5DXH
 
 | | p110alpha/p85alpha with compound 5 | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate | | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | | Deposit date: | 2015-09-23 | | Release date: | 2016-01-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
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5DXT
 | | p110alpha with GDC-0326 | | Descriptor: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, 1,2-ETHANEDIOL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | | Deposit date: | 2015-09-23 | | Release date: | 2016-01-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
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6H06
 | | FAB CBTAU-22.1 IN COMPLEX WITH TAU PEPTIDE V1088-5 | | Descriptor: | GLYCEROL, HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-22.1, HUMAN FAB ANTIBODY FRAGMENT OF HCBTAU-22.1, ... | | Authors: | Juraszek, J, Steinbacher, S. | | Deposit date: | 2018-07-06 | | Release date: | 2018-07-25 | | Last modified: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Enhancement of therapeutic potential of a naturally occurring human antibody targeting a phosphorylated Ser422containing epitope on pathological tau.
Acta Neuropathol Commun, 6, 2018
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6H0E
 | | FAB dmCBTAU-22.1 IN COMPLEX WITH TAU PEPTIDE V1088-23 | | Descriptor: | GLYCEROL, HUMAN FAB ANTIBODY FRAGMENT OF dmCBTAU-22.1, Microtubule-associated protein tau | | Authors: | Juraszek, J, Steinbacher, S. | | Deposit date: | 2018-07-09 | | Release date: | 2018-07-25 | | Last modified: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Enhancement of therapeutic potential of a naturally occurring human antibody targeting a phosphorylated Ser422containing epitope on pathological tau.
Acta Neuropathol Commun, 6, 2018
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5C1U
 | | Crystal structure of EV71 3C Proteinase in complex with Compound Xb | | Descriptor: | (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide, 3C proteinase | | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | | Deposit date: | 2015-06-15 | | Release date: | 2016-06-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
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5C1X
 | | Crystal structure of EV71 3C Proteinase in complex with Compound VIII | | Descriptor: | (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | | Deposit date: | 2015-06-15 | | Release date: | 2016-06-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
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5C1Y
 | | Crystal structure of EV71 3C Proteinase in complex with Compound 1 | | Descriptor: | 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate | | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | | Deposit date: | 2015-06-15 | | Release date: | 2016-06-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
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6TMR
 | | Mokola virus glycoprotein, monomeric post-fusion conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, TERBIUM(III) ION | | Authors: | Belot, L, Roche, S, Legrand, P, Gaudin, Y, Albertini, A. | | Deposit date: | 2019-12-05 | | Release date: | 2020-02-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.893 Å) | | Cite: | Crystal structure of Mokola virus glycoprotein in its post-fusion conformation.
Plos Pathog., 16, 2020
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5C20
 | | Crystal structure of EV71 3C Proteinase in complex with Compound 2 | | Descriptor: | 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | | Deposit date: | 2015-06-15 | | Release date: | 2016-06-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
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4M1L
 | | Complex of IQCG and Ca2+-bound CaM | | Descriptor: | CALCIUM ION, Calmodulin, IQ domain-containing protein G, ... | | Authors: | Liang, W.X, Chen, L.T, Chen, Z, Chen, S.J, Chen, S. | | Deposit date: | 2013-08-03 | | Release date: | 2014-05-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functional and molecular features of the calmodulin-interacting protein IQCG required for haematopoiesis in zebrafish
Nat Commun, 5, 2014
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6BY7
 | | Folding DNA into a lipid-conjugated nano-barrel for controlled reconstitution of membrane proteins | | Descriptor: | DNA (26-MER), DNA (27-MER), DNA (29-MER), ... | | Authors: | Dong, Y, Chen, S, Zhang, S, Sodroski, J, Yang, Z, Liu, D, Mao, Y. | | Deposit date: | 2017-12-20 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (7.5 Å) | | Cite: | Folding DNA into a Lipid-Conjugated Nanobarrel for Controlled Reconstitution of Membrane Proteins.
Angew. Chem. Int. Ed. Engl., 57, 2018
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4LZX
 | | Complex of IQCG and Ca2+-free CaM | | Descriptor: | Calmodulin, IQ domain-containing protein G, SULFATE ION | | Authors: | Liang, W.X, Chen, L.T, Chen, Z, Chen, S.J, Chen, S. | | Deposit date: | 2013-08-01 | | Release date: | 2014-05-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Functional and molecular features of the calmodulin-interacting protein IQCG required for haematopoiesis in zebrafish
Nat Commun, 5, 2014
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4WIT
 | | TMEM16 lipid scramblase in crystal form 2 | | Descriptor: | CALCIUM ION, Predicted protein | | Authors: | Dutzler, R, Brunner, J.D, Lim, N.K, Schenck, S. | | Deposit date: | 2014-09-26 | | Release date: | 2014-11-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | X-ray structure of a calcium-activated TMEM16 lipid scramblase.
Nature, 516, 2014
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4WIS
 | | Crystal structure of the lipid scramblase nhTMEM16 in crystal form 1 | | Descriptor: | CALCIUM ION, lipid scramblase | | Authors: | Dutzler, R, Brunner, J.D, Lim, N.K, Schenck, S. | | Deposit date: | 2014-09-26 | | Release date: | 2014-11-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | X-ray structure of a calcium-activated TMEM16 lipid scramblase.
