5DXU
 
 | | p110delta/p85alpha 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, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta 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 (2.64 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
|
|
4RWQ
 | | Crystal structure of the apo-state of porcine OAS1 | | Descriptor: | 2'-5'-oligoadenylate synthase 1 | | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | | Deposit date: | 2014-12-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
|
|
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
|
|
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
|
|
4RWN
 | | Crystal structure of the pre-reactive state of porcine OAS1 | | Descriptor: | 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | | Deposit date: | 2014-12-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
|
|
1KYX
 | | Lumazine Synthase from S.pombe bound to carboxyethyllumazine | | Descriptor: | 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION | | Authors: | Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M. | | Deposit date: | 2002-02-06 | | Release date: | 2002-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
|
|
1KZ4
 | | Mutant enzyme W63Y Lumazine Synthase from S.pombe | | Descriptor: | 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION | | Authors: | Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M. | | Deposit date: | 2002-02-06 | | Release date: | 2002-07-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
|
|
4RWO
 | | Crystal structure of the porcine OAS1 L149R mutant in complex with dsRNA and ApCpp in the AMP donor position | | Descriptor: | 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | | Deposit date: | 2014-12-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
|
|
4GHQ
 | | Crystal structure of EV71 3C proteinase | | Descriptor: | 3C proteinase | | Authors: | Chen, C, Wu, C, Cai, Q, Li, N, Peng, X, Cai, Y, Yin, K, Chen, X, Wang, X, Zhang, R, Liu, L, Chen, S, Li, J, Lin, T. | | Deposit date: | 2012-08-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of Enterovirus 71 3C proteinase (strain E2004104-TW-CDC) and its complex with rupintrivir
Acta Crystallogr.,Sect.D, 69, 2013
|
|
1KYV
 | | Lumazine Synthase from S.pombe bound to riboflavin | | Descriptor: | 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION, RIBOFLAVIN | | Authors: | Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M. | | Deposit date: | 2002-02-06 | | Release date: | 2002-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
|
|
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
|
|
1KZL
 | | Riboflavin Synthase from S.pombe bound to Carboxyethyllumazine | | Descriptor: | 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, MERCURY (II) ION, Riboflavin Synthase | | Authors: | Gerhardt, S, Schott, A.K, Kairies, N, Cushman, M, Illarionov, B, Eisenreich, W, Bacher, A, Huber, R, Steinbacher, S, Fischer, M. | | Deposit date: | 2002-02-07 | | Release date: | 2002-11-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Studies on the Reaction Mechanism of Riboflavin Synthase; X-Ray Crystal Structure of a Complex with 6-Carboxyethyl-7-Oxo-8-Ribityllumazine
STRUCTURE, 10, 2002
|
|
5T8F
 | | p110delta/p85alpha with taselisib (GDC-0032) | | Descriptor: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Moertl, M, Steinbacher, S, Eigenbrot, C. | | Deposit date: | 2016-09-07 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
|
|
5FNA
 | | Cryo-EM reconstruction of caspase-1 CARD | | Descriptor: | Caspase-1 | | Authors: | Li, Y, Lu, A, Schmidt, F.I, Yin, Q, Chen, S, Fu, T.M, Tong, A.B, Ploegh, H.L, Mao, Y, Wu, H. | | Deposit date: | 2015-11-11 | | Release date: | 2016-03-30 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Molecular Basis of Caspase-1 Polymerization and its Inhibition by a Novel Capping Mechanism
Nat.Struct.Mol.Biol., 23, 2016
|
|
1KZ6
 | | Mutant enzyme W63Y/L119F Lumazine Synthase from S.pombe | | Descriptor: | 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION | | Authors: | Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M. | | Deposit date: | 2002-02-06 | | Release date: | 2002-07-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
|
|
1KYY
 | | Lumazine Synthase from S.pombe bound to nitropyrimidinedione | | Descriptor: | 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION | | Authors: | Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M. | | Deposit date: | 2002-02-06 | | Release date: | 2002-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
|
|
4GHT
 | | Crystal structure of EV71 3C proteinase in complex with AG7088 | | Descriptor: | 3C proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Chen, C, Wu, C, Cai, Q, Li, N, Peng, X, Cai, Y, Yin, K, Chen, X, Wang, X, Zhang, R, Liu, L, Chen, S, Li, J, Lin, T. | | Deposit date: | 2012-08-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structures of Enterovirus 71 3C proteinase (strain E2004104-TW-CDC) and its complex with rupintrivir
Acta Crystallogr.,Sect.D, 69, 2013
|
|
2JDW
 | |
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
|
|
6CM2
 | | SAMHD1 HD domain bound to decitabine triphosphate | | Descriptor: | 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Oellerich, T, Schneider, C, Thomas, D, Knecht, K.M, Buzovetsky, O, Kaderali, L, Schliemann, C, Bohnenberger, H, Angenendt, L, Hartmann, W, Wardelmann, E, Rothenburger, T, Mohr, S, Scheich, S, Comoglio, F, Wilke, A, Strobel, P, Serve, H, Michaelis, M, Ferreiros, N, Geisslinger, G, Xiong, Y, Keppler, O.T, Cinatl, J. | | Deposit date: | 2018-03-02 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Selective inactivation of hypomethylating agents by SAMHD1 provides a rationale for therapeutic stratification in AML.
Nat Commun, 10, 2019
|
|
1JDW
 | | CRYSTAL STRUCTURE AND MECHANISM OF L-ARGININE: GLYCINE AMIDINOTRANSFERASE: A MITOCHONDRIAL ENZYME INVOLVED IN CREATINE BIOSYNTHESIS | | Descriptor: | BETA-MERCAPTOETHANOL, L-ARGININE:GLYCINE AMIDINOTRANSFERASE | | Authors: | Humm, A, Fritsche, E, Steinbacher, S, Huber, R. | | Deposit date: | 1997-01-22 | | Release date: | 1998-01-28 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure and mechanism of human L-arginine:glycine amidinotransferase: a mitochondrial enzyme involved in creatine biosynthesis.
EMBO J., 16, 1997
|
|
2J6B
 | | crystal structure of AFV3-109, a highly conserved protein from crenarchaeal viruses | | Descriptor: | AFV3-109 | | Authors: | Keller, J, Leulliot, N, Cambillau, C, Campanacci, V, Porciero, S, Prangishvili, D, Cortez, D, Quevillon-Cheruel, S, Van Tilbeurgh, H. | | Deposit date: | 2006-09-27 | | Release date: | 2007-02-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of Afv3-109, a Highly Conserved Protein from Crenarchaeal Viruses.
Virol J., 4, 2007
|
|
2J6C
 | | crystal structure of AFV3-109, a highly conserved protein from crenarchaeal viruses | | Descriptor: | AFV3-109, GLYCEROL | | Authors: | Keller, J, Leulliot, N, Cambillau, C, Campanacci, V, Porciero, S, Prangishvili, D, Cortez, D, Quevillon-Cheruel, S, Van Tilbeurgh, H. | | Deposit date: | 2006-09-27 | | Release date: | 2007-02-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of Afv3-109, a Highly Conserved Protein from Crenarchaeal Viruses.
Virol J., 4, 2007
|
|
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
|
|
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
|
|
