4X63
 
 | | Crystal structure of PRMT5:MEP50 with EPZ015666 and SAH | | Descriptor: | Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, Protein arginine N-methyltransferase 5, ... | | Authors: | Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-06 | | Release date: | 2015-04-22 | | Last modified: | 2015-05-27 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models.
Nat.Chem.Biol., 11, 2015
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1N1L
 | | CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND INHIBITOR (GW472467X) | | Descriptor: | HCV NS3 SERINE PROTEASE, NS4A COFACTOR, ZINC ION, ... | | Authors: | Andrews, D.M, Chaignot, H, Coomber, B.A, Good, A.C, Hind, S.L, Jones, P.S, Mill, G, Robinson, J.E, Skarzynski, T, Slater, M.J, Somers, D.O.N. | | Deposit date: | 2002-10-18 | | Release date: | 2003-10-21 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Pyrrolidine-5,5-trans-lactams. 2. The use of X-ray Crystal Structure Data in the Optimisation of P3 and P4 Substituents
Org.Lett., 4, 2002
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6RM7
 | | Fragment AZ-026 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Somsen, B, Wolter, M, Guillory, X, Genet, S, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-05-05 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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7WD4
 | | Crystal structure of the Ilheus virus helicase: implications for enzyme function and drug design | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, NS3 helicase | | Authors: | Wang, D.P, Wang, M.Y, Zhou, X, Wang, W.M, Cao, J.M. | | Deposit date: | 2021-12-21 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of the Ilheus virus helicase: implications for enzyme function and drug design
To Be Published
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3R7W
 | | Crystal Structure of Gtr1p-Gtr2p complex | | Descriptor: | GTP-binding protein GTR1, GTP-binding protein GTR2, MAGNESIUM ION, ... | | Authors: | Gong, R, Li, L, Liu, Y, Wang, P, Yang, H, Wang, L, Cheng, J, Guan, K.L, Xu, Y. | | Deposit date: | 2011-03-23 | | Release date: | 2011-08-24 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (2.773 Å) | | Cite: | Crystal structure of the Gtr1p-Gtr2p complex reveals new insights into the amino acid-induced TORC1 activation
Genes Dev., 25, 2011
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6SIO
 | | Fragment AZ-017 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 5-methyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-08-10 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.60418 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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1OAN
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4X60
 | | Crystal structure of PRMT5:MEP50 with EPZ015666 and sinefungin | | Descriptor: | GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ... | | Authors: | Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-06 | | Release date: | 2015-04-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models.
Nat.Chem.Biol., 11, 2015
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4X6Q
 | | An Isoform-specific Myristylation Switch Targets RIIb PKA Holoenzymes to Membranes | | Descriptor: | cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type II-beta regulatory subunit | | Authors: | Zhang, P, Ye, F, Bastidas, A.C, Kornev, A.P, Ginsberg, M.H, Taylor, S.S. | | Deposit date: | 2014-12-08 | | Release date: | 2015-07-22 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | An Isoform-Specific Myristylation Switch Targets Type II PKA Holoenzymes to Membranes.
Structure, 23, 2015
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4X61
 | | Crystal structure of PRMT5:MEP50 with EPZ015666 and SAM | | Descriptor: | GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ... | | Authors: | Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-06 | | Release date: | 2015-04-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models.
Nat.Chem.Biol., 11, 2015
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6RLQ
 | | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ45031882 | | Descriptor: | (1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 | | Authors: | Brown, D.G, Robinson, C.M, Pande, V. | | Deposit date: | 2019-05-02 | | Release date: | 2020-07-15 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ45031882
To Be Published
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4AQG
 | | X-ray crystallographic structure of Crimean-congo haemorrhagic fever virus nucleoprotein | | Descriptor: | NUCLEOPROTEIN, SULFATE ION | | Authors: | Wang, Y, Dutta, S, Karlberg, H, Devignot, S, Weber, F, Hao, Q, Tan, Y.J, Mirazimi, A, Kotaka, M. | | Deposit date: | 2012-04-17 | | Release date: | 2012-09-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Crimean-Congo Haemorraghic Fever Virus Nucleoprotein: Superhelical Homo-Oligomers and the Role of Caspase-3 Cleavage.
