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2Y7X
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The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs
分子名称: 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J.
登録日2011-02-02
公開日2011-03-16
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
6VWB
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BU of 6vwb by Molmil
Solution structure of the N-terminal helix-hairpin-helix domain of human MUS81
分子名称: Crossover junction endonuclease MUS81
著者Payliss, B, Houliston, S, Lemak, A, Arrowsmith, C.H, Wyatt, H.D.M.
登録日2020-02-19
公開日2021-02-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease
Cell Rep, 41, 2022
7TVH
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Hyperlytic variant of Tae1, Type VI secretion amidase effector 1, from Pseudomonas aeruginosa (Cys110Ser)
分子名称: Peptidoglycan amidase Tse1
著者Radkov, A, Saunders, H, Chou, S.
登録日2022-02-04
公開日2022-07-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Antibacterial potency of type VI amidase effector toxins is dependent on substrate topology and cellular context.
Elife, 11, 2022
5N76
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BU of 5n76 by Molmil
Crystal structure of the apo-form of the CO dehydrogenase accessory protein CooT from Rhodospirillum rubrum
分子名称: CooT
著者Timm, J, Brochier-Armanet, C, Perard, J, Zambelli, B, Ollagnier-de-Choudens, S, Ciurli, S, Cavazza, C.
登録日2017-02-19
公開日2017-05-10
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The CO dehydrogenase accessory protein CooT is a novel nickel-binding protein.
Metallomics, 9, 2017
2VH0
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Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs
分子名称: 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ...
著者Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P.
登録日2007-11-16
公開日2008-11-25
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs.
Bioorg. Med. Chem. Lett., 18, 2008
5W7G
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An envelope of a filamentous hyperthermophilic virus carries lipids in a horseshoe conformation
分子名称: DNA (253-MER), ORF132, ORF140
著者Kasson, P, DiMaio, F, Yu, X, Lucas-Staat, S, Krupovic, M, Schouten, S, Prangishvili, D, Egelman, E.
登録日2017-06-19
公開日2017-07-19
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Model for a novel membrane envelope in a filamentous hyperthermophilic virus.
Elife, 6, 2017
7T2F
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BU of 7t2f by Molmil
Solution structure of the model HEEH mini protein homodimer HEEH_TK_rd5_0341
分子名称: HEEH mini protein HEEH_TK_rd5_0341
著者Lemak, A, Houliston, S, Kim, T.-E, Martel, C, Rocklin, G.J, Arrowsmith, C.H.
登録日2021-12-04
公開日2022-10-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation.
Proc.Natl.Acad.Sci.USA, 119, 2022
5NO4
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RsgA-GDPNP bound to the 30S ribosomal subunit (RsgA assembly intermediate with uS3)
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Lopez-Alonso, J.P, Kaminishi, T, Kikuchi, T, Hirata, Y, Iturrioz, I, Dhimole, N, Schedlbauer, A, Hase, Y, Goto, S, Kurita, D, Muto, A, Zhou, S, Naoe, C, Mills, D.J, Gil-Carton, D, Takemoto, C, Himeno, H, Fucini, P, Connell, S.R.
登録日2017-04-10
公開日2017-05-31
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (5.16 Å)
主引用文献RsgA couples the maturation state of the 30S ribosomal decoding center to activation of its GTPase pocket.
Nucleic Acids Res., 45, 2017
5NO2
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RsgA-GDPNP bound to the 30S ribosomal subunit (RsgA assembly intermediate)
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Lopez-Alonso, J.P, Kaminishi, T, Kikuchi, T, Hirata, Y, Iturrioz, I, Dhimole, N, Schedlbauer, A, Hase, Y, Goto, S, Kurita, D, Muto, A, Zhou, S, Naoe, C, Mills, D.J, Gil-Carton, D, Takemoto, C, Himeno, H, Fucini, P, Connell, S.R.
登録日2017-04-10
公開日2017-05-24
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (5.16 Å)
主引用文献RsgA couples the maturation state of the 30S ribosomal decoding center to activation of its GTPase pocket.
Nucleic Acids Res., 45, 2017
2VH6
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BU of 2vh6 by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with biaryl P4 motifs
分子名称: 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN
著者Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Chung, C.W, Convery, M.A, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A.N, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E.
登録日2007-11-19
公開日2008-12-16
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Biaryl P4 Motifs.
Bioorg.Med.Chem.Lett., 18, 2008
3OWG
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BU of 3owg by Molmil
Crystal structure of vaccinia virus Polyadenylate polymerase(vp55)
分子名称: Poly(A) polymerase catalytic subunit
著者Li, C, Li, H, Zhou, S, Gershon, P.D, Poulos, T.L.
