6Q9Y
 
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6Q9S
 | | HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 14 AT 2.4A: Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-[[6-chloranyl-3-[3-[(1~{S})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid, Protein Mdm4, ... | | Authors: | Kallen, J. | | Deposit date: | 2018-12-18 | | Release date: | 2019-05-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
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6Q96
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8D4L
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | | Deposit date: | 2022-06-02 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
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8D4K
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant in Complex with Inhibitor GC376 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | | Deposit date: | 2022-06-02 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
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8D4M
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant in Complex with Inhibitor GC376 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | | Deposit date: | 2022-06-02 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
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5EDS
 | | Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5 | | Descriptor: | 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2015-10-21 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors.
J.Med.Chem., 59, 2016
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8DH4
 | | T7 RNA polymerase elongation complex with unnatural base dPa-DsTP pair | | Descriptor: | (7P)-3-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-7-(thiophen-2-yl)-3H-imidazo[4,5-b]pyridine, MAGNESIUM ION, Non-template strand DNA, ... | | Authors: | Oh, J, Wang, D. | | Deposit date: | 2022-06-24 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
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8DH3
 | | T7 RNA polymerase elongation complex with unnatural base dPa | | Descriptor: | Non-template strand DNA, RNA, T7 RNA polymerase, ... | | Authors: | Oh, J, Wang, D. | | Deposit date: | 2022-06-24 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
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8DH1
 | | T7 RNA polymerase elongation complex with unnatural base dDs-PaTP pair | | Descriptor: | 1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-1H-pyrrole-2-carbaldehyde, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Oh, J, Wang, D. | | Deposit date: | 2022-06-24 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
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8DH0
 | | T7 RNA polymerase elongation complex with unnatural base dDs | | Descriptor: | GLYCEROL, Non-template strand DNA, RNA, ... | | Authors: | Oh, J, Wang, D. | | Deposit date: | 2022-06-24 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
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8DH5
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8DH2
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8D4J
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant | | Descriptor: | 3C-like proteinase nsp5, GLYCEROL | | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | | Deposit date: | 2022-06-02 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
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8D4N
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166Q Mutant | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | | Deposit date: | 2022-06-02 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
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6VO1
 | | BG505 SOSIP.v5.2 in complex with rhesus macaque Fab RM20J | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Cottrell, C.A, Ward, A.B. | | Deposit date: | 2020-01-29 | | Release date: | 2020-07-01 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (3.88 Å) | | Cite: | Mapping the immunogenic landscape of near-native HIV-1 envelope trimers in non-human primates.
Plos Pathog., 16, 2020
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6VN0
 | | BG505 SOSIP.v4.1 in complex with rhesus macaque Fab RM20F | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | | Authors: | Cottrell, C.A, Shin, M, Ward, A.B. | | Deposit date: | 2020-01-29 | | Release date: | 2020-06-24 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (4.25 Å) | | Cite: | Mapping the immunogenic landscape of near-native HIV-1 envelope trimers in non-human primates.
Plos Pathog., 16, 2020
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6VLR
 | | BG505 SOSIP.v5.2 in complex with rhesus macaque Fab RM20E1 and PGT122 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIPv5.2 gp41, ... | | Authors: | Cottrell, C.A, Ward, A.B. | | Deposit date: | 2020-01-24 | | Release date: | 2020-06-24 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (4.42 Å) | | Cite: | Mapping the immunogenic landscape of near-native HIV-1 envelope trimers in non-human primates.
Plos Pathog., 16, 2020
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4Z2B
 | | The structure of human PDE12 residues 161-609 in complex with GSK3036342A | | Descriptor: | 1,2-ETHANEDIOL, 2',5'-phosphodiesterase 12, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Nolte, R.T, Wisely, B, Wang, L, Wood, E.R. | | Deposit date: | 2015-03-29 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
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5Z2I
 | | Structure of Dictyostelium discoideum mitochondrial calcium uniporter N-ternimal domain (Se-DdMCU-NTD) | | Descriptor: | Dictyostelium discoideum mitochondrial calcium uniporter | | Authors: | Yuan, Y, Wen, M, Chou, J, Li, D, Bo, O. | | Deposit date: | 2018-01-02 | | Release date: | 2019-01-02 | | Last modified: | 2020-07-15 | | Method: | X-RAY DIFFRACTION (2.141 Å) | | Cite: | Structural Characterization of the N-Terminal Domain of theDictyostelium discoideumMitochondrial Calcium Uniporter.
Acs Omega, 5, 2020
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6MAJ
 | | HBO1 is required for the maintenance of leukaemia stem cells | | Descriptor: | 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ... | | Authors: | Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I. | | Deposit date: | 2018-08-27 | | Release date: | 2019-12-25 | | Last modified: | 2020-01-22 | | Method: | X-RAY DIFFRACTION (2.139 Å) | | Cite: | HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
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6MAK
 | | HBO1 is required for the maintenance of leukaemia stem cells | | Descriptor: | ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ... | | Authors: | Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I. | | Deposit date: | 2018-08-27 | | Release date: | 2019-12-25 | | Last modified: | 2020-01-22 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
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7BOL
 | | ubiquitin-conjugating enzyme, Ube2D2 | | Descriptor: | Ubiquitin-conjugating enzyme E2 D2 | | Authors: | Lee, S.O, Ryu, K.S, Chi, S.-W. | | Deposit date: | 2020-03-19 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | MUL1-RING recruits the substrate, p53-TAD as a complex with UBE2D2-UB conjugate.
Febs J., 2022
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8F5K
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8F5L
 | | Azurin from Pseudomonas aeruginosa, Y72F/Y108F/F110L mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION | | Authors: | Zeug, M, Offenbacher, A.R, Choe, J. | | Deposit date: | 2022-11-14 | | Release date: | 2023-01-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Electrochemical and Structural Study of the Buried Tryptophan in Azurin: Effects of Hydration and Polarity on the Redox Potential of W48.
J.Phys.Chem.B, 127, 2023
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