5MO7
 
 | | Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound | | 分子名称: | 3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide, Casein kinase II subunit alpha, PHOSPHATE ION | | 著者 | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2016-12-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
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5FJ1
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7SIH
 | | Crystal Structure of HLA B*3503 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I | | 分子名称: | Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ... | | 著者 | Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M. | | 登録日 | 2021-10-14 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Molecular insights into the HLA-B35 molecules' classification associated with HIV control.
Immunol.Cell.Biol., 102, 2024
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8CR0
 | | Crystal structure of human carbonic anhydrase II in complex with a triazolyl benzoxaborole inhibitor | | 分子名称: | 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Alterio, V, De Simone, G, Esposito, D. | | 登録日 | 2023-03-07 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | 6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography.
J.Med.Chem., 66, 2023
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6MUT
 | | Cryo-EM structure of ternary Csm-crRNA-target RNA with anti-tag sequence complex in type III-A CRISPR-Cas system | | 分子名称: | RNA (5'-R(*GP*UP*GP*GP*AP*AP*AP*GP*GP*CP*GP*GP*GP*CP*AP*GP*AP*GP*GP*C)-3'), RNA (5'-R(P*CP*CP*UP*CP*UP*GP*CP*CP*CP*GP*CP*CP*UP*UP*UP*CP*CP*AP*C)-3'), Uncharacterized protein Csm1, ... | | 著者 | Jia, N, Wang, C, Eng, E.T, Patel, D.J. | | 登録日 | 2018-10-23 | | 公開日 | 2018-12-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Type III-A CRISPR-Cas Csm Complexes: Assembly, Periodic RNA Cleavage, DNase Activity Regulation, and Autoimmunity.
Mol. Cell, 73, 2019
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5MK1
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7SIG
 | | Crystal Structure of HLA B*3501 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I | | 分子名称: | Beta-2-microglobulin, CITRATE ANION, MHC class I antigen, ... | | 著者 | Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M. | | 登録日 | 2021-10-14 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.741 Å) | | 主引用文献 | Molecular insights into the HLA-B35 molecules' classification associated with HIV control.
Immunol.Cell.Biol., 102, 2024
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6RRJ
 | | GOLGI ALPHA-MANNOSIDASE II in complex with 5-(Adamantan-1yl-methoxy)-pentyl 2,5-dideoxy-2,5-imino-D-talo-hexonamide | | 分子名称: | (2~{S},3~{R},4~{S},5~{R})-~{N}-[5-(1-adamantylmethoxy)pentyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ... | | 著者 | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2019-05-20 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
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7SIF
 | | Crystal Structure of HLA B*3505 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, ... | | 著者 | Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M. | | 登録日 | 2021-10-14 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Molecular insights into the HLA-B35 molecules' classification associated with HIV control.
Immunol.Cell.Biol., 102, 2024
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5MLY
 | | Closed loop conformation of PhaZ7 Y105E mutant | | 分子名称: | PHB depolymerase PhaZ7 | | 著者 | Kellici, T, Mavromoustakos, T, Jendrossek, D, Papageorgiou, A.C. | | 登録日 | 2016-12-08 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.598 Å) | | 主引用文献 | Crystal structure analysis, covalent docking, and molecular dynamics calculations reveal a conformational switch in PhaZ7 PHB depolymerase.
Proteins, 85, 2017
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6BES
 | | Solution structure of de novo macrocycle design11_ss | | 分子名称: | (DAL)Q(DPR)(DCY)(DLY)DS(DTY)(DCY)P(DSN) | | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | | 登録日 | 2017-10-25 | | 公開日 | 2017-12-27 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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6S07
 | | Structure of formylglycine-generating enzyme at 1.04 A in complex with copper and substrate reveals an acidic pocket for binding and acti-vation of molecular oxygen. | | 分子名称: | Abz-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY-ARG, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Leisinger, F, Miarzlou, D.A, Seebeck, F.P. | | 登録日 | 2019-06-14 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | Structure of formylglycine-generating enzyme in complex with copper and a substrate reveals an acidic pocket for binding and activation of molecular oxygen.
