6T1B
 
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6ST3
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 4-hydroxy-N-(4-phenoxybenzyl)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide | | 分子名称: | 4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide, Egl nine homolog 1, FORMIC ACID, ... | | 著者 | Chowdhury, R, Holt-Martyn, J.P, Schofield, C.J. | | 登録日 | 2019-09-10 | | 公開日 | 2019-12-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.426 Å) | | 主引用文献 | Structure-Activity Relationship and Crystallographic Studies on 4-Hydroxypyrimidine HIF Prolyl Hydroxylase Domain Inhibitors.
Chemmedchem, 15, 2020
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6T0Y
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7LX0
 | | Quantitative assessment of chlorophyll types in cryo-EM maps of photosystem I acclimated to far-red light | | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | 著者 | Gisriel, C.J, Wang, J. | | 登録日 | 2021-03-02 | | 公開日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | | 主引用文献 | Quantitative assessment of chlorophyll types in cryo-EM maps of photosystem I acclimated to far-red light
BBA Adv, 1, 2021
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1D7E
 | | CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN | | 分子名称: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | 著者 | Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | | 登録日 | 1999-10-17 | | 公開日 | 2000-03-31 | | 最終更新日 | 2018-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Conformational substates in different crystal forms of the photoactive yellow protein--correlation with theoretical and experimental flexibility.
Protein Sci., 9, 2000
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1E5Z
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1E67
 | | Zn-Azurin from Pseudomonas aeruginosa | | 分子名称: | AZURIN, NITRATE ION, ZINC ION | | 著者 | Nar, H, Messerschmidt, A. | | 登録日 | 2000-08-09 | | 公開日 | 2000-08-16 | | 最終更新日 | 2017-07-12 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Characterization and Crystal Structure of Zinc Azurin, a by-Product of Heterologous Expression in Escherichia Coli of Pseudomonas Aeruginosa Copper Azurin
Eur.J.Biochem., 205, 1992
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7W1S
 | | Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-007 | | 分子名称: | Nanobody Nb-007, Spike protein S1 | | 著者 | Yang, J, Lin, S, Sun, H.L, Lu, G.W. | | 登録日 | 2021-11-20 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | | 主引用文献 | A Potent Neutralizing Nanobody Targeting the Spike Receptor-Binding Domain of SARS-CoV-2 and the Structural Basis of Its Intimate Binding.
Front Immunol, 13, 2022
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6VUA
 | | X-ray structure of human CD38 catalytic domain with 2'-Cl-araNAD+ | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Dai, Z, Zhang, X.N, Nasertorabi, F, Han, G.W, Stevens, R.C, Zhang, Y. | | 登録日 | 2020-02-14 | | 公開日 | 2020-06-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Synthesis of site-specific antibody-drug conjugates by ADP-ribosyl cyclases.
Sci Adv, 6, 2020
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7C2J
 | | Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (without additional SAM during crystallization) | | 分子名称: | 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ... | | 著者 | Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W. | | 登録日 | 2020-05-07 | | 公開日 | 2020-05-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
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7C2I
 | | Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization) | | 分子名称: | 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ... | | 著者 | Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W. | | 登録日 | 2020-05-07 | | 公開日 | 2020-05-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
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7DIY
 | | Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-exoribonuclease domain | | 分子名称: | MAGNESIUM ION, ZINC ION, nsp10 protein, ... | | 著者 | Lin, S, Chen, H, Chen, Z.M, Yang, F.L, Ye, F, Zheng, Y, Yang, J, Lin, X, Sun, H.L, Wang, L.L, Wen, A, Cao, Y, Lu, G.W. | | 登録日 | 2020-11-19 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.693 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-ExoN domain reveals an exoribonuclease with both structural and functional integrity.
Nucleic Acids Res., 49, 2021
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7Y9N
 | | an engineered 5-helix bundle derived from SARS-CoV-2 S2 in complex with HR2P | | 分子名称: | SARS-coV-2 S2 subunit, Spike protein S2',5HB-H2 | | 著者 | Lu, G.W, Lin, X, Guo, L.Y, Lin, S. | | 登録日 | 2022-06-25 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.885 Å) | | 主引用文献 | An engineered 5-helix bundle derived from SARS-CoV-2 S2 pre-binds sarbecoviral spike at both serological- and endosomal-pH to inhibit virus entry.
Emerg Microbes Infect, 11, 2022
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7AY9
 | | Crystal structure of CK2 bound by compound 7 | | 分子名称: | 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | | 著者 | Ferguson, A, Collie, G.W. | | 登録日 | 2020-11-11 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Metadynamics simulations of CK2 compound unbinding to understand slow dissociation kinetics.
To Be Published
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7AYA
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7YTU
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7YTT
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7Y8O
 | | Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole | | 分子名称: | 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SciR | | 著者 | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | | 登録日 | 2022-06-24 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
to be published
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7EFR
 | | Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (T27W,N330Y) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | | 著者 | Lu, G.W, Ye, F, Lin, X. | | 登録日 | 2021-03-23 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.494 Å) | | 主引用文献 | S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis.
Signal Transduct Target Ther, 6, 2021
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7EFP
 | | Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (S19W,N330Y) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | | 著者 | Lu, G.W, Ye, F, Lin, X. | | 登録日 | 2021-03-22 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.698 Å) | | 主引用文献 | S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis.
Signal Transduct Target Ther, 6, 2021
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4RF3
 | | Crystal Structure of ketoreductase from Lactobacillus kefir, mutant A94F | | 分子名称: | GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase | | 著者 | Tang, Y, Tibrewal, N, Cascio, D. | | 登録日 | 2014-09-24 | | 公開日 | 2015-09-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.694 Å) | | 主引用文献 | Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4RF5
 | | Crystal structure of ketoreductase from Lactobacillus kefir, E145S mutant | | 分子名称: | GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase | | 著者 | Tang, Y, Tibrewal, N, Cascio, D. | | 登録日 | 2014-09-24 | | 公開日 | 2015-09-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.596 Å) | | 主引用文献 | Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6TOL
 | | Crystal structure of human BCL6 BTB domain in complex with compound 25a | | 分子名称: | 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, B-cell lymphoma 6 protein, ... | | 著者 | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2019-12-11 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
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6TOF
 | | Crystal structure of human BCL6 BTB domain in complex with compound 4 | | 分子名称: | 1,2-ETHANEDIOL, 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | 著者 | Shetty, K, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2019-12-11 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
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6TOK
 | | Crystal structure of human BCL6 BTB domain in complex with compound 23d | | 分子名称: | 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ... | | 著者 | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2019-12-11 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
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