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5J0L
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De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
分子名称: designed protein 3L6HC2_2
著者Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
登録日2016-03-28
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
3C1G
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BU of 3c1g by Molmil
Substrate binding, deprotonation and selectivity at the periplasmic entrance of the E. coli ammonia channel AmtB
分子名称: ACETATE ION, Ammonia channel, SULFATE ION
著者Javelle, A, Kostrewa, D, Lupo, D, Winkler, F.K.
登録日2008-01-23
公開日2008-03-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Substrate binding, deprotonation, and selectivity at the periplasmic entrance of the Escherichia coli ammonia channel AmtB.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5ITX
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BU of 5itx by Molmil
Crystal Structure of Human NEIL1(P2G R242K) bound to duplex DNA containing Thymine Glycol
分子名称: DNA (26-MER), Endonuclease 8-like 1
著者Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C.
登録日2016-03-17
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
4UX1
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BU of 4ux1 by Molmil
Cryo-EM structure of antagonist-bound E2P gastric H,K-ATPase (SCH.E2. AlF)
分子名称: POTASSIUM-TRANSPORTING ATPASE ALPHA CHAIN 1, POTASSIUM-TRANSPORTING ATPASE SUBUNIT BETA
著者Abe, K, Tani, K, Fujiyoshi, Y.
登録日2014-08-18
公開日2014-09-17
最終更新日2014-11-12
実験手法ELECTRON CRYSTALLOGRAPHY (8 Å)
主引用文献Systematic Comparison of Molecular Conformations of H+,K+-ATPase Reveals an Important Contribution of the A-M2 Linker for the Luminal Gating.
J.Biol.Chem., 289, 2014
3BR5
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BU of 3br5 by Molmil
Crystal Structure of the Complex of Rhodamine 6G Bound to QacR(E90Q), a Mutant of a Multidrug Binding Transcriptional Repressor
分子名称: HTH-type transcriptional regulator qacR, RHODAMINE 6G, SULFATE ION
著者Brooks, B.E.
登録日2007-12-20
公開日2008-12-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Formal electrostatic interactions do not govern QacR-cation affinity
To be Published
3C49
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BU of 3c49 by Molmil
Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor KU0058948
分子名称: 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one, Poly(ADP-ribose) polymerase 3
著者Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC)
登録日2008-01-29
公開日2008-02-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
5XTM
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BU of 5xtm by Molmil
Crystal structure of PhoRpp38 bound to a K-turn in P12.2 helix
分子名称: 50S ribosomal protein L7Ae, MAGNESIUM ION, RNA (47-MER)
著者Oshima, K, Kimura, M.
登録日2017-06-20
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of the archaeal RNase P protein Rpp38 in complex with RNA fragments containing a K-turn motif.
Acta Crystallogr F Struct Biol Commun, 74, 2018
3C4H
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BU of 3c4h by Molmil
Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor DR2313
分子名称: 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Poly(ADP-ribose) polymerase 3
著者Lehtio, L, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC)
登録日2008-01-30
公開日2008-02-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
3C4S
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BU of 3c4s by Molmil
Crystal structure of the Ssl0352 protein from Synechocystis sp. Northeast Structural Genomics Consortium target SgR42
分子名称: Ssl0352 protein
著者Vorobiev, S.M, Chen, Y, Seetharaman, J, Wang, D, Maglaqui, M, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-01-30
公開日2008-02-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the Ssl0352 protein from Synechocystis sp.
To be Published
5JBJ
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BU of 5jbj by Molmil
Crystal structure of chicken LGP2 with 5'p 12-mer dsRNA at 3.6 A resolution
分子名称: LGP2, RNA (5'-R(P*GP*GP*UP*AP*GP*CP*GP*CP*UP*AP*CP*C)-3'), ZINC ION
著者Cusack, S, Uchikawa, E, Lethier, M.
登録日2016-04-13
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.58 Å)
主引用文献Structural Analysis of dsRNA Binding to Anti-viral Pattern Recognition Receptors LGP2 and MDA5.
Mol.Cell, 62, 2016
5XVO
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BU of 5xvo by Molmil
E. fae Cas1-Cas2/prespacer/target ternary complex revealing DNA sampling and half-integration states
分子名称: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ...
著者Xiao, Y, Ng, S, Nam, K.H, Ke, A.
登録日2017-06-28
公開日2017-10-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
5XWG
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BU of 5xwg by Molmil
Crystal structure of a novel RNA motif that allows for precise positioning of a metal ion
分子名称: RNA (5'-R(P*CP*GP*CP*UP*(5BU)P*CP*GP*AP*AP*AP*AP*AP*GP*UP*C)-3'), STRONTIUM ION
著者Kanazawa, H, Kondo, J.
登録日2017-06-29
公開日2017-10-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献Crystal structure of a novel RNA motif that allows for precise positioning of a single metal ion.
J. Inorg. Biochem., 176, 2017
5JBV
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BU of 5jbv by Molmil
Lys27-linked triubiquitin
分子名称: D-ubiquitin, NITRATE ION, Ubiquitin
著者Pan, M, Gao, S, Zheng, Y.
登録日2016-04-13
公開日2016-05-18
最終更新日2022-02-09
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Structure of Lys27-linked triubiquitin
To Be Published
5JC3
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BU of 5jc3 by Molmil
Crystal structure of chicken MDA5 with 5'p 10-mer dsRNA and ADP-Mg2+ at 2.6 A resolution (monoclinic form, twinned).
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Melanoma differentiation associated protein-5, ...
著者Cusack, S, Uchikawa, E.
登録日2016-04-14
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Analysis of dsRNA Binding to Anti-viral Pattern Recognition Receptors LGP2 and MDA5.
