8G8Y
 
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6NR5
 | | Human LSD1 in complex with Phenelzine sulfate | | Descriptor: | Lysine-specific histone demethylase 1A, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R)-5-[(4aR)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | | Authors: | Tan, A.H.Y, Tu, W, McCuaig, R, Donovan, T, Tsimbalyuk, S, Forwood, J.K, Rao, S. | | Deposit date: | 2019-01-22 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Lysine-Specific Histone Demethylase 1A Regulates Macrophage Polarization and Checkpoint Molecules in the Tumor Microenvironment of Triple-Negative Breast Cancer.
Front Immunol, 10, 2019
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8G2I
 | | Crystal Structure of PRMT4 with Compound YD1290 | | Descriptor: | 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION | | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-03 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
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6O07
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6O24
 | | Crystal structure of 4498 Fab in complex with circumsporozoite protein NANP3 and anti-Kappa VHH domain | | Descriptor: | 1,2-ETHANEDIOL, 4498 Fab heavy chain, 4498 Kappa light chain, ... | | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | | Deposit date: | 2019-02-22 | | Release date: | 2020-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
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6NLP
 | | The crystal structure of an ABC transporter periplasmic binding protein YdcS from Escherichia coli BW25113 | | Descriptor: | 1,2-ETHANEDIOL, Bacterial extracellular solute-binding family protein, IMIDAZOLE | | Authors: | Tan, K, SKarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-01-08 | | Release date: | 2019-01-23 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of an ABC transporter periplasmic binding protein YdcS from Escherichia coli BW25113
To Be Published
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6NP7
 | | Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20) | | Descriptor: | Bromodomain factor 2 protein | | Authors: | Lin, Y.H, Dong, A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Harding, R.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-01-17 | | Release date: | 2019-02-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20)
to be published
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6NKF
 | | Crystal Structure of the Lipase Lip_vut4 from Goat Rumen metagenome. | | Descriptor: | 1,2-ETHANEDIOL, 2-BUTANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kim, Y, Welk, L, Mukendi, G, Nkhi, G, Motloi, T, Jedrzejczak, R, Feto, N, Joachimiak, A. | | Deposit date: | 2019-01-07 | | Release date: | 2020-01-22 | | Method: | X-RAY DIFFRACTION (2.232 Å) | | Cite: | Crystal Structure of the Lipase Lip_vut4 from Goat Rumen metagenome.
To Be Published
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6NRC
 | | hTRiC-hPFD Class3 | | Descriptor: | Prefoldin subunit 1, Prefoldin subunit 2, Prefoldin subunit 3, ... | | Authors: | Gestaut, D, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J. | | Deposit date: | 2019-01-23 | | Release date: | 2019-06-19 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (8.3 Å) | | Cite: | The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis.
Cell, 177, 2019
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6NQU
 | | Human LSD1 in complex with GSK2879552 | | Descriptor: | Lysine-specific histone demethylase 1A, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[(9~{S},11~{R})-15,16-dimethyl-11-oxidanyl-5,7-bis(oxidanylidene)-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | Authors: | Tan, A.H.Y, Tu, W, McCuaig, R, Donovan, T, Tsimbalyuk, S, Forwood, J.K, Rao, S. | | Deposit date: | 2019-01-21 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Lysine-Specific Histone Demethylase 1A Regulates Macrophage Polarization and Checkpoint Molecules in the Tumor Microenvironment of Triple-Negative Breast Cancer.
Front Immunol, 10, 2019
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6NR9
 | | hTRiC-hPFD Class5 | | Descriptor: | Prefoldin subunit 1, Prefoldin subunit 2, Prefoldin subunit 3, ... | | Authors: | Gestaut, D, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J. | | Deposit date: | 2019-01-23 | | Release date: | 2019-06-19 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (8.5 Å) | | Cite: | The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis.
Cell, 177, 2019
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6O0Z
 | | Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, non-target strand DNA, single guide RNA, ... | | Authors: | Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S. | | Deposit date: | 2019-02-17 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9.
Nat.Struct.Mol.Biol., 26, 2019
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6X9Y
 | | The crystal structure of a Beta-lactamase from Escherichia coli CFT073 | | Descriptor: | Beta-lactamase, GLYCEROL, S,R MESO-TARTARIC ACID, ... | | Authors: | Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-06-03 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of a Beta-lactamase from Escherichia coli CFT073
To Be Published
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6O2T
 | | Acetylated Microtubules | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | | Deposit date: | 2019-02-24 | | Release date: | 2019-05-22 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Effects of alpha-tubulin acetylation on microtubule structure and stability.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8GIX
 | | Chaetomium thermophilum Hir3 | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, Histone transcription regulator 3 homolog | | Authors: | Szurgot, M.R, van Eeuwen, T, Kim, H.J, Marmorstein, R. | | Deposit date: | 2023-03-14 | | Release date: | 2024-07-10 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the Hir histone chaperone complex.
Mol.Cell, 84, 2024
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6XNB
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4JB3
 | | Crystal structure of BT_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop | | Descriptor: | GLYCEROL, Haloacid dehalogenase-like hydrolase, SODIUM ION | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Kumar, P.R, Ghosh, A, Al Obaidi, N.F, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-02-19 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of bt_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop
To be Published
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8GXF
 | | Pseudomonas flexibilis GCN5 family acetyltransferase | | Descriptor: | COENZYME A, GCN5 family acetyltransferase | | Authors: | Song, Y.J, Bao, R. | | Deposit date: | 2022-09-20 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | The novel type II toxin-antitoxin PacTA modulates Pseudomonas aeruginosa iron homeostasis by obstructing the DNA-binding activity of Fur.
Nucleic Acids Res., 50, 2022
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8GXJ
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6O28
 | | Crystal structure of 4493 Fab in complex with circumsporozoite protein KQPA and anti-kappa VHH domain | | Descriptor: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | | Deposit date: | 2019-02-22 | | Release date: | 2020-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
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8GXK
 | | Pseudomonas jinjuensis N-acetyltransferase | | Descriptor: | COENZYME A, Protein N-acetyltransferase, RimJ/RimL family | | Authors: | Song, Y.J, Bao, R. | | Deposit date: | 2022-09-20 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The novel type II toxin-antitoxin PacTA modulates Pseudomonas aeruginosa iron homeostasis by obstructing the DNA-binding activity of Fur.
Nucleic Acids Res., 50, 2022
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6XIS
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6O2S
 | | Deacetylated Microtubules | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | | Deposit date: | 2019-02-24 | | Release date: | 2019-05-22 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Effects of alpha-tubulin acetylation on microtubule structure and stability.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8E7Y
 | | RsTSPO A138F with two heme bound | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan-rich sensory protein | | Authors: | Liu, J, Hiser, C, Li, F, Garavito, R, Ferguson-Miller, S. | | Deposit date: | 2022-08-25 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | New TSPO Crystal Structures of Mutant and Heme-Bound Forms with Altered Flexibility, Ligand Binding, and Porphyrin Degradation Activity.
Biochemistry, 62, 2023
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6NW2
 | | Structure of human RIPK1 kinase domain in complex with compound 11 | | Descriptor: | (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2019-02-05 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and selective inhibitors of receptor-interacting protein kinase 1 that lack an aromatic back pocket group.
Bioorg.Med.Chem.Lett., 29, 2019
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