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8A6C
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BU of 8a6c by Molmil
1 picosecond light activated crystal structure of bovine rhodopsin in Lipidic Cubic Phase
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C.J, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P.J.M, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C.M, Diethelm, A.D, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V.
登録日2022-06-17
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023
6AR9
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Crystal structure of hypoxanthine-guanine-xanthine phosphorybosyltranferase in complex with [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, putative, MAGNESIUM ION, ...
著者Teran, D, Gudday, L.W.
登録日2017-08-21
公開日2018-03-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
6APT
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Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
分子名称: DI(HYDROXYETHYL)ETHER, Hypoxanthine-guanine phosphoribosyltransferase, {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
著者Teran, D, Guddat, L.W.
登録日2017-08-17
公開日2018-03-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
2A4Z
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Crystal Structure of human PI3Kgamma complexed with AS604850
分子名称: (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, gamma isoform
著者Camps, M, Ruckle, T, Ji, H, Ardissone, V, Rintelen, F, Shaw, J, Ferrandi, C, Chabert, C, Gillieron, C, Francon, B, Martin, T, Gretener, D, Perrin, D, Leroy, D, Vitte, P.-A, Hirsch, E, Wymann, M.P, Cirillo, R, Schwarz, M.K, Rommel, C.
登録日2005-06-30
公開日2005-09-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Blockade of PI3Kgamma suppresses joint inflammation and damage in mouse models of rheumatoid arthritis
NAT.MED. (N.Y.), 11, 2005
1Y81
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Conserved hypothetical protein Pfu-723267-001 from Pyrococcus furiosus
分子名称: COENZYME A, THIOCYANATE ION, UNKNOWN ATOM OR ION, ...
著者Zhao, M, Chang, J, Habel, J, Xu, H, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-12-10
公開日2005-01-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Conserved hypothetical protein Pfu-723267-001 from Pyrococcus furiosus
To be published
1VRU
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HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
分子名称: ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE, HIV-1 REVERSE TRANSCRIPTASE
著者Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D.
登録日1995-04-19
公開日1996-04-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
1VRT
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HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION
著者Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D.
登録日1995-04-19
公開日1996-04-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
1YBZ
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BU of 1ybz by Molmil
Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001
分子名称: UNKNOWN ATOM OR ION, chorismate mutase
著者Lee, D, Chen, L, Nguyen, D, Dillard, B.D, Tempel, W, Habel, J, Zhou, W, Chang, S.-H, Kelley, L.-L.C, Liu, Z.-J, Lin, D, Zhang, H, Praissman, J, Bridger, S, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-12-21
公開日2005-02-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001
To be published
2A5U
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BU of 2a5u by Molmil
Crystal Structure of human PI3Kgamma complexed with AS605240
分子名称: (5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, gamma isoform
著者Camps, M, Ruckle, T, Ji, H, Ardissone, V, Rintelen, F, Shaw, J, Ferrandi, C, Chabert, C, Gillieron, C, Francon, B, Martin, T, Gretener, D, Perrin, D, Leroy, D, Vitte, P.-A, Hirsch, E, Wymann, M.P, Cirillo, R, Schwarz, M.K, Rommel, C.
登録日2005-07-01
公開日2005-09-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Blockade of PI3Kgamma suppresses joint inflammation and damage in mouse models of rheumatoid arthritis
NAT.MED. (N.Y.), 11, 2005
1Y82
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BU of 1y82 by Molmil
Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus
分子名称: UNKNOWN ATOM OR ION, hypothetical protein
著者Horanyi, P, Tempel, W, Habel, J, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Florence, Q, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-12-10
公開日2005-01-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus
To be published
1YB3
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BU of 1yb3 by Molmil
Conserved hypothetical protein Pfu-178653-001 from Pyrococcus furiosus
分子名称: UNKNOWN ATOM OR ION, hypothetical protein
著者Habel, J, Zhou, W, Chang, J, Zhao, M, Xu, H, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Horanyi, P, Florence, Q, Tempel, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-12-19
公開日2005-02-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Conserved hypothetical protein Pfu-178653-001 from Pyrococcus furiosus
To be published
1YD7
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BU of 1yd7 by Molmil
Conserved hypothetical protein Pfu-1647980-001 from Pyrococcus furiosus
分子名称: 2-keto acid:ferredoxin oxidoreductase subunit alpha, UNKNOWN ATOM OR ION
著者Horanyi, P, Florence, Q, Zhou, W, Chang, J, Zhao, M, Habel, J, Xu, H, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Tempel, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-12-23
公開日2005-02-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conserved hypothetical protein Pfu-1647980-001 from Pyrococcus furiosus
To be published
1YCY
