5OSY
 
 | | Human Decapping Scavenger enzyme (hDcpS) in complex with m7G(5'S)ppSp(5'S)G mRNA 5' cap analog | | Descriptor: | GLYCEROL, [(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl]oxy-phosphinic acid, m7GpppX diphosphatase | | Authors: | Warminski, M, Nowak, E, Wojtczak, B.A, Fac-Dabrowska, K, Kubacka, D, Nowicka, A, Sikorski, P.J, Kowalska, J, Jemielity, J, Nowotny, M. | | Deposit date: | 2017-08-18 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | 5'-Phosphorothiolate Dinucleotide Cap Analogues: Reagents for Messenger RNA Modification and Potent Small-Molecular Inhibitors of Decapping Enzymes.
J. Am. Chem. Soc., 140, 2018
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8T5I
 | | Crystal structure of human WDR5 in complex with MR4397 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide, ... | | Authors: | Kimani, S, Dong, A, Li, F, Loppnau, P, Ackloo, S, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-13 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human WDR5 in complex with MR4397
To be published
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6V56
 | | The crystal structure of the 2009 H1N1 PA endonuclease wild type in complex with SJ000985494 | | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein, ... | | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | | Deposit date: | 2019-12-03 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000985494
To Be Published
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8T9N
 | | Bacillus subtilis RsgI GGG mutant | | Descriptor: | Anti-sigma-I factor RsgI | | Authors: | Brogan, A.P, Habib, C, Hobbs, S.J, Kranzusch, P.J, Rudner, D.Z. | | Deposit date: | 2023-06-24 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bacterial SEAL domains undergo autoproteolysis and function in regulated intramembrane proteolysis.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5WOL
 | | Crystal structure of dihydrodipicolinate reductase DapB from Coxiella burnetii | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 4-hydroxy-tetrahydrodipicolinate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyenko, O, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-08-02 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of dihydrodipicolinate reductase DapB from Coxiella burnetii
To Be Published
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2GFO
 | | Structure of the Catalytic Domain of Human Ubiquitin Carboxyl-terminal Hydrolase 8 | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Finerty Jr, P.J, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-03-22 | | Release date: | 2006-04-04 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Amino-terminal Dimerization, NRDP1-Rhodanese Interaction, and Inhibited Catalytic Domain Conformation of the Ubiquitin-specific Protease 8 (USP8).
J.Biol.Chem., 281, 2006
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5NQ0
 | | Porcine (Sus scrofa) Major Histocompatibility Complex, class I, presenting DFEREGYSL | | Descriptor: | 1,2-ETHANEDIOL, ASP-PHE-GLU-ARG-GLU-GLY-TYR-SER-LEU, Beta-2-microglobulin, ... | | Authors: | Rizkallah, P.J, Tungatt, K, Sewell, A.K. | | Deposit date: | 2017-04-19 | | Release date: | 2018-04-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig.
Plos Pathog., 14, 2018
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5NMG
 | | 868 TCR in complex with HLA A02 presenting SLYFNTIAVL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | Deposit date: | 2017-04-05 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Dual Molecular Mechanisms Govern Escape at Immunodominant HLA A2-Restricted HIV Epitope.
Front Immunol, 8, 2017
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5NQ3
 | | 'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting EFEDLTFLA | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLU-PHE-GLU-ASP-LEU-THR-PHE-LEU-ALA, ... | | Authors: | Rizkallah, P.J, Tungatt, K, Sewell, A.K. | | Deposit date: | 2017-04-19 | | Release date: | 2018-04-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig.
Plos Pathog., 14, 2018
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5WCF
 | | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | | Descriptor: | (5R)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Dong, A, Zeng, H, Hutch, A, Seitova, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-06-30 | | Release date: | 2017-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with MTLLE1441
to be published
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5XF3
 | | Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,R-configuration) | | Descriptor: | (1R,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ... | | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | | Deposit date: | 2017-04-07 | | Release date: | 2017-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
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5XF5
 | | Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,S-configuration) | | Descriptor: | (1S,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ... | | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | | Deposit date: | 2017-04-07 | | Release date: | 2017-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
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8T55
 | | Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-12 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
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2F53
 | | Directed Evolution of Human T-cell Receptor CDR2 residues by phage display dramatically enhances affinity for cognate peptide-MHC without apparent cross-reactivity | | Descriptor: | Beta-2-microglobulin, Cancer/testis antigen 1B, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Jakobsen, B.K, Dunn, S.M, Sami, M. | | Deposit date: | 2005-11-25 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Directed evolution of human T cell receptor CDR2 residues by phage display dramatically enhances affinity for cognate peptide-MHC without increasing apparent cross-reactivity.
