5MNI
 
 | | Escherichia coli AGPase mutant R130A apo form | | 分子名称: | Glucose-1-phosphate adenylyltransferase | | 著者 | Cifuente, J.O, Comino, N, Marina, A, Orrantia, A, Eguskiza, A, Guerin, M.E. | | 登録日 | 2016-12-13 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | | 主引用文献 | Mechanistic insights into the allosteric regulation of bacterial ADP-glucose pyrophosphorylases.
J. Biol. Chem., 292, 2017
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5MDL
 | | Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its O2-derivatized form by a "soak-and-freeze" derivatization method | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE3-S4 CLUSTER, ... | | 著者 | Kalms, J, Schmidt, A, Scheerer, P. | | 登録日 | 2016-11-11 | | 公開日 | 2018-02-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6SS9
 | | Human Leukocyte Antigen Class I A02 Carrying LLWNGPMHV | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Rizkallah, P.J, Bovay, A. | | 登録日 | 2019-09-06 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening.
Mol.Immunol., 125, 2020
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5MTV
 | | Active structure of EHD4 complexed with ATP-gamma-S | | 分子名称: | EH domain-containing protein 4, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | 著者 | Melo, A.A, Daumke, O. | | 登録日 | 2017-01-10 | | 公開日 | 2017-03-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Structural insights into the activation mechanism of dynamin-like EHD ATPases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3C2I
 | | The Crystal Structure of Methyl-CpG Binding Domain of Human MeCP2 in Complex with a Methylated DNA Sequence from BDNF | | 分子名称: | DNA (5'-D(*DAP*DTP*DAP*DGP*DAP*DAP*DGP*DAP*DAP*DTP*DTP*DCP*(5CM)P*DGP*DTP*DTP*DCP*DCP*DAP*DG)-3'), DNA (5'-D(*DTP*DCP*DTP*DGP*DGP*DAP*DAP*(5CM)P*DGP*DGP*DAP*DAP*DTP*DTP*DCP*DTP*DTP*DCP*DTP*DA)-3'), Methyl-CpG-binding protein 2 | | 著者 | Ho, K.L, McNae, I.W, Schmiedeberg, L, Klose, R.J, Bird, A.P, Walkinshaw, M.D. | | 登録日 | 2008-01-25 | | 公開日 | 2008-05-13 | | 最終更新日 | 2021-11-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | MeCP2 binding to DNA depends upon hydration at methyl-CpG
Mol.Cell, 29, 2008
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5K2M
 | | Bifunctional LysX/ArgX from Thermococcus kodakarensis with LysW-gamma-AAA | | 分子名称: | 2-AMINOHEXANEDIOIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Yoshida, A, Tomita, T, Nishiyama, M. | | 登録日 | 2016-05-19 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Lysine Biosynthesis of Thermococcus kodakarensis with the Capacity to Function as an Ornithine Biosynthetic System.
J. Biol. Chem., 291, 2016
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8TNS
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6SZ5
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5MNC
 | | Cationic trypsin in complex with aniline (deuterated sample at 100 K) | | 分子名称: | ANILINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Schiebel, J, Heine, A, Klebe, G. | | 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 (0.916 Å) | | 主引用文献 | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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6N4A
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6FQU
 | | Crystal structure of CREBBP bromodomain complexd with DR09 | | 分子名称: | 1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone, CREB-binding protein | | 著者 | Zhu, J, Caflisch, A. | | 登録日 | 2018-02-14 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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6PLJ
 | | A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | | 著者 | Carbone, V, Schofield, L, Sutherland-Smith, A, Ronimus, R. | | 登録日 | 2019-07-01 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528)
To Be Published
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5C83
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21 | | 分子名称: | (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | 登録日 | 2015-06-25 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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6CHL
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | | 分子名称: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-22 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6CHQ
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with 2-benzyl-N-(3-chloro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | 分子名称: | 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-22 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6PDI
 | | Human PIM1 bound to benzothiophene inhibitor 224 | | 分子名称: | 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, GLYCEROL, ... | | 著者 | Godoi, P.H.C, Fala, A.M, Santiago, A.S, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | 登録日 | 2019-06-19 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Human PIM1
To Be Published
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7T26
 | | Structure of phage FBB1 anti-CBASS nuclease Acb1 in apo state | | 分子名称: | Acb1 | | 著者 | Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J. | | 登録日 | 2021-12-03 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
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8TS5
 | | Structure of the apo FabS1C_C1 | | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | 著者 | Singer, A.U, Bruce, H.A, Blazer, L.L, Adams, J.J, Sicheri, F, Sidhu, S.S. | | 登録日 | 2023-08-10 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
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7SYA
 | | Kinetically trapped Pseudomonas-phage PaP3 portal protein - Full Length | | 分子名称: | Portal protein | | 著者 | Hou, C.F.D, Swanson, N.A, Li, F, Yang, R, Lokareddy, R.K, Cingolani, G. | | 登録日 | 2021-11-24 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Cryo-EM Structure of a Kinetically Trapped Dodecameric Portal Protein from the Pseudomonas-phage PaP3.
J.Mol.Biol., 434, 2022
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6SI1
 | | p53 cancer mutant Y220H | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellular tumor antigen p53, ... | | 著者 | Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-08-08 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020
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5JON
 | | Crystal structure of the unliganded form of HCN2 CNBD | | 分子名称: | Maltose-binding periplasmic protein,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2, NITRATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Klenchin, V.A, Chanda, B. | | 登録日 | 2016-05-02 | | 公開日 | 2016-11-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.042 Å) | | 主引用文献 | Structure and dynamics underlying elementary ligand binding events in human pacemaking channels.
Elife, 5, 2016
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5JRG
 | | Crystal structure of the nucleosome containing the DNA with tetrahydrofuran (THF) | | 分子名称: | CHLORIDE ION, DNA (145-MER), Histone H2A type 1-B/E, ... | | 著者 | Osakabe, A, Arimura, Y, Horikoshi, N, Kurumizaka, H. | | 登録日 | 2016-05-06 | | 公開日 | 2017-03-08 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Polymorphism of apyrimidinic DNA structures in the nucleosome
Sci Rep, 7, 2017
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7SWR
 | | Crystal structure of the chromoprotein gfasPurple | | 分子名称: | CHLORIDE ION, Chromoprotein gfasPurple | | 著者 | Caputo, A.T, Newman, J, Peat, T.S, Scott, C, Ahmed, H. | | 登録日 | 2021-11-21 | | 公開日 | 2022-04-20 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.388 Å) | | 主引用文献 | Over the rainbow: structural characterization of the chromoproteins gfasPurple, amilCP, spisPink and eforRed.
Acta Crystallogr D Struct Biol, 78, 2022
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8TRT
 | | Structure of the EphA2 CRD bound to FabS1CE_C1, monoclinic form | | 分子名称: | CHLORIDE ION, Ephrin type-A receptor 2, S1CE variant of Fab C1 heavy chain, ... | | 著者 | Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | | 登録日 | 2023-08-10 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
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6SX2
 | | dsRNA recognition by R38AK41A mutant of H7N1 NS1 RNA Binding Domain | | 分子名称: | 1,2-ETHANEDIOL, Non-structural protein 1, RNA (5'-R(*GP*GP*UP*AP*AP*CP*UP*GP*UP*UP*AP*CP*AP*GP*UP*UP*AP*CP*C)-3') | | 著者 | Coste, F, Wacquiez, A, Marc, D, Castaing, B. | | 登録日 | 2019-09-24 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1.
Viruses, 12, 2020
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