J.Virol., 86, 2012
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6RKK
 | | Fragment AZ-021 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-04-30 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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2C9C
 | | Structural basis of the nucleotide driven conformational changes in the AAA domain of transcription activator PspF | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PSP OPERON TRANSCRIPTIONAL ACTIVATOR | | Authors: | Rappas, M, Schumacher, J, Niwa, H, Buck, M, Zhang, X. | | Deposit date: | 2005-12-09 | | Release date: | 2006-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis of the Nucleotide Driven Conformational Changes in the Aaa(+) Domain of Transcription Activator Pspf.
J.Mol.Biol., 357, 2006
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6RWI
 | | Fragment AZ-002 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 5-phenylthiophene-2-carboximidamide, CALCIUM ION, ... | | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-06-05 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6RWS
 | | Fragment AZ-009 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, Cellular tumor antigen p53, ... | | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-06-06 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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1NS3
 | | STRUCTURE OF HCV PROTEASE (BK STRAIN) | | Descriptor: | NS3 PROTEASE, NS4A PEPTIDE, ZINC ION | | Authors: | Yan, Y, Munshi, S, Chen, Z. | | Deposit date: | 1997-04-05 | | Release date: | 1998-04-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Complex of NS3 protease and NS4A peptide of BK strain hepatitis C virus: a 2.2 A resolution structure in a hexagonal crystal form.
Protein Sci., 7, 1998
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1OK8
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6RWH
 | | Fragment AZ-007 binding at a primary and secondary binding site of the the p53pT387/14-3-3 sigma complex | | Descriptor: | 14-3-3 protein sigma, 5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... | | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-06-05 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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2C98
 | | Structural basis of the nucleotide driven conformational changes in the AAA domain of transcription activator PspF | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PSP OPERON TRANSCRIPTIONAL ACTIVATOR | | Authors: | Rappas, M, Schumacher, J, Niwa, H, Buck, M, Zhang, X. | | Deposit date: | 2005-12-09 | | Release date: | 2006-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis of the Nucleotide Driven Conformational Changes in the Aaa(+) Domain of Transcription Activator Pspf.
J.Mol.Biol., 357, 2006
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2C99
 | | Structural basis of the nucleotide driven conformational changes in the AAA domain of transcription activator PspF | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PSP OPERON TRANSCRIPTIONAL ACTIVATOR | | Authors: | Rappas, M, Schumacher, J, Niwa, H, Buck, M, Zhang, X. | | Deposit date: | 2005-12-09 | | Release date: | 2006-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis of the Nucleotide Driven Conformational Changes in the Aaa(+) Domain of Transcription Activator Pspf.
J.Mol.Biol., 357, 2006
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4K6R
 | | Crystal structure of GlmU in complex with ATP | | Descriptor: | 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional protein GlmU, ... | | Authors: | Vithani, N, Prakash, B. | | Deposit date: | 2013-04-16 | | Release date: | 2014-04-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | GlmU (N-acetylglucosamine-1-phosphate uridyltransferase) bound to three magnesium ions and ATP at the active site.
Acta Crystallogr.,Sect.F, 70, 2014
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2C96
 | | Structural basis of the nucleotide driven conformational changes in the AAA domain of transcription activator PspF | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, PSP OPERON TRANSCRIPTIONAL ACTIVATOR | | Authors: | Rappas, M, Schumacher, J, Niwa, H, Buck, M, Zhang, X. | | Deposit date: | 2005-12-09 | | Release date: | 2006-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of the Nucleotide Driven Conformational Changes in the Aaa(+) Domain of Transcription Activator Pspf.
J.Mol.Biol., 357, 2006
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6RJZ
 | | Fragment AZ-015 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-04-29 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6RKI
 | | Fragment AZ-023 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-04-30 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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