5TN9
 
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S,L536S) in Complex with the OBHS-BSC, 4-bromophenyl (1R,2R,4S)-5-(4-hydroxyphenyl)-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | 分子名称: | 4-bromophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor | | 著者 | Nwachukwu, J.C, Sharma, N, Carlson, K.E, Srinivasan, S, Sharma, A, Katzenellenbogen, J.A, Nettles, K.W. | | 登録日 | 2016-10-13 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.253 Å) | | 主引用文献 | Exploring the Structural Compliancy versus Specificity of the Estrogen Receptor Using Isomeric Three-Dimensional Ligands.
ACS Chem. Biol., 12, 2017
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5CLW
 | | Crystal structure of human glycogen branching enzyme (GBE1) in complex with maltoheptaose | | 分子名称: | 1,4-alpha-glucan-branching enzyme, SODIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Krojer, T, Froese, D.S, Goubin, S, Strain-Damerell, C, Mahajan, P, Burgess-Brown, N, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W, Structural Genomics Consortium (SGC) | | 登録日 | 2015-07-16 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of human glycogen branching enzyme (GBE1) in complex with maltoheptaose
To be published
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5TO3
 | | Crystal structure of thrombin mutant W215A/E217A fused to EGF456 of thrombomodulin via a 31-residue linker and bound to PPACK | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | | 著者 | Barranco-Medina, S, Murphy, M, Pelc, L, Chen, Z, Di Cera, E, Pozzi, N. | | 登録日 | 2016-10-16 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Rational Design of Protein C Activators.
Sci Rep, 7, 2017
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7R79
 | | Histoplasma capsulatum H88 Calcium Binding Protein 1 (Cbp1) | | 分子名称: | Calcium-binding protein | | 著者 | Herrera, N, Azimova, D, Sil, A, Rosenberg, O.S. | | 登録日 | 2021-06-24 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Cbp1, a fungal virulence factor under positive selection, forms an effector complex that drives macrophage lysis.
Plos Pathog., 18, 2022
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7CAI
 | | SARS-CoV-2 S trimer with two RBDs in the open state and complexed with two H014 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H014 Fab, ... | | 著者 | Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X. | | 登録日 | 2020-06-08 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.49 Å) | | 主引用文献 | Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody.
Science, 369, 2020
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5CNO
 | | Crystal structure of the EGFR kinase domain mutant V924R | | 分子名称: | Epidermal growth factor receptor, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Kovacs, E, Das, R, Mirza, A, Jura, N, Barros, T, Kuriyan, J. | | 登録日 | 2015-07-17 | | 公開日 | 2015-07-29 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Analysis of the Role of the C-Terminal Tail in the Regulation of the Epidermal Growth Factor Receptor.
Mol.Cell.Biol., 35, 2015
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7R6U
 | | Paracoccidioides americana Pb03 Calcium Binding Protein 1 (Cbp1) | | 分子名称: | CBP domain-containing protein | | 著者 | Herrera, N, Azimova, D, Sil, A, Rosenberg, O.S. | | 登録日 | 2021-06-23 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Cbp1, a fungal virulence factor under positive selection, forms an effector complex that drives macrophage lysis.
Plos Pathog., 18, 2022
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5T90
 | | Structural mechanisms for alpha-conotoxin selectivity at the human alpha3beta4 nicotinic acetylcholine receptor | | 分子名称: | Acetylcholine-binding protein, LsIA | | 著者 | Abraham, N, Healy, M, Ragnarsson, L, Brust, A, Alewood, P, Lewis, R. | | 登録日 | 2016-09-08 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural mechanisms for alpha-conotoxin activity at the human alpha 3 beta 4 nicotinic acetylcholine receptor.
Sci Rep, 7, 2017
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5TFC
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with GTP | | 分子名称: | Cystic fibrosis transmembrane conductance regulator, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | 登録日 | 2016-09-24 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
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8A90
 | | Crystal structure of FrsH | | 分子名称: | ACETATE ION, FE (III) ION, GLYCEROL, ... | | 著者 | Schneberger, N, Wirtz, D.A, Cruesemann, M, Hagelueken, G. | | 登録日 | 2022-06-27 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.574 Å) | | 主引用文献 | Adenylation Domain-Guided Recruitment of Trans- Acting Nonheme Monooxygenases in Nonribosomal Peptide Biosynthesis.
