6OR4
 
 | | Crystal structure of SpGH29 | | Descriptor: | Glycoside hydrolase, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Pluvinage, B, Boraston, A.B. | | Deposit date: | 2019-04-29 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens.
J.Biol.Chem., 294, 2019
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6OWP
 | | Horse liver F93W alcohol dehydrogenase complexed with NAD and trifluoroethanol | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | | Authors: | Plapp, B.V. | | Deposit date: | 2019-05-10 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Substitutions of Amino Acid Residues in the Substrate Binding Site of Horse Liver Alcohol Dehydrogenase Have Small Effects on the Structures but Significantly Affect Catalysis of Hydrogen Transfer.
Biochemistry, 59, 2020
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9EUS
 | | Mpro from SARS-CoV-2 with R298A mutation | | Descriptor: | GLYCEROL, Replicase polyprotein 1a | | Authors: | Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. | | Deposit date: | 2024-03-28 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
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9EPM
 | | Mpro from SARS-CoV-2 with 4A mutation | | Descriptor: | Non-structural protein 11 | | Authors: | Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. | | Deposit date: | 2024-03-19 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
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9CEL
 | | Juvenimicin Thioesterase | | Descriptor: | Type I PKS module 7 | | Authors: | Akey, D.L, Smith, J.S, Choudhary, V. | | Deposit date: | 2024-06-26 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Substrate Trapping in Polyketide Synthase Thioesterase Domains: Structural Basis for Macrolactone Formation
Acs Catalysis, 14, 2024
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8ZB6
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9BKB
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9EWM
 | | Mpro from SARS-CoV-2 with R4Q R298Q double mutations | | Descriptor: | Non-structural protein 11 | | Authors: | Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
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8XE5
 | | norbelladine 4'-O-methyltransferase complexed with Mg, SAH, and 3,4-dihydroxybenzaldehyde | | Descriptor: | GLYCEROL, MAGNESIUM ION, Norbelladine 4'-O-methyltransferase, ... | | Authors: | Saw, Y.Y.H, Nakashima, Y, Morita, H. | | Deposit date: | 2023-12-11 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases
Acs Catalysis, 2024
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8Y3M
 | | Cryo-EM structure of DSR2-DSAD1 complex (cross-linked) | | Descriptor: | DSR anti-defence 1, SIR2-like domain-containing protein | | Authors: | Wang, R.W, Xu, Q, Wu, Z.X, Li, J.L, Shi, Z.B, Li, F.X. | | Deposit date: | 2024-01-29 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | The structural basis of the activation and inhibition of DSR2 NADase by phage proteins.
Nat Commun, 15, 2024
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9FCG
 | | Medicago truncatula 5'-ProFAR isomerase (HISN3) D57N mutant in complex with PrFAR | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, chloroplastic, ... | | Authors: | Witek, W, Imiolczyk, B, Ruszkowski, M. | | Deposit date: | 2024-05-15 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural, kinetic, and evolutionary peculiarities of HISN3, a plant 5'-ProFAR isomerase.
Plant Physiol Biochem., 215, 2024
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9BK2
 | | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (S-enantiomer, monoclinic P form) | | Descriptor: | (2S)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, DIMETHYL SULFOXIDE, L-lactate dehydrogenase A chain, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H. | | Deposit date: | 2024-04-26 | | Release date: | 2024-07-10 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer.
Eur.J.Med.Chem., 275, 2024
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4V0V
 | | The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-660) | | Descriptor: | MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT, ... | | Authors: | Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J. | | Deposit date: | 2014-09-18 | | Release date: | 2015-03-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
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8YP3
 | | Crystal structure of UDP-N-acetylglucosamine pyrophosphorylase from Spodoptera frugiperda in complex with UDP-GlcNAc | | Descriptor: | MAGNESIUM ION, SULFATE ION, UDP-N-acetylglucosamine diphosphorylase, ... | | Authors: | Lu, Q, Liu, T, Zhou, Y, Yang, Q. | | Deposit date: | 2024-03-15 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure and Inhibition of Insect UDP- N -acetylglucosamine Pyrophosphorylase: A Key Enzyme in the Hexosamine Biosynthesis Pathway.