Chem Sci, 10, 2019
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6XRQ
 | | Structural descriptions of ligand interactions to DNA and RNA quadruplexes folded from the non-coding region of Pseudorabies virus | | 分子名称: | 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, POTASSIUM ION, RNA (5' GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A-3') | | 著者 | Zhang, Y.S, Parkinson, G.N, Wei, D.G. | | 登録日 | 2020-07-13 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Structural descriptions of ligand interactions to RNA quadruplexes folded from the non-coding region of Pseudorabies virus.
Biochimie, 2024
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8CPH
 | | Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 (inactive form) | | 分子名称: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma | | 著者 | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-03-02 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
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7NLC
 | | Crystallographic structure of human Tsg101 UEV domain in complex with a HEV ORF3 peptide | | 分子名称: | AMMONIUM ION, CHLORIDE ION, Protein ORF3, ... | | 著者 | Moschidi, D, Dupre, E, Villeret, V, Hanoulle, X. | | 登録日 | 2021-02-22 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.398 Å) | | 主引用文献 | Crystallographic structure of human Tsg101 UEV domain in complex with a HEV ORF3 peptide
To Be Published
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8CPI
 | | Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 | | 分子名称: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma | | 著者 | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-03-02 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
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8CPJ
 | | Crystal structure of PPAR gamma (PPARG) in an inactive form | | 分子名称: | 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma | | 著者 | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-03-02 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
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5KAJ
 | | Crystal structure of a dioxygenase in the Crotonase superfamily in P21, A319C mutant | | 分子名称: | (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | | 著者 | Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D. | | 登録日 | 2016-06-01 | | 公開日 | 2017-06-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.681 Å) | | 主引用文献 | Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.
Acta Crystallogr D Struct Biol, 73, 2017
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6F77
 | | Crystal structure of the prephenate aminotransferase from Rhizobium meliloti | | 分子名称: | Aspartate aminotransferase A, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Cobessi, D, Giustini, C, Graindorge, M, Matringe, M. | | 登録日 | 2017-12-07 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.794 Å) | | 主引用文献 | Tyrosine metabolism: identification of a key residue in the acquisition of prephenate aminotransferase activity by 1 beta aspartate aminotransferase.
Febs J., 286, 2019
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6UZO
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7NAZ
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8CAI
 | | Streptomycin and Hygromycin B bound to the 30S body | | 分子名称: | 16S rRNA, 30S ribosomal protein S16, 30S ribosomal protein S2, ... | | 著者 | Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N. | | 登録日 | 2023-01-24 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (2.08 Å) | | 主引用文献 | Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
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5CMN
 | | FLRT3 LRR domain in complex with LPHN3 Olfactomedin domain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Latrophilin-3, ... | | 著者 | Lu, Y, Salzman, G, Arac, D. | | 登録日 | 2015-07-17 | | 公開日 | 2015-08-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.605 Å) | | 主引用文献 | Structural Basis of Latrophilin-FLRT-UNC5 Interaction in Cell Adhesion.
Structure, 23, 2015
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8CAZ
 | | empty 30S head | | 分子名称: | 16S rRNA, 30S ribosomal protein S2, 30S ribosomal protein S7, ... | | 著者 | Paternoga, H, Beckert, B, Wilson, D.N. | | 登録日 | 2023-01-24 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | ELECTRON MICROSCOPY (2.11 Å) | | 主引用文献 | Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
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6B40
 | | BbRAGL-3'TIR synaptic complex with nicked DNA refined with C2 symmetry | | 分子名称: | 31TIR intact strand, 31TIR pre-nicked strand of flanking DNA, 31TIR pre-nicked strand of signal DNA, ... | | 著者 | Zhang, Y, Cheng, T.C, Xiong, Y, Schatz, D.G. | | 登録日 | 2017-09-25 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Transposon molecular domestication and the evolution of the RAG recombinase.
Nature, 569, 2019
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