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BU of 1ycy by Molmil
Conserved hypothetical protein Pfu-1806301-001 from Pyrococcus furiosus
分子名称: Conserved hypothetical protein
著者Huang, L, Liu, Z.-J, Lee, D, Tempel, W, Chang, J, Zhao, M, Habel, J, Xu, H, Chen, L, Nguyen, D, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-12-23
公開日2005-02-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conserved hypothetical protein Pfu-1806301-001 from Pyrococcus furiosus
To be published
2HG7
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BU of 2hg7 by Molmil
Solution NMR structure of Phage-like element PBSX protein xkdW, Northeast Structural Genomics Consortium Target SR355
分子名称: Phage-like element PBSX protein xkdW
著者Liu, G, Parish, D, Xu, D, Atreya, H, Sukumaran, D, Ho, C.K, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2006-06-26
公開日2006-08-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution NMR structure of Phage-like element PBSX protein xkdW, Northeast Structural Genomics Consortium Target SR355
TO BE PUBLISHED
6WFZ
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BU of 6wfz by Molmil
Crystal structure of Fab399 in complex with NPNA3 peptide from circumsporozoite protein
分子名称: Fab399 heavy chain, Fab399 light chain, NPNA3 peptide
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2020-04-04
公開日2020-07-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
8ILV
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BU of 8ilv by Molmil
Cryo-EM structure of PI3Kalpha in complex with compound 18
分子名称: N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2023-03-04
公開日2023-09-06
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
4WRT
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BU of 4wrt by Molmil
Crystal structure of Influenza B polymerase with bound vRNA promoter (form FluB2)
分子名称: Influenza virus polymerase vRNA promoter 3' end, Influenza virus polymerase vRNA promoter 5' end, PA, ...
著者Reich, S, Guilligay, D, Pflug, A, Cusack, S.
登録日2014-10-25
公開日2014-11-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insight into cap-snatching and RNA synthesis by influenza polymerase.
Nature, 516, 2014
8RQ9
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Crystal structure of PROTAC CFT-1297 in complex with CRBN-midi and BRD4(BD2)
分子名称: (3~{S})-3-[7-[1-[7-[4-[6-(4-chlorophenyl)-1-methyl-spiro[[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4,1'-cyclopropane]-8-yl]pyrazol-1-yl]heptyl]piperidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]piperidine-2,6-dione, Bromodomain-containing protein 4, Protein cereblon, ...
著者Darren, D, Ramachandran, S, Kroupova, A, Zollman, D, Ciulli, A.
登録日2024-01-17
公開日2024-09-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Design of a Cereblon construct for crystallographic and biophysical studies of protein degraders.
Nat Commun, 15, 2024
8ILS
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BU of 8ils by Molmil
Cryo-EM structure of PI3Kalpha in complex with compound 17
分子名称: N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2023-03-04
公開日2023-09-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
4WUY
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Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor
分子名称: 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ...
著者Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M.
登録日2014-11-04
公開日2015-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290, 2015
6WFY
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Crystal structure of Fab224 in complex with NPNA4 peptide from circumsporozoite protein
分子名称: Fab224 heavy chain, Fab224 light chain, NPNA4 peptide
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2020-04-04
公開日2020-07-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.226 Å)
主引用文献Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
6YEV
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BU of 6yev by Molmil
Crystal structure of MsrA C206 and Trx C35S complex from Escherichia coli
分子名称: Peptide methionine sulfoxide reductase MsrA, SODIUM ION, Thioredoxin 1
著者Napolitano, S, Zyla, D, Glockshuber, R.
登録日2020-03-25
公開日2021-04-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structure of a complex between the single-cysteine mutant MsrA C206 and Trx C35S from Escherichia coli
To Be Published
6YM5
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BU of 6ym5 by Molmil
Crystal structure of BAY-091 with PIP4K2A
分子名称: (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
著者Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C.
登録日2020-04-07
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
6YHT
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A lid blocking mechanism of a cone snail toxin revealed at the atomic level
分子名称: CITRIC ACID, Conk-C1, SULFATE ION
著者Saikia, C, Altman-Gueta, H, Dym, O, Frolow, F, Gurevitz, M, Gordon, D, Reuveny, E, Karbat, I.
登録日2020-03-31
公開日2021-04-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A Molecular Lid Mechanism of K + Channel Blocker Action Revealed by a Cone Peptide.
J.Mol.Biol., 433, 2021
6YHY
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A lid blocking mechanism of a cone snail toxin revealed at the atomic level
分子名称: Conk-S1
著者Saikia, C, Altman-Gueta, H, Dym, O, Frolow, F, Gurevitz, M, Gordon, D, Reuveny, E, Karbat, I.
登録日2020-03-31
公開日2021-04-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Molecular Lid Mechanism of K + Channel Blocker Action Revealed by a Cone Peptide.
J.Mol.Biol., 433, 2021

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件を2025-07-09に公開中

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