Mol.Cell, 62, 2016
5JCF
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BU of 5jcf by Molmil
Crystal structure of chicken MDA5 with 5'p 10-mer dsRNA and ADP-Mg2+ at 2.6 A resolution (orthorhombic form).
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Melanoma differentiation associated protein-5, ...
著者Cusack, S, Uchikawa, E.
登録日2016-04-15
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Analysis of dsRNA Binding to Anti-viral Pattern Recognition Receptors LGP2 and MDA5.
Mol.Cell, 62, 2016
3BOJ
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BU of 3boj by Molmil
Carbonic anhydrase from marine diatom Thalassiosira weissflogii- cadmium bound domain 1 without bound metal (CDCA1-R1)
分子名称: ACETATE ION, Cadmium-specific carbonic anhydrase
著者Xu, Y, Feng, L, Jeffrey, P.D, Shi, Y, Morel, F.M.M.
登録日2007-12-17
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and metal exchange in the cadmium carbonic anhydrase of marine diatoms.
Nature, 452, 2008
5JD3
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BU of 5jd3 by Molmil
Crystal structure of LAE5, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, LAE5, ...
著者Stogios, P.J, Xu, X, Nocek, B, Cui, H, Yim, V, Martinez-Martinez, M, Alcaide, M, Ferrer, M, Savchenko, A.
登録日2016-04-15
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献To be published
To Be Published
5XXF
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BU of 5xxf by Molmil
Crystal structure of Poz1, Tpz1 and Rap1
分子名称: Protection of telomeres protein poz1, Protection of telomeres protein tpz1, Rap1, ...
著者Xue, J, Chen, H, Wu, J, Lei, M.
登録日2017-07-03
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the fission yeast S. pombe telomeric Tpz1-Poz1-Rap1 complex.
Cell Res., 27, 2017
3BQD
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BU of 3bqd by Molmil
Doubling the Size of the Glucocorticoid Receptor Ligand Binding Pocket by Deacylcortivazol
分子名称: 1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone, Glucocorticoid receptor, Nuclear receptor coactivator 1
著者Xu, H.E.
登録日2007-12-20
公開日2008-01-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Doubling the size of the glucocorticoid receptor ligand binding pocket by deacylcortivazol.
Mol.Cell.Biol., 28, 2008
5JEV
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BU of 5jev by Molmil
del-[Ru(phen)2(dppz]2+ bound to d(TCGGCGCCGA) with Cobalt hexammine
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), Delta-Ru(phen)2(dppz) complex
著者Hall, J.P, Cardin, C.J.
登録日2016-04-19
公開日2016-09-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Delta chirality ruthenium 'light-switch' complexes can bind in the minor groove of DNA with five different binding modes.
Nucleic Acids Res., 44, 2016
3C3E
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BU of 3c3e by Molmil
Crystal structure of 2-phospho-(S)-lactate transferase from Methanosarcina mazei in complex with Fo and GDP. Northeast Structural Genomics Consortium target MaR46
分子名称: 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, 2-phospho-L-lactate transferase, GUANOSINE-5'-DIPHOSPHATE
著者Forouhar, F, Abashidze, M, Xu, H, Grochowski, L.L, Seetharaman, J, Hussain, M, Kuzin, A.P, Chen, Y, Zhou, W, Xiao, R, Acton, T.B, Montelione, G.T, Galinier, A, White, R.H, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-01-28
公開日2008-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular insights into the biosynthesis of the f420 coenzyme.
J.Biol.Chem., 283, 2008
5JF0
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BU of 5jf0 by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with tripeptide Met-Ala-Arg
分子名称: ACETATE ION, MET-ALA-ARG, NICKEL (II) ION, ...
著者Fieulaine, S, Giglione, C, Meinnel, T.
登録日2016-04-19
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
5X6G
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Crystal Structure of SMAD5-MH1/palindromic SBE DNA complex
分子名称: DNA (5'-D(P*AP*TP*CP*AP*GP*TP*CP*TP*AP*GP*AP*CP*AP*TP*A)-3'), DNA (5'-D(P*GP*TP*AP*TP*GP*TP*CP*TP*AP*GP*AP*CP*TP*GP*A)-3'), Mothers against decapentaplegic homolog 5, ...
著者Chai, N, Wang, J, Wang, Z.X, Wu, J.W.
登録日2017-02-21
公開日2017-03-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural basis for the Smad5 MH1 domain to recognize different DNA sequences.
Nucleic Acids Res., 43, 2015
5X6H
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Crystal Structure of SMAD5-MH1/GC-BRE DNA complex
分子名称: DNA (5'-D(P*GP*TP*AP*TP*GP*GP*CP*GP*CP*CP*AP*TP*AP*C)-3'), Mothers against decapentaplegic homolog 5, ZINC ION
著者Chai, N, Wang, J, Wang, Z.X, Wu, J.W.
登録日2017-02-22
公開日2017-03-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for the Smad5 MH1 domain to recognize different DNA sequences.
Nucleic Acids Res., 43, 2015
5X6M
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Crystal Structure of SMAD5-MH1 in complex with a composite DNA sequence
分子名称: DNA (5'-D(P*AP*TP*CP*AP*GP*AP*CP*TP*GP*CP*CP*GP*GP*CP*AP*GP*TP*CP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*AP*GP*AP*CP*TP*GP*CP*CP*GP*GP*CP*AP*GP*TP*CP*TP*GP*A)-3'), Mothers against decapentaplegic homolog 5, ...
著者Chai, N, Wang, J, Wang, Z.X, Wu, J.W.
登録日2017-02-22
公開日2017-03-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for the Smad5 MH1 domain to recognize different DNA sequences.
Nucleic Acids Res., 43, 2015

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