J.Agric.Food Chem., 72, 2024
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9B8E
 | | Structure of S-nitrosylated Legionella pneumophila Ceg10. | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Tomchick, D.R, Heisler, D.B, Alto, N.M. | | Deposit date: | 2024-03-29 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Exploiting bacterial effector proteins to uncover evolutionarily conserved antiviral host machinery.
Plos Pathog., 20, 2024
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9FGO
 | | Crystal structure of Enterovirus 71 2A protease mutant C110A containing VP1-2A junction in the active site | | Descriptor: | CHLORIDE ION, Polyprotein, ZINC ION | | Authors: | Ni, X, Koekemoer, L, Williams, E.P, Wang, S, Wright, N.D, Godoy, A.S, Aschenbrenner, J.C, Balcomb, B.H, Lithgo, R.M, Marples, P.G, Fairhead, M, Thompson, W, Kirkegaard, K, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-05-24 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystal structure of Enterovirus 71 2A protease mutant C110A containing VP1-2A junction in the active site
To Be Published
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8XVA
 | | Human TOM complex with whole Tom20 | | Descriptor: | Mitochondrial import receptor subunit TOM20 homolog, Mitochondrial import receptor subunit TOM22 homolog, Mitochondrial import receptor subunit TOM40 homolog, ... | | Authors: | Tian, X.Y, Su, J.Y, Sui, S.F. | | Deposit date: | 2024-01-14 | | Release date: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (5.92 Å) | | Cite: | Structure of the intact Tom20 receptor in the human translocase of the outer membrane complex.
Pnas Nexus, 3, 2024
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8ZC9
 | | The Cryo-EM structure of DSR2-Tail tube-NAD+ complex | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SIR2-like domain-containing protein, tail tube protein | | Authors: | Wang, R, Xu, Q, Wu, Z, Li, J, Yang, R, Shi, Z, Li, F. | | Deposit date: | 2024-04-29 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | The structural basis of the activation and inhibition of DSR2 NADase by phage proteins.
Nat Commun, 15, 2024
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9AVQ
 | | Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor Nirmatrelvir | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | | Authors: | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | | Deposit date: | 2024-03-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors
To Be Published
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8ZUL
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8m | | Descriptor: | 2-azanyl-5-[2-[(3~{R})-3-azanylpyrrolidin-1-yl]pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | | Authors: | Zhang, Z.M, Zhou, Z.Q. | | Deposit date: | 2024-06-09 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.80026162 Å) | | Cite: | Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer.
J.Med.Chem., 67, 2024
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9AXA
 | | CryoEM structure of activated CRAF/MEK/14-3-3 complex with NST-628 | | Descriptor: | 14-3-3 protein sigma, Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, ... | | Authors: | Quade, B, Cohen, S.E, Huang, X. | | Deposit date: | 2024-03-06 | | Release date: | 2024-04-17 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.36 Å) | | Cite: | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
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4UVC
 | | LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine | | Descriptor: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | Authors: | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | Deposit date: | 2014-08-05 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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8ZYD
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8Y13
 | | Cryo-EM structure of anti-phage defense associated DSR2 tetramer (H171A) | | Descriptor: | SIR2-like domain-containing protein | | Authors: | Li, F.X, Shi, Z.B, Wang, R.W, Xu, Q, Yang, R, Wu, Z.X. | | Deposit date: | 2024-01-23 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | The structural basis of the activation and inhibition of DSR2 NADase by phage proteins.
Nat Commun, 15, 2024
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4URW
 | | The crystal structure of H-Ras and SOS in complex with ligands | | Descriptor: | 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | | Deposit date: | 2014-07-02 | | Release date: | 2015-03-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
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