Nature, 516, 2014
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4WOH
 | | Structure of of human dual-specificity phosphatase 22 (E24A/K28A/K30A/C88S) complexed with 4-nitrophenolphosphate | | Descriptor: | 1,2-ETHANEDIOL, 4-NITROPHENYL PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lountos, G.T, Cherry, S, Tropea, J.E, Waugh, D.S. | | Deposit date: | 2014-10-15 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Structural analysis of human dual-specificity phosphatase 22 complexed with a phosphotyrosine-like substrate.
Acta Crystallogr.,Sect.F, 71, 2015
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4KI0
 | | Crystal structure of the maltose-binding protein/maltose transporter complex in an outward-facing conformation bound to maltohexaose | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, ABC transporter related protein, Binding-protein-dependent transport systems inner membrane component, ... | | Authors: | Oldham, M.L, Chen, S, Chen, J. | | Deposit date: | 2013-05-01 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural basis for substrate specificity in the Escherichia coli maltose transport system.
Proc.Natl.Acad.Sci.USA, 110, 2013
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8DEB
 | | Bacteroides fragilis carboxyspermidine dehydrogenase | | Descriptor: | Carboxyspermidine dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | McFarlane, J.S, Bouchey, S, Dodd, J. | | Deposit date: | 2022-06-20 | | Release date: | 2023-08-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Kinetic and structural characterization of carboxyspermidine dehydrogenase of polyamine biosynthesis.
J.Biol.Chem., 299, 2023
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5A8H
 | | cryo-ET subtomogram averaging of BG505 SOSIP.664 in complex with sCD4, 17b, and 8ANC195 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB OF BROADLY NEUTRALIZING ANTIBODY 17B, FAB OF BROADLY NEUTRALIZING ANTIBODY 8ANC195 VARIANT G52K5, ... | | Authors: | Scharf, L, Wang, H, Gao, H, Chen, S, McDowall, A, Bjorkman, P. | | Deposit date: | 2015-07-15 | | Release date: | 2015-08-05 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (23 Å) | | Cite: | Broadly Neutralizing Antibody 8ANC195 Recognizes Closed and Open States of HIV-1 Env.
Cell, 162, 2015
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5A7X
 | | negative stain EM of BG505 SOSIP.664 in complex with sCD4, 17b, and 8ANC195 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB OF BROADLY NEUTRALIZING ANTIBODY 17B, FAB OF BROADLY NEUTRALIZING ANTIBODY 8ANC195, ... | | Authors: | Scharf, L, Wang, H, Gao, H, Chen, S, McDowall, A, Bjorkman, P. | | Deposit date: | 2015-07-10 | | Release date: | 2015-08-05 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (17 Å) | | Cite: | Broadly Neutralizing Antibody 8Anc195 Recognizes Closed and Open States of HIV-1 Env.
Cell(Cambridge,Mass.), 162, 2015
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1MZP
 | | Structure of the L1 protuberance in the ribosome | | Descriptor: | 50s ribosomal protein L1P, MAGNESIUM ION, fragment of 23S rRNA | | Authors: | Nikulin, A, Eliseikina, I, Tishchenko, S, Nevskaya, N, Davydova, N, Platonova, O, Piendl, W, Selmer, M, Liljas, A, Zimmermann, R, Garber, M, Nikonov, S. | | Deposit date: | 2002-10-09 | | Release date: | 2003-01-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of the L1 protuberance in the ribosome.
Nat.Struct.Biol., 10, 2003
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4KYK
 | | Crystal structure of mouse glyoxalase I complexed with indomethacin | | Descriptor: | INDOMETHACIN, Lactoylglutathione lyase, ZINC ION | | Authors: | Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y. | | Deposit date: | 2013-05-29 | | Release date: | 2013-08-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
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2J8A
 | | X-ray structure of the N-terminus RRM domain of Set1 | | Descriptor: | HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-4 SPECIFIC | | Authors: | Tresaugues, L, Dehe, P.M, Guerois, R, Rodriguez-Gil, A, Varlet, I, Salah, P, Pamblanco, M, Luciano, P, Quevillon-Cheruel, S, Sollier, J, Leulliot, N, Couprie, J, Tordera, V, Zinn-Justin, S, Chavez, S, Van Tilbeurgh, H, Geli, V. | | Deposit date: | 2006-10-24 | | Release date: | 2007-03-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | X-Ray Structure of the N-Terminus Rrm Domain of Set1
To be Published
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6APX
 | | Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1 | | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1, Monobody YSX1, ... | | Authors: | Gumpena, R, Lountos, G.T, Sreejith, R.K, Tropea, J.E, Cherry, S, Waugh, D.S. | | Deposit date: | 2017-08-18 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.491 Å) | | Cite: | Crystal structure of the human dual specificity phosphatase 1 catalytic domain.
Protein Sci., 27, 2018
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4KYH
 | | Crystal structure of mouse glyoxalase I complexed with zopolrestat | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Lactoylglutathione lyase, ZINC ION | | Authors: | Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y. | | Deposit date: | 2013-05-29 | | Release date: | 2013-08-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
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6B8A
 | | Crystal structure of MvfR ligand binding domain in complex with M64 | | Descriptor: | 2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide, COBALT HEXAMMINE(III), DNA-binding transcriptional regulator | | Authors: | Kitao, T, Steinbacher, S, Maskos, K, Blaesse, M, Rahme, L.G. | | Deposit date: | 2017-10-05 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Molecular Insights into Function and Competitive Inhibition ofPseudomonas aeruginosaMultiple Virulence Factor Regulator.
MBio, 9, 2018
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