8Y1J
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4JDA
| Complex structure of abscisic acid receptor PYL3 with (-)-ABA | Descriptor: | (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3 | Authors: | Zhang, X, Wang, G, Chen, Z. | Deposit date: | 2013-02-24 | Release date: | 2013-07-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural Insights into the Abscisic Acid Stereospecificity by the ABA Receptors PYR/PYL/RCAR Plos One, 8, 2013
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4XXB
| Crystal structure of human MDM2-RPL11 | Descriptor: | 60S ribosomal protein L11, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2, ... | Authors: | Zheng, J, Chen, Z. | Deposit date: | 2015-01-30 | Release date: | 2015-08-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of human MDM2 complexed with RPL11 reveals the molecular basis of p53 activation Genes Dev., 29, 2015
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3R1B
| Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene | Descriptor: | (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | Authors: | Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R. | Deposit date: | 2011-03-09 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity. Biochemistry, 50, 2011
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3R1A
| Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene | Descriptor: | (4-tert-butylphenyl)acetaldehyde, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R. | Deposit date: | 2011-03-09 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity. Biochemistry, 50, 2011
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4Y4R
| Crystal structure of ribosomal oxygenase NO66 dimer mutant | Descriptor: | ACETATE ION, Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, NICKEL (II) ION | Authors: | Wang, C, Hang, T, Zang, J. | Deposit date: | 2015-02-11 | Release date: | 2015-10-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8. Acta Crystallogr.,Sect.D, 71, 2015
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5DDU
| Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PMP | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CrmG, GLYCEROL, ... | Authors: | Xu, J, Feng, Z, Liu, J. | Deposit date: | 2015-08-25 | Release date: | 2016-08-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis Acs Chem.Biol., 11, 2016
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5DDS
| Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PLP | Descriptor: | ACETIC ACID, CrmG, GLYCEROL, ... | Authors: | Xu, J, Feng, Z, Liu, J. | Deposit date: | 2015-08-25 | Release date: | 2016-08-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis Acs Chem.Biol., 11, 2016
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5DDW
| Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with the PMP external aldimine adduct with Caerulomycin M | Descriptor: | CrmG, GLYCEROL, [5-hydroxy-4-({(E)-[(4-hydroxy-2,2'-bipyridin-6-yl)methylidene]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate | Authors: | Xu, J, Feng, Z, Liu, J. | Deposit date: | 2015-08-25 | Release date: | 2016-08-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis Acs Chem.Biol., 11, 2016
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4ZHU
| Crystal structure of a bacterial repressor protein | Descriptor: | SULFATE ION, YfiR | Authors: | Li, S, Li, T, Wang, Y, Bartlam, M. | Deposit date: | 2015-04-27 | Release date: | 2016-04-27 | Method: | X-RAY DIFFRACTION (2.3968 Å) | Cite: | Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1 Sci Rep, 5, 2015
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4ZHW
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5ULA
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4ZHY
| Crystal structure of a bacterial signalling complex | Descriptor: | FORMIC ACID, SULFATE ION, YfiB, ... | Authors: | Li, S, Li, T, Wang, Y, Bartlam, M. | Deposit date: | 2015-04-27 | Release date: | 2016-04-27 | Method: | X-RAY DIFFRACTION (1.969 Å) | Cite: | Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1 Sci Rep, 5, 2015
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4ZHV
| Crystal structure of a bacterial signalling protein | Descriptor: | SULFATE ION, YfiB | Authors: | Li, S, Li, T, Wang, Y, Bartlam, M. | Deposit date: | 2015-04-27 | Release date: | 2016-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.585 Å) | Cite: | Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1 Sci Rep, 5, 2015
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4NNG
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4NNH
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4NNI
| Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide | Descriptor: | 30S ribosomal protein S1, PYRAZINE-2-CARBOXYLIC ACID | Authors: | Yang, J, Liu, Y, Cai, Q, Lin, D. | Deposit date: | 2013-11-18 | Release date: | 2014-12-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide. Mol.Microbiol., 95, 2015
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4NNK
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6DUV
| Crystal structure of the second bromodomain of human BRD4 in complex with MS417 inhibitor | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | Authors: | Babault, N, Zhou, M.M. | Deposit date: | 2018-06-22 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of Bound Water Molecules in Differential Recognition of Di-Acetylated Histone Peptides by the BRD4 Bromodomains To be published
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7SI9
| Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332 | 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 | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-10-12 | Release date: | 2021-10-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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4RAY
| Crystal structure of Magnetospirillum gryphiswaldense MSR-1 Apo-Fur | Descriptor: | CITRATE ANION, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), SULFATE ION | Authors: | Deng, Z, Liu, Z, Chen, Z. | Deposit date: | 2014-09-12 | Release date: | 2015-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator. Nat Commun, 6
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4RB3
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4RB0
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7TDU
| Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-03 | Release date: | 2022-03-02 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TEH
| Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-05 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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