5M6F
 
 | | Small Molecule inhibitors of IAP | | 分子名称: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | | 著者 | Williams, P.A. | | 登録日 | 2016-10-25 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
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5WC2
 | | Crystal Structure of ADP-bound human TRIP13 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Pachytene checkpoint protein 2 homolog | | 著者 | Jeong, B.-C, Luo, X. | | 登録日 | 2017-06-29 | | 公開日 | 2018-04-25 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Mechanistic insight into TRIP13-catalyzed Mad2 structural transition and spindle checkpoint silencing.
Nat Commun, 8, 2017
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5MVL
 | | Crystal structure of an A-DNA dodecamer containing 5-bromouracil | | 分子名称: | Brominated DNA dodecamer, MAGNESIUM ION | | 著者 | Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. | | 登録日 | 2017-01-16 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.405 Å) | | 主引用文献 | 5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017
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5WL3
 | | Crystal structure of chalcone isomerase engineered from ancestral inference (ancR2) | | 分子名称: | CHLORIDE ION, Engineered Chalcone Isomerase ancR2 | | 著者 | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | | 登録日 | 2017-07-25 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
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5M6H
 | | Small Molecule inhibitors of IAP | | 分子名称: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | | 著者 | Williams, P.A. | | 登録日 | 2016-10-25 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
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5WKS
 | | Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancR1) | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Engineered Chalcone Isomerase ancR1, FORMIC ACID, ... | | 著者 | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | | 登録日 | 2017-07-25 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
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5WL5
 | | Crystal structure of chalcone isomerase engineered from ancestral inference (ancR5) | | 分子名称: | CHLORIDE ION, Engineered Chalcone Isomerase ancR5, SULFATE ION | | 著者 | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | | 登録日 | 2017-07-25 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.513 Å) | | 主引用文献 | Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
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6I03
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5WL7
 | | Crystal structure of chalcone isomerase engineered from ancestral inference (ancCHI*) | | 分子名称: | CHLORIDE ION, Engineered Chalcone Isomerase ancCHI* | | 著者 | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | | 登録日 | 2017-07-25 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
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6H8R
 | | CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND 2 | | 分子名称: | 3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | 著者 | Hoerer, S, Fiegen, D, Schnapp, G. | | 登録日 | 2018-08-03 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.
J. Med. Chem., 62, 2019
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6H9V
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6HDF
 | | D170N variant of beta-phosphoglucomutase from Lactococcus lactis in an open conformer to 1.4 A. | | 分子名称: | 1,2-ETHANEDIOL, Beta-phosphoglucomutase, SODIUM ION | | 著者 | Wood, H.P, Robertson, A.J, Bisson, C, Waltho, J.P. | | 登録日 | 2018-08-17 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published
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6HDH
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5NMS
 | | Hsp21 dodecamer, structural model based on cryo-EM and homology modelling | | 分子名称: | 25.3 kDa heat shock protein, chloroplastic | | 著者 | Rutsdottir, G, Harmark, J, Koeck, P.J.B, Hebert, H, Soderberg, C.A.G, Emanuelsson, C. | | 登録日 | 2017-04-07 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (10 Å) | | 主引用文献 | Structural model of dodecameric heat-shock protein Hsp21: Flexible N-terminal arms interact with client proteins while C-terminal tails maintain the dodecamer and chaperone activity.
J. Biol. Chem., 292, 2017
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6HFT
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6I4X
 | | Crystal structure of SOCS2:Elongin C:Elongin B in complex with erythropoietin receptor peptide | | 分子名称: | DI(HYDROXYETHYL)ETHER, Elongin-B, Elongin-C, ... | | 著者 | Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A. | | 登録日 | 2018-11-12 | | 公開日 | 2019-05-29 | | 最終更新日 | 2019-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase.
Nat Commun, 10, 2019
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6IDO
 | | Crystal structure of Klebsiella pneumoniae sigma4 of sigmaS fusing with the RNA polymerase beta-flap-tip-helix in complex with -35 element DNA | | 分子名称: | DNA (5'-D(P*CP*CP*AP*CP*TP*TP*GP*AP*CP*AP*AP*AP*TP*CP*G)-3'), DNA (5'-D(P*GP*AP*TP*TP*TP*GP*TP*CP*AP*AP*GP*TP*GP*GP*C)-3'), RNA polymerase sigma factor RpoS,RNA polymerase beta-flap-tip-helix | | 著者 | Lou, Y.C, Chien, C.Y, Chen, C, Hsu, C.H. | | 登録日 | 2018-09-10 | | 公開日 | 2019-09-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.748 Å) | | 主引用文献 | Structural basis for -35 element recognition by sigma4chimera proteins and their interactions with PmrA response regulator.
Proteins, 88, 2020
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5LSY
 | | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | | 分子名称: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | | 著者 | Tisi, D, Pathuri, P, Heightman, T. | | 登録日 | 2016-09-05 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
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5WX9
 | | Crystal Structure of AtERF96 with GCC-box | | 分子名称: | Ethylene-responsive transcription factor ERF096, GCC-box motif | | 著者 | Chen, C.Y, Cheng, Y.S. | | 登録日 | 2017-01-06 | | 公開日 | 2017-11-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Structural insights into Arabidopsis ethylene response factor 96 with an extended N-terminal binding to GCC box.
Plant Mol.Biol., 104, 2020
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5LT6
 | | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | | 分子名称: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | | 著者 | Tisi, D, Pathuri, P, Heightman, T. | | 登録日 | 2016-09-06 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
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5YXM
 | | Crystal structure of Chlamydomonas Outer Arm Dynein Light Chain 1 | | 分子名称: | Dynein light chain 1, axonemal, PHOSPHATE ION | | 著者 | Toda, A, Tanaka, H, Nishikawa, Y, Yagi, T, Kurisu, G. | | 登録日 | 2017-12-06 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.545 Å) | | 主引用文献 | Structural atlas of dynein motors at atomic resolution.
Biophys Rev, 10, 2018
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6I3C
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5N2D
 | | Structure of PD-L1/small-molecule inhibitor complex | | 分子名称: | Programmed cell death 1 ligand 1, ~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide | | 著者 | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | | 登録日 | 2017-02-07 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1.
J. Med. Chem., 60, 2017
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5LSS
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6I1A
 | | Crystal structure of rutinosidase from Aspergillus niger | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, rutinosidase | | 著者 | Pachl, P, Rezacova, P, Kapesova, J. | | 登録日 | 2018-10-28 | | 公開日 | 2020-01-29 | | 最終更新日 | 2020-08-12 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Rutinosidase from Aspergillus niger: crystal structure and insight into the enzymatic activity.
Febs J., 287, 2020
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