Acs Chem.Biol., 18, 2023
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1CZ6
 | | SOLUTION STRUCTURE OF ANDROCTONIN | | 分子名称: | PROTEIN (ANDROCTONIN) | | 著者 | Mandard, N, Vovelle, F. | | 登録日 | 1999-09-01 | | 公開日 | 2000-01-12 | | 最終更新日 | 2022-02-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Androctonin, a novel antimicrobial peptide from scorpion Androctonus australis: solution structure and molecular dynamics simulations in the presence of a lipid monolayer.
J.Biomol.Struct.Dyn., 17, 1999
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5C1Q
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7R0N
 | | KRasG12C in complex with GDP and compound 2 | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Ostermann, N. | | 登録日 | 2022-02-02 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
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7CWO
 | | SARS-CoV-2 spike protein RBD and P17 fab complex | | 分子名称: | Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab | | 著者 | Wang, X, Wang, N. | | 登録日 | 2020-08-29 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
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7R0M
 | | KRasG12C in complex with GDP and JDQ443 | | 分子名称: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Ostermann, N. | | 登録日 | 2022-02-02 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.611 Å) | | 主引用文献 | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
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7R0Q
 | | KRasG12C in complex with GDP and compound 3 | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Ostermann, N. | | 登録日 | 2022-02-02 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.
Cancer Discov, 12, 2022
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5TG2
 | | 1.75 A resolution structure of Norovirus 3CL protease in complex with the a n-pentyl substituted macrocyclic inhibitor (17-mer) | | 分子名称: | (4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione, 3C-LIKE PROTEASE | | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Chang, K.-O, Groutas, W.C. | | 登録日 | 2016-09-27 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Design, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease.
Eur J Med Chem, 127, 2016
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5TH1
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5THF
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7QZQ
 | | Crystal structure of the kelch domain of human KBTBD12 | | 分子名称: | 1,2-ETHANEDIOL, Kelch repeat and BTB domain-containing protein 12, SODIUM ION | | 著者 | Manning, C.E, Chen, Z, Chen, X, Bradshaw, W.J, Bakshi, S, Mckinley, G, Chalk, R, Burgess-Brown, N, von Delft, F, Bullock, A.N. | | 登録日 | 2022-01-31 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Crystal structure of the kelch domain of human KBTBD12
To Be Published
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6P1I
 | | Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and dCTP | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA Primer 20-mer, DNA template 27-mer, ... | | 著者 | Bertoletti, N, Anderson, K.S. | | 登録日 | 2019-05-19 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
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7R5Z
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1I1S
 | | SOLUTION STRUCTURE OF THE TRANSCRIPTIONAL ACTIVATION DOMAIN OF THE BACTERIOPHAGE T4 PROTEIN MOTA | | 分子名称: | MOTA | | 著者 | Li, N, Zhang, W, White, S.W, Kriwacki, R.W. | | 登録日 | 2001-02-02 | | 公開日 | 2001-02-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the transcriptional activation domain of the bacteriophage T4 protein, MotA.
Biochemistry, 40, 2001
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7RMA
 | | Structure of the fourth UIM (Ubiquitin Interacting Motif) of ANKRD13D in complex with a high affinity UbV (Ubiquitin Variant) | | 分子名称: | Ankyrin repeat domain-containing protein 13D, SODIUM ION, SULFATE ION, ... | | 著者 | Singer, A.U, Manczyk, N, Veggiani, G, Sicheri, F, Sidhu, S.S. | | 登録日 | 2021-07-27 | | 公開日 | 2022-05-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Panel of Engineered Ubiquitin Variants Targeting the Family of Human Ubiquitin Interacting Motifs.
Acs Chem.Biol., 17, 2022
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5TFD
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with CTP | | 分子名称: | CYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | 登録日 | 2016-09-24 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.891 Å) | | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
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