3EEU
 
 | | Structure of the RNA pyrophosphohydrolase BdRppH in complex with Holmium | | Descriptor: | ACETATE ION, CHLORIDE ION, HOLMIUM ATOM, ... | | Authors: | Messing, S.A, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2008-09-05 | | Release date: | 2009-03-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Biological Function of the RNA Pyrophosphohydrolase BdRppH from Bdellovibrio bacteriovorus.
Structure, 17, 2009
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3NPE
 | | Structure of VP14 in complex with oxygen | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 9-cis-epoxycarotenoid dioxygenase 1, chloroplastic, ... | | Authors: | Messing, S.A, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2010-06-28 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural insights into maize viviparous14, a key enzyme in the biosynthesis of the phytohormone abscisic acid.
Plant Cell, 22, 2010
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1N8Y
 | | Crystal structure of the extracellular region of rat HER2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, protooncoprotein | | Authors: | Cho, H.-S, Mason, K, Ramyar, K.X, Stanley, A.M, Gabelli, S.B, Denney Jr, D.W, Leahy, D.J. | | Deposit date: | 2002-11-21 | | Release date: | 2003-02-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the Extracellular Region of HER2 Alone and in complex with the Herceptin Fab
Nature, 421, 2003
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6B09
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1FAR
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3EFJ
 | | Structure of c-Met with pyrimidone inhibitor 7 | | Descriptor: | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | | Authors: | D'Angelo, N, Bellon, S, Whittington, D. | | Deposit date: | 2008-09-09 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
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6UJ8
 | | Crystal structure of HLA-B*07:02 with wild-type IDH2 peptide | | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, HLA class I histocompatibility antigen, ... | | Authors: | Miller, M.S, Thirawatananond, P, Gabelli, S.B. | | Deposit date: | 2019-10-02 | | Release date: | 2021-05-05 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
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6UJ9
 | | Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide in complex with Fab | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Miller, M.S, Thirawatananond, P, Aytenfisu, T.Y, Wright, K, Gabelli, S.B. | | Deposit date: | 2019-10-02 | | Release date: | 2021-05-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
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6UJ7
 | | Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | | Authors: | Miller, M.S, Thirawatananond, P, Gabelli, S.B. | | Deposit date: | 2019-10-02 | | Release date: | 2021-05-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
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1FAQ
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1N8Z
 | | Crystal structure of extracellular domain of human HER2 complexed with Herceptin Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Herceptin Fab (antibody) - heavy chain, Herceptin Fab (antibody) - light chain, ... | | Authors: | Cho, H.-S, Mason, K, Ramyar, K.X, Stanley, A.M, Gabelli, S.B, Denney Jr, D.W, Leahy, D.J. | | Deposit date: | 2002-11-21 | | Release date: | 2003-02-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structure of the Extracellular Region of HER2 Alone and in Complex with the Herceptin Fab
Nature, 421, 2003
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4E1E
 | | Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-hexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2012-03-06 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
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2NPW
 | | Solution Structures of a DNA Dodecamer Duplex with a Cisplatin 1,2-d(GG) Intrastrand Cross-Link | | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', Cisplatin | | Authors: | Wu, Y, Bhattacharyya, D, Chaney, S, Campbell, S. | | Deposit date: | 2006-10-30 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
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2NQ1
 | | Solution Structures of a DNA Dodecamer Duplex | | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3' | | Authors: | Bhattacharyya, D, Wu, Y, Chaney, S, Campbell, S. | | Deposit date: | 2006-10-30 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
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2NQ4
 | | Solution Structures of a DNA Dodecamer Duplex | | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3' | | Authors: | Bhattacharyya, D, Wu, Y, Chaney, S, Campbell, S. | | Deposit date: | 2006-10-30 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
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2NQ0
 | | Solution Structures of a DNA Dodecamer Duplex with a Cisplatin 1,2-d(GG) Intrastrand Cross-Link | | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', Cisplatin | | Authors: | Wu, Y, Bhattacharyya, D, Chaney, S, Campbell, S. | | Deposit date: | 2006-10-30 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
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4DWB
 | | Crystal structure of Trypanosoma cruzi farnesyl diphosphate synthase in complex with [2-(n-pentylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, Farnesyl pyrophosphate synthase, ... | | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2012-02-24 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
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4DWG
 | | Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-heptylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Farnesyl pyrophosphate synthase, ... | | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2012-02-24 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
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2K0T
 | | High Resolution Solution NMR Structures of Oxaliplatin-DNA Adduct | | Descriptor: | CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3') | | Authors: | Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L. | | Deposit date: | 2008-02-14 | | Release date: | 2009-02-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
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2K0U
 | | High Resolution Solution NMR Structures of Oxaliplatin-DNA Adduct | | Descriptor: | CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3') | | Authors: | Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L. | | Deposit date: | 2008-02-15 | | Release date: | 2009-02-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
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2K0V
 | | High Resolution Solution NMR Structures of Undamaged DNA Dodecamer Duplex | | Descriptor: | DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3') | | Authors: | Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L. | | Deposit date: | 2008-02-15 | | Release date: | 2009-02-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
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4DZW
 | | Crystal Structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2012-03-01 | | Release date: | 2013-01-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
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4LR6
 | | Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment | | Descriptor: | 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID | | Authors: | Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | | Deposit date: | 2013-07-19 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
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4DXJ
 | | Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-propylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2012-02-27 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
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4LRG
 | | Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide | | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4 | | Authors: | Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | | Deposit date: | 2013-07-19 | | Release date: | 2013-08-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
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