5G5I
 
 | | S. enterica HisA mutant D10G | | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION | | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | | Deposit date: | 2016-05-25 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5G1T
 | | S. enterica HisA mutant dup13-15, D10G | | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION | | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | | Deposit date: | 2016-03-30 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5G2I
 | | S. enterica HisA mutant Dup13-15(VVR) | | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, PHOSPHATE ION, SODIUM ION | | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M. | | Deposit date: | 2016-04-08 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VC8
 | | Crystal structure of the WHSC1 PWWP1 domain | | Descriptor: | DNA (5'-D(P*CP*TP*(DN))-3'), Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ... | | Authors: | Qin, S, Tempel, W, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-03-31 | | Release date: | 2017-06-28 | | Last modified: | 2021-08-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Histone and DNA binding ability studies of the NSD subfamily of PWWP domains.
Biochem.Biophys.Res.Commun., 569, 2021
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3ZW1
 | | Structure of Bambl lectine in complex with lewix x antigen | | Descriptor: | BAMBL LECTIN, alpha-D-galactopyranose, alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Audfray, A, Claudinon, J, Abounit, S, Ruvoen-Clouet, N, Larson, G, Wimmerova, M, Lependu, J, Romer, W, Varrot, A, Imberty, A. | | Deposit date: | 2011-07-28 | | Release date: | 2011-11-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Deciphering the Glycan Preference of Bacterial Lectins by Glycan Array and Molecular Docking with Validation by Microcalorimetry and Crystallography.
Plos One, 8, 2013
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4BBX
 | | Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia | | Descriptor: | 4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | | Authors: | Bartolome-Nebreda, J.M, Conde-Ceide, S, Delgado, F, Martin, M.L, Martinez-Viturro, C.M, Pastor, J, Tong, H.M, Iturrino, L, Macdonald, G.J, Sanderson, W, Megens, A, Langlois, X, Somers, M, Vanhoof, G. | | Deposit date: | 2012-09-28 | | Release date: | 2013-10-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of a Potent, Selective and Orally Active Pde10A Inhibitor for the Potential Treatment of Schizophrenia.
J.Med.Chem., 57, 2014
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5H5Q
 | | Crystal structure of human GPX4 in complex with GXpep-1 | | Descriptor: | GLYCEROL, GXpep-1, Phospholipid hydroperoxide glutathione peroxidase, ... | | Authors: | Sogabe, S, Kadotani, A, Lane, W, Snell, G. | | Deposit date: | 2016-11-09 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
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5H7H
 | | Crystal structure of the BCL6 BTB domain in complex with F1324(10-13) | | Descriptor: | 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, F1324 peptide residues 10-13 | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2016-11-18 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of high-affinity BCL6-binding peptide and its structure-activity relationship.
Biochem. Biophys. Res. Commun., 482, 2017
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4ASD
 | | Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with SORAFENIB (BAY 43-9006) | | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | | Authors: | McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A. | | Deposit date: | 2012-04-30 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
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5VKI
 | | Crystal structure of P[19] rotavirus VP8* complexed with mucin core 2 | | Descriptor: | GLYCEROL, Outer capsid protein VP4, SULFATE ION, ... | | Authors: | Xu, S, Liu, Y, Woodruff, A, Zhong, W, Jiang, X, Kennedy, M.A. | | Deposit date: | 2017-04-21 | | Release date: | 2017-11-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis of glycan specificity of P[19] VP8*: Implications for rotavirus zoonosis and evolution.
PLoS Pathog., 13, 2017
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5VKS
 | | Crystal structure of P[19] rotavirus VP8* complexed with LNFPI | | Descriptor: | GLYCEROL, Outer capsid protein VP4, SULFATE ION, ... | | Authors: | Xu, S, Liu, Y, Woodruff, A, Zhong, W, Jiang, X, Kennedy, M.A. | | Deposit date: | 2017-04-22 | | Release date: | 2017-11-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural basis of glycan specificity of P[19] VP8*: Implications for rotavirus zoonosis and evolution.
PLoS Pathog., 13, 2017
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4ABN
 | | Crystal structure of full length mouse Strap (TTC5) | | Descriptor: | 1,2-ETHANEDIOL, TETRATRICOPEPTIDE REPEAT PROTEIN 5 | | Authors: | Pike, A.C.W, Bullock, A.N, Kleinekofort, W, Zimmermann, T, Burgess-Brown, N, Sharpe, T.D, Thangaratnarajah, C, Keates, T, Ugochukwu, E, Bunkoczi, G, Uppenberg, J, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, La Thangue, N.B, Knapp, S. | | Deposit date: | 2011-12-09 | | Release date: | 2012-01-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The P53 Cofactor Strap Exhibits an Unexpected Tpr Motif and Oligonucleotide-Binding (Ob)-Fold Structure.
