5W5Q
 
 | | MAP4K4 in complex with inhibitor compound 12 (N3-methyl-10-(3-methyl-3-(5-methyloxazol-2-yl)but-1-yn-1-yl)-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2,3-dicarboxamide) | | Descriptor: | (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase kinase 4 | | Authors: | Harris, S.F, Wu, P. | | Deposit date: | 2017-06-15 | | Release date: | 2018-06-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
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5W5V
 | | TBK1 co-crystal structure with amlexanox | | Descriptor: | 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | | Authors: | Beyett, T.S, Tesmer, J.J.G. | | Deposit date: | 2017-06-15 | | Release date: | 2018-06-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.645 Å) | | Cite: | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition.
Mol. Pharmacol., 94, 2018
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1W0O
 | | Vibrio cholerae sialidase | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Moustafa, I, Connaris, H, Taylor, M, Zaitsev, V, Wilson, J.C, Kiefel, M.J, von-Itzstein, M, Taylor, G. | | Deposit date: | 2004-06-09 | | Release date: | 2004-07-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Sialic Acid Recognition by Vibrio Cholerae Neuraminidase
J.Biol.Chem., 279, 2004
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5VNX
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5WEJ
 | | 1.95 A resolution structure of Norovirus 3CL protease in complex with a dipeptidyl oxazolidinone-based inhibitor | | Descriptor: | (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide, Genome polyprotein | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Rathnayake, A.D, Nguyen, H.N, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-07-10 | | Release date: | 2017-12-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-guided design, synthesis and evaluation of oxazolidinone-based inhibitors of norovirus 3CL protease.
Eur J Med Chem, 143, 2017
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1W6K
 | | Structure of human OSC in complex with Lanosterol | | Descriptor: | LANOSTEROL, LANOSTEROL SYNTHASE, octyl beta-D-glucopyranoside | | Authors: | Thoma, R, Schulz-Gasch, T, D'Arcy, B, Benz, J, Aebi, J, Dehmlow, H, Hennig, M, Ruf, A. | | Deposit date: | 2004-08-19 | | Release date: | 2004-10-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Insight Into Steroid Scaffold Formation from the Structure of Human Oxidosqualene Cyclase
Nature, 432, 2004
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5WBH
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5W7P
 | | Crystal structure of OxaC | | Descriptor: | OxaC, S-ADENOSYLMETHIONINE | | Authors: | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | | Deposit date: | 2017-06-20 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway.
Org. Biomol. Chem., 16, 2018
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5W7Z
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5W89
 | | Crystal structure of human Mcl-1 in complex with modified Bim BH3 peptide SAH-MS1-18 | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, modified Bim BH3 peptide SAH-MS1-18 | | Authors: | Rezaei Araghi, R, Jenson, J.M, Grant, R.A, Keating, A.E. | | Deposit date: | 2017-06-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5W8J
 | | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 | | Descriptor: | 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Lukacs, C.M, Moulin, A. | | Deposit date: | 2017-06-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
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3VGM
 | | Crystal structure of a ROK family glucokinase from Streptomyces griseus in complex with glucose | | Descriptor: | Glucokinase, POTASSIUM ION, ZINC ION, ... | | Authors: | Miyazono, K, Tabei, N, Morita, S, Ohnishi, Y, Horinouchi, S, Tanokura, M. | | Deposit date: | 2011-08-15 | | Release date: | 2011-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Substrate recognition mechanism and substrate-dependent conformational changes of an ROK family glucokinase from Streptomyces griseus
J.Bacteriol., 194, 2012
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5WDM
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5W9Q
 | | Zinc finger region of MBD1 in complex with CpG DNA | | Descriptor: | Methyl-CpG-binding domain protein 1, UNKNOWN ATOM OR ION, ZINC ION, ... | | Authors: | Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-06-23 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
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5WA2
 | | Crystal structure of Toxoplasma gondii SAG3 (SRS57) | | Descriptor: | GLYCEROL, Surface antigen | | Authors: | Parker, M.L, Boulanger, M.J. | | Deposit date: | 2017-06-24 | | Release date: | 2018-06-27 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | A Toxoplasma lectin-specific activity for sulfated proteoglycans thought to promote infection competency is not dependent on TgSRS57 (TgSAG3)
To be published
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5WGG
 | | Structural Insights into Thioether Bond Formation in the Biosynthesis of Sactipeptides | | Descriptor: | CALCIUM ION, CteA, IRON/SULFUR CLUSTER, ... | | Authors: | Grove, T.L, Himes, P, Bowers, A, Bonanno, J.B, Almo, S.C. | | Deposit date: | 2017-07-14 | | Release date: | 2017-07-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.036 Å) | | Cite: | Structural Insights into Thioether Bond Formation in the Biosynthesis of Sactipeptides.
J. Am. Chem. Soc., 139, 2017
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5WBL
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5WH8
 | | Cellulase Cel5C_n | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PENTAETHYLENE GLYCOL, ... | | Authors: | Koropatkin, N.M, Pope, P.B, Naas, A.E. | | Deposit date: | 2017-07-15 | | Release date: | 2018-03-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | "Candidatus Paraporphyromonas polyenzymogenes" encodes multi-modular cellulases linked to the type IX secretion system.
Microbiome, 6, 2018
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5W8F
 | | Crystal structure of human Mcl-1 in complex with modified Bim BH3 peptide SAH-MS1-14 | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, modified Bim BH3 peptide SAH-MS1-14 | | Authors: | Rezaei Araghi, R, Jenson, J.M, Grant, R.A, Keating, A.E. | | Deposit date: | 2017-06-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5W8K
 | | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | | Authors: | Lukacs, C.M, Dranow, D.M. | | Deposit date: | 2017-06-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
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1W6R
 | | Complex of TcAChE with galanthamine derivative | | Descriptor: | (-)-GALANTHAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Greenblatt, H.M, Guillou, C, Guenard, D, Badet, B, Thal, C, Silman, I, Sussman, J.L. | | Deposit date: | 2004-08-23 | | Release date: | 2004-11-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design.
J.Am.Chem.Soc., 126, 2004
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1W75
 | | Native Orthorhombic form of Torpedo californica acetylcholinesterase (AChE) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | | Authors: | Greenblatt, H.M, Botti, S, Argaman, A, Silman, I, Sussman, J.L. | | Deposit date: | 2004-08-29 | | Release date: | 2004-11-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design.
J.Am.Chem.Soc., 126, 2004
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5WAM
 | | Structure of BamE from Neisseria gonorrhoeae | | Descriptor: | Outer membrane protein assembly factor BamE, ZINC ION | | Authors: | Korotkov, K.V, Buchanan, S.K, Noinaj, N. | | Deposit date: | 2017-06-26 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural and functional insights into the role of BamD and BamE within the beta-barrel assembly machinery in Neisseria gonorrhoeae.
J. Biol. Chem., 293, 2018
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5WHZ
 | | PGDM1400-10E8v4 CODV Fab | | Descriptor: | Anti-HIV CODV-Fab Heavy chain, Anti-HIV CODV-Fab Light chain | | Authors: | Lord, D.M, Wei, R.R. | | Deposit date: | 2017-07-18 | | Release date: | 2017-10-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.549 Å) | | Cite: | Trispecific broadly neutralizing HIV antibodies mediate potent SHIV protection in macaques.
Science, 358, 2017
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5WIA
 | | Crystal structure of the segment, GNNSYS, from the low complexity domain of TDP-43, residues 370-375 | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Guenther, E.L, Trinh, H, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2017-07-18 | | Release date: | 2018-04-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.002 Å) | | Cite: | Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
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