登録日2010-09-17
公開日2011-09-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Domain-level rocking motion within a polymerase that translocates on single-stranded nucleic acid.
Acta Crystallogr.,Sect.D, 69, 2013
8ODQ
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BU of 8odq by Molmil
SufS-SufU complex from Mycobacterium tuberculosis
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Cysteine desulfurase, NITRATE ION, ...
著者Elchennawi, I, Carpentier, P, Caux, C, Ponge, M, Ollagnier de Choudens, S.
登録日2023-03-09
公開日2023-05-31
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and Biochemical Characterization of Mycobacterium tuberculosis Zinc SufU-SufS Complex.
Biomolecules, 13, 2023
3ERC
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BU of 3erc by Molmil
Crystal structure of the heterodimeric vaccinia virus mRNA polyadenylate polymerase with three fragments of RNA and 3'-deoxy ATP
分子名称: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, ...
著者Li, C, Li, H, Zhou, S, Poulos, T.L, Gershon, P.D.
登録日2008-10-01
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Polymerase Translocation with Respect to Single-Stranded Nucleic Acid: Looping or Wrapping of Primer around a Poly(A) Polymerase
Structure, 17, 2009
3ER9
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BU of 3er9 by Molmil
Crystal structure of the heterodimeric vaccinia virus mRNA polyadenylate polymerase complex with UU and 3'-deoxy ATP
分子名称: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, 5'-R(UP*U)-3', CALCIUM ION, ...
著者Li, C, Li, H, Zhou, S, Poulos, T.L, Gershon, P.D.
登録日2008-10-01
公開日2009-06-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Polymerase Translocation with Respect to Single-Stranded Nucleic Acid: Looping or Wrapping of Primer around a Poly(A) Polymerase
Structure, 17, 2009
5AA7
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Structural and functional characterization of a chitin-active 15.5 kDa lytic polysaccharide monooxygenase domain from a modular chitinase from Jonesia denitrificans
分子名称: CHITINASE, COPPER (I) ION
著者Mekasha, S, Forsberg, Z, Dalhus, B, Choudhary, S, Schmidt-Dannert, C, Vaaje-Kolstad, G, Eijsink, V.
登録日2015-07-23
公開日2015-12-09
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural and Functional Characterization of a Small Chitin-Active Lytic Polysaccharide Monooxygenase Domain of a Multi-Modular Chitinase from Jonesia Denitrificans.
FEBS Lett., 590, 2016
3TB2
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BU of 3tb2 by Molmil
1-Cys peroxidoxin from Plasmodium Yoelli
分子名称: 1,2-ETHANEDIOL, 1-Cys peroxiredoxin, GLYCEROL, ...
著者Qiu, W, Artz, J.D, Vedadi, M, Sharma, S, Houston, S, Lew, J, Wasney, G, Amani, M, Xu, X, Bray, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Hui, R, Bochkarev, A, Structural Genomics Consortium (SGC)
登録日2011-08-04
公開日2011-10-19
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
4BUL
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Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases
分子名称: (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one, 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP *CP*GP*CP*AP*C)-3', 5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*TP*AP*CP*CP*TP *AP*CP*GP*GP*CP*T)-3', ...
著者Miles, T.J, Hennessy, A.J, Bax, B, Brooks, G, Brown, B.S, Brown, P, Cailleau, N, Chen, D, Dabbs, S, Davies, D.T, Esken, J.M, Giordano, I, Hoover, J.L, Huang, J, Jones, G.E, Sukmar, S.K.K, Spitzfaden, C, Markwell, R.E, Minthorn, E.A, Rittenhouse, S, Gwynn, M.N, Pearson, N.D.
登録日2013-06-20
公開日2013-08-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases.
Bioorg.Med.Chem.Lett., 23, 2013
3ER8
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Crystal structure of the heterodimeric vaccinia virus mRNA polyadenylate polymerase complex with two fragments of RNA
分子名称: Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, Poly(A) polymerase catalytic subunit, RNA/DNA chimera 5'-D(CP*CP*)R(UP*UP*)D(C)-3', ...
著者Li, C, Li, H, Zhou, S, Poulos, T.L, Gershon, P.D.
登録日2008-10-01
公開日2009-06-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Polymerase Translocation with Respect to Single-Stranded Nucleic Acid: Looping or Wrapping of Primer around a Poly(A) Polymerase
Structure, 17, 2009
1J4Q
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NMR STRUCTURE OF THE FHA1 DOMAIN OF RAD53 IN COMPLEX WITH A RAD9-DERIVED PHOSPHOTHREONINE (AT T192) PEPTIDE
分子名称: DNA REPAIR PROTEIN RAD9, PROTEIN KINASE SPK1
著者Yuan, C, Yongkiettrakul, S, Byeon, I.-J.L, Zhou, S, