huang, X. | Deposit date: | 2014-01-08 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
|
|
4ODF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4odf by Molmil](/molmil-images/mine/4odf) | Co-Crystal Structure of MDM2 with Inhibitor Compound 47 | Descriptor: | 6-{[(2S,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2 | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | Deposit date: | 2014-01-10 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2006 Å) | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
|
|
4LB2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lb2 by Molmil](/molmil-images/mine/4lb2) | X-ray study of human serum albumin complexed with idarubicin | Descriptor: | IDARUBICIN, SERUM ALBUMIN | Authors: | Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C. | Deposit date: | 2013-06-20 | Release date: | 2013-07-24 | Last modified: | 2014-02-19 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural studies of several clinically important oncology drugs in complex with human serum albumin. Biochim.Biophys.Acta, 1830, 2013
|
|
4LB9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lb9 by Molmil](/molmil-images/mine/4lb9) | X-ray study of human serum albumin complexed with etoposide | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, MYRISTIC ACID, SERUM ALBUMIN | Authors: | Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C. | Deposit date: | 2013-06-20 | Release date: | 2013-07-24 | Last modified: | 2014-02-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural studies of several clinically important oncology drugs in complex with human serum albumin. Biochim.Biophys.Acta, 1830, 2013
|
|
4L9K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l9k by Molmil](/molmil-images/mine/4l9k) | X-ray study of human serum albumin complexed with camptothecin | Descriptor: | (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid, SERUM ALBUMIN | Authors: | Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C. | Deposit date: | 2013-06-18 | Release date: | 2013-07-24 | Last modified: | 2013-10-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural studies of several clinically important oncology drugs in complex with human serum albumin. Biochim.Biophys.Acta, 1830, 2013
|
|
4L8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l8u by Molmil](/molmil-images/mine/4l8u) | X-ray study of human serum albumin complexed with 9 amino camptothecin | Descriptor: | (2S)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid, MYRISTIC ACID, Serum albumin | Authors: | Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C. | Deposit date: | 2013-06-17 | Release date: | 2013-07-24 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural studies of several clinically important oncology drugs in complex with human serum albumin. Biochim.Biophys.Acta, 1830, 2013
|
|
4LA0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4la0 by Molmil](/molmil-images/mine/4la0) | X-ray study of human serum albumin complexed with bicalutamide | Descriptor: | R-BICALUTAMIDE, SERUM ALBUMIN | Authors: | Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C. | Deposit date: | 2013-06-18 | Release date: | 2013-07-24 | Last modified: | 2014-02-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural studies of several clinically important oncology drugs in complex with human serum albumin. Biochim.Biophys.Acta, 1830, 2013
|
|
4L9Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l9q by Molmil](/molmil-images/mine/4l9q) | X-ray study of human serum albumin complexed with teniposide | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside, SERUM ALBUMIN | Authors: | Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C. | Deposit date: | 2013-06-18 | Release date: | 2013-07-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural studies of several clinically important oncology drugs in complex with human serum albumin. Biochim.Biophys.Acta, 1830, 2013
|
|
2R4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r4b by Molmil](/molmil-images/mine/2r4b) | ErbB4 kinase domain complexed with a thienopyrimidine inhibitor | Descriptor: | N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine, Receptor tyrosine-protein kinase erbB-4 | Authors: | Shewchuk, L.M, Uehling, D.E. | Deposit date: | 2007-08-31 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 6-Ethynylthieno[3,2-d]- and 6-ethynylthieno[2,3-d]pyrimidin-4-anilines as tunable covalent modifiers of ErbB kinases. Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
1RDH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rdh by Molmil](/molmil-images/mine/1rdh) | |
4ERF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4erf by Molmil](/molmil-images/mine/4erf) | crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553) | Descriptor: | E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid | Authors: | Huang, X. | Deposit date: | 2012-04-20 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of novel inhibitors of the MDM2-p53 interaction. J.Med.Chem., 55, 2012
|
|