7LV9
 
 | | Marseillevirus heterotrimeric (hexameric) nucleosome | | Descriptor: | DNA (96-MER), Histone doublet Beta-Alpha (Alpha), Histone doublet Beta-Alpha (Beta), ... | | Authors: | Valencia-Sanchez, M.I, Abini-Agbomson, S, Armache, K.-J. | | Deposit date: | 2021-02-24 | | Release date: | 2021-05-05 | | Last modified: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | The structure of a virus-encoded nucleosome.
Nat.Struct.Mol.Biol., 28, 2021
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7LV8
 | | Structure of the Marseillevirus nucleosome | | Descriptor: | DNA (123-MER), Histone doublet Beta-Alpha (Alpha), Histone doublet Beta-Alpha (Beta), ... | | Authors: | Valencia-Sanchez, M.I, Abini-Agbomson, S, Armache, K.-J. | | Deposit date: | 2021-02-24 | | Release date: | 2021-05-05 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The structure of a virus-encoded nucleosome.
Nat.Struct.Mol.Biol., 28, 2021
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6BKZ
 | | Novel Modes of Inhibition of Wild-Type IDH1: Non-equivalent Allosteric Inhibition with Cmpd3 | | Descriptor: | (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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6BL1
 | | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13 | | Descriptor: | (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ... | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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7D4B
 | | Crystal structure of 4-1BB in complex with a VHH | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Wang, C. | | Deposit date: | 2020-09-23 | | Release date: | 2021-07-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Generation of a safe and efficacious llama single-domain antibody fragment (vHH) targeting the membrane-proximal region of 4-1BB for engineering therapeutic bispecific antibodies for cancer.
J Immunother Cancer, 9, 2021
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7CZD
 | | Crystal structure of PD-L1 in complex with a VHH | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Programmed cell death 1 ligand 1, ... | | Authors: | Wang, C. | | Deposit date: | 2020-09-08 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Generation of a safe and efficacious llama single-domain antibody fragment (vHH) targeting the membrane-proximal region of 4-1BB for engineering therapeutic bispecific antibodies for cancer.
J Immunother Cancer, 9, 2021
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7WOI
 | | Structure of the shaft pilin Spa2 from Corynebacterium glutamicum | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Spa2 | | Authors: | Wu, Y.F, Wang, L.T, Huang, Y.Y, Zhong, C, Zhou, J. | | Deposit date: | 2022-01-21 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Accelerating the design of pili-enabled living materials using an integrative technological workflow.
Nat.Chem.Biol., 2023
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7WQV
 | | Crystal structure of a neutralizing monoclonal antibody (Ab08) in complex with SARS-CoV-2 receptor-binding domain (RBD) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab08, ... | | Authors: | Zha, J, Meng, L, Zhang, X, Li, D. | | Deposit date: | 2022-01-26 | | Release date: | 2023-01-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Spike-destructing human antibody effectively neutralizes Omicron-included SARS-CoV-2 variants with therapeutic efficacy.
Plos Pathog., 19, 2023
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3K2X
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7DBF
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7DC9
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7DCA
 | | The structure of the Arabidopsis thaliana guanosine deaminase bound by xanthosine | | Descriptor: | 2,3-dihydroxanthosine, Guanosine deaminase, ZINC ION | | Authors: | Xie, W, Jia, Q, Zeng, H. | | Deposit date: | 2020-10-23 | | Release date: | 2021-09-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The C-terminal loop of Arabidopsis thaliana guanosine deaminase is essential to catalysis.
Chem.Commun.(Camb.), 57, 2021
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6GJ8
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852 | | Descriptor: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | | Deposit date: | 2018-05-16 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7X7T
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with three nAbs X01, X10 and X17 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ... | | Authors: | Sun, H, Liu, L, Zheng, Q, Li, S, Zhang, T, Xia, N. | | Deposit date: | 2022-03-10 | | Release date: | 2022-08-17 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7X7U
 | | Cryo-EM structure of SARS-CoV-2 Delta variant spike protein in complex with three nAbs X01, X10 and X17 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ... | | Authors: | Sun, H, Liu, L, Zhang, T, Zheng, Q, Li, S, Xia, N. | | Deposit date: | 2022-03-10 | | Release date: | 2022-08-17 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7XC3
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7X7V
 | | Cryo-EM structure of SARS-CoV spike protein in complex with three nAbs X01, X10 and X17 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ... | | Authors: | Sun, H, Liu, L, Zhang, T, Zheng, Q, Li, S, Xia, N. | | Deposit date: | 2022-03-10 | | Release date: | 2022-08-17 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.83 Å) | | Cite: | The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7XC4
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M) in complex with Oxaprozin | | Descriptor: | 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid, Papain-like protease nsp3 | | Authors: | Li, J, Liu, Y, Gao, J, Ruan, K. | | Deposit date: | 2022-03-22 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.
J.Med.Chem., 65, 2022
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3K14
 | | Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 535, ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2009-09-25 | | Release date: | 2009-10-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
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7YC9
 | | Co-crystal structure of BTK kinase domain with inhibitor | | Descriptor: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | | Authors: | Zhou, X. | | Deposit date: | 2022-07-01 | | Release date: | 2023-05-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
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7DCB
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7DCW
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7DGW
 | | De novo designed protein H4A2S | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, de novo designed protein H4A2S | | Authors: | Xu, Y, Liao, S, Chen, Q, Liu, H. | | Deposit date: | 2020-11-12 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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7DGU
 | | De novo designed protein H4A1R | | Descriptor: | de novo designed protein H4A1R | | Authors: | Xu, Y, Liao, S, Chen, Q, Liu, H. | | Deposit date: | 2020-11-12 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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6MGL
 | | Crystal structure of the catalytic domain from GH74 enzyme PoGH74 from Paenibacillus odorifer, D60A mutant in complex with XXLG and XGXXLG xyloglucan | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Stogios, P.J, Skarina, T, Arnal, G, Watanabe, N, Brumer, H, Savchenko, A. | | Deposit date: | 2018-09-14 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural enzymology reveals the molecular basis of substrate regiospecificity and processivity of an exemplar bacterial glycoside hydrolase family 74endo-xyloglucanase.
Biochem. J., 475, 2018
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