8AS0
 
 | | PD-1 extracellular domain in complex with Fab fragment from D12 antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ongaro, T, Scietti, L, Pluss, L, Peissert, F, Villa, A, Puca, E, De Luca, R, Neri, D, Forneris, F. | | Deposit date: | 2022-08-17 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Selection of a PD-1 blocking antibody from a novel fully human phage display library.
Protein Sci., 31, 2022
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2LYG
 | | Fuc_TBA | | Descriptor: | 2-hydroxyethyl 6-deoxy-beta-L-galactopyranoside, DNA (5'-D(P*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3') | | Authors: | Gomez-Pinto, I, Vengut-Climent, E, Lucas, R, Avio, A, Eritja, R, Gonzalez-Ibaez, C, Morales, J. | | Deposit date: | 2012-09-18 | | Release date: | 2014-01-29 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | Carbohydrate-DNA interactions at G-quadruplexes: folding and stability changes by attaching sugars at the 5'-end.
Chemistry, 19, 2013
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2N9H
 | | Glucose as a nuclease mimic in DNA | | Descriptor: | DNA (5'-D(*CP*TP*AP*GP*CP*(GL6)P*GP*TP*CP*AP*TP*C)-3'), DNA (5'-D(*GP*AP*TP*GP*AP*CP*TP*GP*CP*TP*AP*G)-3') | | Authors: | Gomez-Pinto, I, Vengut-Climent, E, Lucas, R, Avino, A, Eritja, R, Gonzalez-Ibanez, C, Morales, J, Muro, A, Penalver, P, Fonseca-Guerra, C, Bickelhaupt, M. | | Deposit date: | 2015-11-25 | | Release date: | 2016-08-31 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Glucose-Nucleobase Pseudo Base Pairs: Biomolecular Interactions within DNA.
Angew.Chem.Int.Ed.Engl., 55, 2016
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2N9F
 | | Glucose as non natural nucleobase | | Descriptor: | DNA (5'-D(*CP*TP*AP*GP*CP*GP*GP*TP*CP*AP*TP*C)-3'), DNA (5'-D(*GP*AP*TP*GP*AP*CP*(4JA)P*GP*CP*TP*AP*G)-3') | | Authors: | Gomez-Pinto, I, Vengut-Climent, E, Lucas, R, Avino, A, Eritja, R, Gonzalez-Ibanez, C, Morales, J, Penalver, P, Fonseca-Guerra, C, Bickelhaupt, M. | | Deposit date: | 2015-11-20 | | Release date: | 2016-08-31 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Glucose-Nucleobase Pseudo Base Pairs: Biomolecular Interactions within DNA.
Angew.Chem.Int.Ed.Engl., 55, 2016
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1KLA
 | | SOLUTION STRUCTURE OF TGF-B1, NMR, MODELS 1-17 OF 33 STRUCTURES | | Descriptor: | TRANSFORMING GROWTH FACTOR-BETA 1 | | Authors: | Hinck, A.P, Archer, S.J, Qian, S.W, Roberts, A.B, Sporn, M.B, Weatherbee, J.A, Tsang, M.L.-S, Lucas, R, Zhang, B.-L, Wenker, J, Torchia, D.A. | | Deposit date: | 1996-01-16 | | Release date: | 1996-08-17 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Transforming growth factor beta 1: three-dimensional structure in solution and comparison with the X-ray structure of transforming growth factor beta 2.
Biochemistry, 35, 1996
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1KLC
 | | SOLUTION STRUCTURE OF TGF-B1, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | TRANSFORMING GROWTH FACTOR-BETA 1 | | Authors: | Hinck, A.P, Archer, S.J, Qian, S.W, Roberts, A.B, Sporn, M.B, Weatherbee, J.A, Tsang, M.L.-S, Lucas, R, Zhang, B.-L, Wenker, J, Torchia, D.A. | | Deposit date: | 1996-01-16 | | Release date: | 1996-08-17 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Transforming growth factor beta 1: three-dimensional structure in solution and comparison with the X-ray structure of transforming growth factor beta 2.
Biochemistry, 35, 1996
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1KLD
 | | SOLUTION STRUCTURE OF TGF-B1, NMR, MODELS 18-33 OF 33 STRUCTURES | | Descriptor: | TRANSFORMING GROWTH FACTOR-BETA 1 | | Authors: | Hinck, A.P, Archer, S.J, Qian, S.W, Roberts, A.B, Sporn, M.B, Weatherbee, J.A, Tsang, M.L.-S, Lucas, R, Zhang, B.-L, Wenker, J, Torchia, D.A. | | Deposit date: | 1996-01-16 | | Release date: | 1996-08-17 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Transforming growth factor beta 1: three-dimensional structure in solution and comparison with the X-ray structure of transforming growth factor beta 2.
Biochemistry, 35, 1996
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4TR9
 | | Ternary co-crystal structure of fructose-bisphosphate aldolase from Plasmodium falciparum in complex with TRAP and a small molecule inhibitor | | Descriptor: | ALA-ALA-ALA-SER-LEU-TYR-GLU-LYS-LYS-ALA-ALA, ALA-ALA-SER-LEU-TYR-GLU-LYS-LYS-ALA-ALA, ASP-TRP-ASN, ... | | Authors: | Bosch, G, Weltzer, R, O'Malley, K, Bosch, J. | | Deposit date: | 2014-06-15 | | Release date: | 2015-08-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.111 Å) | | Cite: | Inhibition by stabilization: targeting the Plasmodium falciparum aldolase-TRAP complex.
Malar.J., 14, 2015
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5LEV
 | | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) | | Descriptor: | UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, UNKNOWN LIGAND | | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-30 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
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5O5E
 | | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with tunicamycin | | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ... | | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-06-01 | | Release date: | 2018-02-28 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
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2PC4
 | | Crystal structure of fructose-bisphosphate aldolase from Plasmodium falciparum in complex with TRAP-tail determined at 2.4 angstrom resolution | | Descriptor: | Fructose-bisphosphate aldolase, PbTRAP | | Authors: | Bosch, J, Buscaglia, C.A, Krumm, B, Cardozo, T, Nussenzweig, V, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | | Deposit date: | 2007-03-29 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Aldolase provides an unusual binding site for thrombospondin-related anonymous protein in the invasion machinery of the malaria parasite.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2EPH
 | | Crystal structure of fructose-bisphosphate aldolase from Plasmodium falciparum in complex with TRAP-tail determined at 2.7 angstrom resolution | | Descriptor: | Fructose-bisphosphate aldolase, PbTRAP | | Authors: | Bosch, J, Buscaglia, C.A, Krumm, B, Cardozo, T, Nussenzweig, V, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | | Deposit date: | 2007-03-30 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Aldolase provides an unusual binding site for thrombospondin-related anonymous protein in the invasion machinery of the malaria parasite.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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7QLF
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6FWZ
 | | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with UDP-GlcNAc | | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, MAGNESIUM ION, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ... | | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-07 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
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6FM9
 | | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) | | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase | | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-01-30 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
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6YQN
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide | | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-17 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
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6YQP
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW22 | | Descriptor: | (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-17 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
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6YQO
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW12 | | Descriptor: | (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-17 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
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