4WSY
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4WMS
| STRUCTURE OF APO MBP-MCL1 AT 1.9A | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Clifton, M.C, Dranow, D.M. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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4WT6
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8RLN
| Crystal structure of human adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with the partial antagonist LUF5834 at the orthosteric pocket | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-azanyl-4-(4-hydroxyphenyl)-6-(1~{H}-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile, ... | Authors: | Strater, N, Claff, T, Weisse, R.H, Muller, C.E. | Deposit date: | 2024-01-03 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural Insights into Partial Activation of the Prototypic G Protein-Coupled Adenosine A 2A Receptor. Acs Pharmacol Transl Sci, 7, 2024
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3DCT
| FXR with SRC1 and GW4064 | Descriptor: | 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1 | Authors: | Williams, S.P, Madauss, K.P. | Deposit date: | 2008-06-04 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064. Bioorg.Med.Chem.Lett., 18, 2008
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4WMR
| STRUCTURE OF MCL1 BOUND TO BRD inhibitor ligand 1 AT 1.7A | Descriptor: | 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, PYROPHOSPHATE 2-, ... | Authors: | CLIFTON, M.C, EDWARDS, T.E. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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4WMX
| The structure of MBP-MCL1 bound to ligand 6 at 2.0A | Descriptor: | 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Clifton, M.C, Dranow, D.M. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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4WRS
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3DCU
| FXR with SRC1 and GSK8062 | Descriptor: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1 | Authors: | Williams, S.P, Madauss, K.P. | Deposit date: | 2008-06-04 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064. Bioorg.Med.Chem.Lett., 18, 2008
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8SDH
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7CWB
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7CWC
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8E23
| Human DNA polymerase theta in complex with allosteric inhibitor | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3'), DNA (5'-D(*GP*C*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*G)-3'), ... | Authors: | Mader, P, Pau, V.P.T, Sicheri, F. | Deposit date: | 2022-08-13 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta. J.Med.Chem., 65, 2022
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8E24
| Human DNA polymerase theta in complex with allosteric inhibitor | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide, DNA, ... | Authors: | Mader, P, Pau, V.P.T, Sicheri, F. | Deposit date: | 2022-08-13 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta. J.Med.Chem., 65, 2022
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7PB2
| Crystal structure of JDI TCR in complex with HLA-A*11:01 bound to KRAS G12D peptide (VVVGADGVGK) | Descriptor: | Beta-2-microglobulin, KRAS G12D peptide (VVVGADGVGK), MHC class I antigen, ... | Authors: | Coles, C.H, Karuppiah, V, Robinson, R.A. | Deposit date: | 2021-07-30 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen Nat Commun, 13, 2022
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7OW3
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7OW5
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7OW6
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7OW4
| Crystal structure of HLA-A*11:01 in complex with KRAS G12D peptide (VVVGADGVGK) | Descriptor: | Beta-2-microglobulin, KRAS G12D peptide (VVVGADGVGK), MHC class I antigen, ... | Authors: | Coles, C.H, Karuppiah, V, Robinson, R.A. | Deposit date: | 2021-06-16 | Release date: | 2022-07-20 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen Nat Commun, 13, 2022
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7PI4
| FAK Protac GSK215 in complex with FAK and pVHL:ElonginC:ElonginB | Descriptor: | (2S,4R)-4-hydroxy-1-((S)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Chung, C. | Deposit date: | 2021-08-19 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Discovery and Characterisation of Highly Cooperative FAK-Degrading PROTACs. Angew.Chem.Int.Ed.Engl., 60, 2021
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7CYL
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7BBJ
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1IQC
| Crystal structure of Di-Heme Peroxidase from Nitrosomonas europaea | Descriptor: | CALCIUM ION, GLYCEROL, HEME C, ... | Authors: | Shimizu, H. | Deposit date: | 2001-07-20 | Release date: | 2002-01-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Nitrosomonas europaea cytochrome c peroxidase and the structural basis for ligand switching in bacterial di-heme peroxidases Biochemistry, 40, 2001
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1IHV
| SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN OF HIV-1 INTEGRASE, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | HIV-1 INTEGRASE | Authors: | Clore, G.M, Lodi, P.J, Ernst, J.A, Gronenborn, A.M. | Deposit date: | 1995-05-12 | Release date: | 1996-10-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the DNA binding domain of HIV-1 integrase. Biochemistry, 34, 1995
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1IHW
| SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN OF HIV-1 INTEGRASE, NMR, 40 STRUCTURES | Descriptor: | HIV-1 INTEGRASE | Authors: | Clore, G.M, Lodi, P.J, Ernst, J.A, Gronenborn, A.M. | Deposit date: | 1995-05-12 | Release date: | 1996-07-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the DNA binding domain of HIV-1 integrase. Biochemistry, 34, 1995
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