Protein Sci., 15, 2006
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5VGB
 | | Crystal structure of NmeCas9 HNH domain bound to anti-CRISPR AcrIIC1 | | Descriptor: | Anti-CRISPR protein (AcrIIC1), CRISPR-associated endonuclease Cas9, GLYCEROL, ... | | Authors: | Harrington, L.B, Doxzen, K.W, Ma, E, Knott, G.J, Kranzusch, P.J, Doudna, J.A. | | Deposit date: | 2017-04-10 | | Release date: | 2017-08-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.497 Å) | | Cite: | A Broad-Spectrum Inhibitor of CRISPR-Cas9.
Cell, 170, 2017
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2GC1
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5VFX
 | | Structure of an accessory protein of the pCW3 relaxosome in complex with the origin of transfer (oriT) DNA | | Descriptor: | TcpK, oriT | | Authors: | Traore, D.A.K, Wisniewski, J.A, Flanigan, S.F, Conroy, P.J, Panjikar, S, Mok, Y.-F, Lao, C, Griffin, M.D.W, Adams, V, Rood, J.I, Whisstock, J.C. | | Deposit date: | 2017-04-10 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Crystal structure of TcpK in complex with oriT DNA of the antibiotic resistance plasmid pCW3.
Nat Commun, 9, 2018
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8V2Z
 | | Cryo-EM Structure of Smooth Muscle Gamma Actin (ACTG2) Mutant R257C | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, gamma-enteric smooth muscle, ... | | Authors: | Palmer, N.J, Carman, P.J, Ceron, R.H, Dominguez, R. | | Deposit date: | 2023-11-25 | | Release date: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Smooth Muscle Gamma Actin (ACTG2) Filament Mutant R257C
To Be Published
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2FZP
 | | Crystal structure of the USP8 interaction domain of human NRDP1 | | Descriptor: | ring finger protein 41 isoform 1 | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-02-10 | | Release date: | 2006-03-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Amino-terminal Dimerization, NRDP1-Rhodanese Interaction, and Inhibited Catalytic Domain Conformation of the Ubiquitin-specific Protease 8 (USP8).
J.Biol.Chem., 281, 2006
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5V9I
 | | Crystal structure of catalytic domain of G9a with MS0105 | | Descriptor: | GLYCEROL, Histone-lysine N-methyltransferase EHMT2, N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine, ... | | Authors: | Dong, A, Zeng, H, Liu, J, Xiong, Y, Babault, N, Jin, J, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Wu, H, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-03-23 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structure of catalytic domain of G9a with MS0105
to be published
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5UWK
 | | Matrix metalloproteinase-13 complexed with selective inhibitor compound (S)-10a | | Descriptor: | (S)-3-methyl-2-(4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-ylsulfonamido)butanoic acid, CALCIUM ION, Collagenase 3, ... | | Authors: | Taylor, A.B, Cao, X, Hart, P.J. | | Deposit date: | 2017-02-21 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors.
J. Med. Chem., 60, 2017
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5UXA
 | | Crystal structure of macrolide 2'-phosphotransferase MphB from Escherichia coli | | Descriptor: | CALCIUM ION, Macrolide 2'-phosphotransferase II | | Authors: | Stogios, P.J, Evdokimova, E, Egorova, O, Di Leo, R, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-02-22 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The evolution of substrate discrimination in macrolide antibiotic resistance enzymes.
Nat Commun, 9, 2018
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8SMD
 | | Structure of Clostridium botulinum prophage Tad1 in complex with 1''-3' gcADPR | | Descriptor: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, ABC transporter ATPase | | Authors: | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | Deposit date: | 2023-04-26 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
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8SMG
 | | Structure of SPO1 phage Tad2 in complex with 1''-2' gcADPR | | Descriptor: | (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, Gp34.65 | | Authors: | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | Deposit date: | 2023-04-26 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
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8SM3
 | | Structure of Bacillus cereus VD045 Gabija GajA-GajB Complex | | Descriptor: | Endonuclease GajA, Gabija protein GajB, SULFATE ION | | Authors: | Antine, S.P, Mooney, S.E, Johnson, A.G, Kranzusch, P.J. | | Deposit date: | 2023-04-25 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of Gabija anti-phage defence and viral immune evasion.
Nature, 625, 2024
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