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2N9F
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BU of 2n9f by Molmil
Glucose as non natural nucleobase
分子名称: 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')
著者Gomez-Pinto, I, Vengut-Climent, E, Lucas, R, Avino, A, Eritja, R, Gonzalez-Ibanez, C, Morales, J, Penalver, P, Fonseca-Guerra, C, Bickelhaupt, M.
登録日2015-11-20
公開日2016-08-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Glucose-Nucleobase Pseudo Base Pairs: Biomolecular Interactions within DNA.
Angew.Chem.Int.Ed.Engl., 55, 2016
2N9H
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BU of 2n9h by Molmil
Glucose as a nuclease mimic in DNA
分子名称: 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')
著者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.
登録日2015-11-25
公開日2016-08-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Glucose-Nucleobase Pseudo Base Pairs: Biomolecular Interactions within DNA.
Angew.Chem.Int.Ed.Engl., 55, 2016
2LYG
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BU of 2lyg by Molmil
Fuc_TBA
分子名称: 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')
著者Gomez-Pinto, I, Vengut-Climent, E, Lucas, R, Avio, A, Eritja, R, Gonzalez-Ibaez, C, Morales, J.
登録日2012-09-18
公開日2014-01-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Carbohydrate-DNA interactions at G-quadruplexes: folding and stability changes by attaching sugars at the 5'-end.
Chemistry, 19, 2013
8AS0
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BU of 8as0 by Molmil
PD-1 extracellular domain in complex with Fab fragment from D12 antibody
分子名称: 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, ...
著者Ongaro, T, Scietti, L, Pluss, L, Peissert, F, Villa, A, Puca, E, De Luca, R, Neri, D, Forneris, F.
登録日2022-08-17
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Selection of a PD-1 blocking antibody from a novel fully human phage display library.
Protein Sci., 31, 2022
1KLC
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BU of 1klc by Molmil
SOLUTION STRUCTURE OF TGF-B1, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: TRANSFORMING GROWTH FACTOR-BETA 1
著者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.
登録日1996-01-16
公開日1996-08-17
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献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
1KLD
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BU of 1kld by Molmil
SOLUTION STRUCTURE OF TGF-B1, NMR, MODELS 18-33 OF 33 STRUCTURES
分子名称: TRANSFORMING GROWTH FACTOR-BETA 1
著者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.
登録日1996-01-16
公開日1996-08-17
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献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
1KLA
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BU of 1kla by Molmil
SOLUTION STRUCTURE OF TGF-B1, NMR, MODELS 1-17 OF 33 STRUCTURES
分子名称: TRANSFORMING GROWTH FACTOR-BETA 1
著者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.
登録日1996-01-16
公開日1996-08-17
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献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
5LEV
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BU of 5lev by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant)
分子名称: UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, UNKNOWN LIGAND
著者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)
登録日2016-06-30
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
4TR9
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BU of 4tr9 by Molmil
Ternary co-crystal structure of fructose-bisphosphate aldolase from Plasmodium falciparum in complex with TRAP and a small molecule inhibitor
分子名称: ALA-ALA-ALA-SER-LEU-TYR-GLU-LYS-LYS-ALA-ALA, ALA-ALA-SER-LEU-TYR-GLU-LYS-LYS-ALA-ALA, ASP-TRP-ASN, ...
著者Bosch, G, Weltzer, R, O'Malley, K, Bosch, J.
登録日2014-06-15
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.111 Å)
主引用文献Inhibition by stabilization: targeting the Plasmodium falciparum aldolase-TRAP complex.
Malar.J., 14, 2015
2EPH
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BU of 2eph by Molmil
Crystal structure of fructose-bisphosphate aldolase from Plasmodium falciparum in complex with TRAP-tail determined at 2.7 angstrom resolution
分子名称: Fructose-bisphosphate aldolase, PbTRAP
著者Bosch, J, Buscaglia, C.A, Krumm, B, Cardozo, T, Nussenzweig, V, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2007-03-30
公開日2007-04-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
5O5E
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BU of 5o5e by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with tunicamycin
分子名称: (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, ...
著者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)
登録日2017-06-01
公開日2018-02-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
6YQN
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BU of 6yqn by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9
分子名称: 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
著者Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-17
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
6YQP
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BU of 6yqp by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW22
分子名称: (~{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
著者Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-17
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
6YQO
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BU of 6yqo by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW12
分子名称: (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
著者Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-17
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
7QLF
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BU of 7qlf by Molmil
Conformational ensemble of solnatide in solution
分子名称: Tumor necrosis factor
著者Macias, M.J, Martin-Malpartida, P.
登録日2021-12-20
公開日2022-06-08
実験手法SOLUTION NMR
主引用文献Conformational ensemble of the TNF-derived peptide solnatide in solution.
Comput Struct Biotechnol J, 20, 2022
2PC4
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BU of 2pc4 by Molmil
Crystal structure of fructose-bisphosphate aldolase from Plasmodium falciparum in complex with TRAP-tail determined at 2.4 angstrom resolution
分子名称: Fructose-bisphosphate aldolase, PbTRAP
著者Bosch, J, Buscaglia, C.A, Krumm, B, Cardozo, T, Nussenzweig, V, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2007-03-29
公開日2007-04-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
6FWZ
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BU of 6fwz by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with UDP-GlcNAc
分子名称: (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, ...
著者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)
登録日2018-03-07
公開日2018-07-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
6FM9
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BU of 6fm9 by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1)
分子名称: (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
著者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)
登録日2018-01-30
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018

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