7VRI
 
 | | crystal structure of BRD2-BD2 in complex with guanosine analog | | 分子名称: | 9-HYROXYETHOXYMETHYLGUANINE, Bromodomain-containing protein 2 | | 著者 | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | 登録日 | 2021-10-23 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VRZ
 | | crystal structure of BRD2-BD1 in complex with purine derivative | | 分子名称: | Bromodomain-containing protein 2, Doxofylline, SULFATE ION | | 著者 | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | 登録日 | 2021-10-25 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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5OBE
 | | X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-MBI), MBI=methyl-benzimidazole | | 分子名称: | PHOSPHATE ION, Ribonuclease pancreatic, pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium, ... | | 著者 | Pontillo, N, Ferraro, G, Merlino, A. | | 登録日 | 2017-06-26 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
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3Q0S
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5KZB
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3I4A
 | | Crystal structure of dimethylarginine dimethylaminohydrolase-1 (DDAH-1) in complex with N5-(1-iminopropyl)-L-ornithine | | 分子名称: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N5-(1-iminopropyl)-L-ornithine | | 著者 | Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Fast, W, Robertus, J.D. | | 登録日 | 2009-07-01 | | 公開日 | 2009-08-25 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | | 主引用文献 | Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide.
Biochemistry, 48, 2009
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5NU3
 | | Crystal structure of the human bromodomain of CREBBP bound to the inhibitor XDM-CBP | | 分子名称: | (R,R)-2,3-BUTANEDIOL, CREB-binding protein, SULFATE ION, ... | | 著者 | Huegle, M, Wohlwend, D. | | 登録日 | 2017-04-28 | | 公開日 | 2017-08-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
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6JTZ
 | | Crystal Structure of hRecQ1_D2-Zn-WH containing mutation on beta-hairpin | | 分子名称: | ATP-dependent DNA helicase Q1, ZINC ION | | 著者 | Das, T, Mukhopadhyay, S, Bose, M, Das, A.K, Ganguly, A. | | 登録日 | 2019-04-12 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.797 Å) | | 主引用文献 | Residues at the interface between zinc binding and winged helix domains of human RECQ1 play a significant role in DNA strand annealing activity.
Nucleic Acids Res., 2021
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6JZA
 | | Structure of Fstl1 | | 分子名称: | Follistatin-related protein 1 | | 著者 | Liu, X, Ning, W. | | 登録日 | 2019-04-30 | | 公開日 | 2019-08-21 | | 最終更新日 | 2019-09-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and functional study of FK domain of Fstl1.
Protein Sci., 28, 2019
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7WKH
 | | the grass carp IFNa | | 分子名称: | Interferon | | 著者 | Zou, J, WANG, J, Wang, Z. | | 登録日 | 2022-01-09 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Structural and Functional Analyses of Type I IFNa Shed Light Into Its Interaction With Multiple Receptors in Fish.
Front Immunol, 13, 2022
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5OEG
 | | Molecular tweezers modulate 14-3-3 protein-protein interactions | | 分子名称: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein sigma, CHLORIDE ION | | 著者 | Bier, D, Ottmann, C. | | 登録日 | 2017-07-07 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Molecular tweezers modulate 14-3-3 protein-protein interactions.
Nat Chem, 5, 2013
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3KO2
 | | I-MsoI re-designed for altered DNA cleavage specificity (-7C) | | 分子名称: | 5'-D(*CP*GP*GP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*GP*TP*CP*TP*GP*C)-3', 5'-D(*GP*CP*AP*GP*AP*CP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*CP*CP*G)-3', CALCIUM ION, ... | | 著者 | Taylor, G.K, Stoddard, B.L. | | 登録日 | 2009-11-13 | | 公開日 | 2010-05-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs.
Nucleic Acids Res., 38, 2010
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5O3H
 | | Human Brd2(BD2) mutant in complex with 9-ME-Am1 | | 分子名称: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ... | | 著者 | Chan, K.-H, Runcie, A.C, Ciulli, A. | | 登録日 | 2017-05-23 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
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5KWQ
 | | Two Tandem RRM Domains of FBP-Interacting Repressor (FIR), also Known as PUF60 | | 分子名称: | Poly(U)-binding-splicing factor PUF60 | | 著者 | Crichlow, G.V, Yang, Y, Zhou, H, Lolis, E.J, Braddock, D.T. | | 登録日 | 2016-07-18 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Unraveling the mechanism of recognition of the 3' splice site of the adenovirus major late promoter intron by the alternative splicing factor PUF60.
Plos One, 15, 2020
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6M1I
 | | CryoEM structure of human PAC1 receptor in complex with PACAP38 | | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | 著者 | Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y. | | 登録日 | 2020-02-26 | | 公開日 | 2020-03-11 | | 最終更新日 | 2020-05-27 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
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3GPL
 | | Crystal structure of the ternary complex of RecD2 with DNA and ADPNP | | 分子名称: | 5'-D(*T*TP*TP*TP*TP*TP*TP*T)-3', Exodeoxyribonuclease V, subunit RecD, ... | | 著者 | Saikrishnan, K, Cook, N, Wigley, D.B. | | 登録日 | 2009-03-23 | | 公開日 | 2009-06-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Mechanistic basis of 5'-3' translocation in SF1B helicases.
Cell(Cambridge,Mass.), 137, 2009
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5NUF
 | | Cytosolic Malate Dehydrogenase 1 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Young, D, Messens, J, Huang, J, Reichheld, J.-P. | | 登録日 | 2017-04-29 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Self-protection of cytosolic malate dehydrogenase against oxidative stress in Arabidopsis.
J. Exp. Bot., 69, 2018
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5KVJ
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6MFE
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6MG1
 | | C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2 Crystal Form | | 分子名称: | 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta, ... | | 著者 | Horton, J.R, Cheng, X, Yang, J. | | 登録日 | 2018-09-12 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
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3HW8
 | | ternary complex of DNA polymerase lambda of a two nucleotide gapped DNA substrate with a C in the scrunch site | | 分子名称: | 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*T)-3', ... | | 著者 | Garcia-Diaz, M, Bebenek, K, Larrea, A.A, Havener, J.M, Perera, L, Krahn, J.M, Pedersen, L.C, Ramsden, D.A, Kunkel, T.A. | | 登録日 | 2009-06-17 | | 公開日 | 2009-08-25 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Scrunching Durning DNA Repair Synthesis
To be Published
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6MAL
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6MB8
 | | Apo structure of AAC-IIIb | | 分子名称: | Aac(3)-IIIb protein, CHLORIDE ION | | 著者 | Cuneo, M.J, Kumar, P. | | 登録日 | 2018-08-29 | | 公開日 | 2018-11-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
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3NCJ
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6JSE
 | | Crystal Structure of BACE1 in complex with N-(3-((4S,5R)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | | 分子名称: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | | 著者 | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | | 登録日 | 2019-04-08 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.
J.Med.Chem., 62, 2019
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