Proc.Natl.Acad.Sci.USA, 109, 2012
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5G2H
 | | S. enterica HisA with mutation L169R | | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, SODIUM ION, ... | | Authors: | Newton, M, Guo, X, Soderholm, A, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M. | | Deposit date: | 2016-04-08 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4ASE
 | | CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH TIVOZANIB (AV-951) | | Descriptor: | TIVOZANIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | | Authors: | McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A. | | Deposit date: | 2012-04-30 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
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5DNF
 | | Crystal structure of CC chemokine 5 (CCL5) oligomer in complex with heparin | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, C-C motif chemokine 5, ... | | Authors: | Liang, W.G, Tang, W. | | Deposit date: | 2015-09-10 | | Release date: | 2016-04-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.549 Å) | | Cite: | Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5DYL
 | | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - Apo form | | Descriptor: | cGMP-dependent protein kinase, putative | | Authors: | Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-09-24 | | Release date: | 2015-11-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5H9V
 | | Crystal structure of Regnase PIN domain, form I | | Descriptor: | Ribonuclease ZC3H12A, SODIUM ION | | Authors: | Yokogawa, M, Tsushima, T, Adachi, W, Noda, N.N, Inagaki, F. | | Deposit date: | 2015-12-29 | | Release date: | 2016-03-16 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural basis for the regulation of enzymatic activity of Regnase-1 by domain-domain interactions
Sci Rep, 6, 2016
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5H7G
 | | Crystal structure of the BCL6 BTB domain in complex with F1324 | | Descriptor: | B-cell lymphoma 6 protein, F1324 peptide, SULFATE ION | | Authors: | Sogabe, S, Ida, K, Lane, W, Snell, G. | | Deposit date: | 2016-11-18 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of high-affinity BCL6-binding peptide and its structure-activity relationship.
Biochem. Biophys. Res. Commun., 482, 2017
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5H5R
 | | Crystal structure of human GPX4 in complex with GXpep-2 | | Descriptor: | GLYCEROL, GXpep-2, Phospholipid hydroperoxide glutathione peroxidase, ... | | Authors: | Sogabe, S, Kadotani, A, Lane, W, Snell, G. | | Deposit date: | 2016-11-09 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
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5H5S
 | | Crystal structure of human GPX4 in complex with GXpep-3 | | Descriptor: | GLYCEROL, GXpep-3, Phospholipid hydroperoxide glutathione peroxidase, ... | | Authors: | Sogabe, S, Kadotani, A, Lane, W, Snell, G. | | Deposit date: | 2016-11-09 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
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3F9V
 | | Crystal Structure Of A Near Full-Length Archaeal MCM: Functional Insights For An AAA+ Hexameric Helicase | | Descriptor: | Minichromosome maintenance protein MCM | | Authors: | Chen, X.J, Brewster, A.S, Wang, G.G, Yu, X, Greenleaf, W, Tjajadi, M, Klein, M. | | Deposit date: | 2008-11-14 | | Release date: | 2008-12-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (4.35 Å) | | Cite: | Crystal structure of a near-full-length archaeal MCM: Functional insights for an AAA+ hexameric helicase.
Proc.Natl.Acad.Sci.USA, 105, 2008
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5HKQ
 | | Crystal structure of CDI complex from Escherichia coli STEC_O31 | | Descriptor: | CdiI immunity protein, Contact-dependent inhibitor A | | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI) | | Deposit date: | 2016-01-14 | | Release date: | 2017-01-18 | | Last modified: | 2020-03-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional plasticity of antibacterial EndoU toxins.
Mol.Microbiol., 109, 2018
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5TMK
 | | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor | | Descriptor: | 1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-5-phenyl-1H-pyrrole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-10-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor
To be published
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5TMG
 | | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-10-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor
To be published
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5H9W
 | | Crystal structure of Regnase PIN domain, form II | | Descriptor: | Ribonuclease ZC3H12A, SODIUM ION | | Authors: | Yokogawa, M, Tsushima, T, Adachi, W, Noda, N.N, Inagaki, F. | | Deposit date: | 2015-12-29 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for the regulation of enzymatic activity of Regnase-1 by domain-domain interactions
Sci Rep, 6, 2016
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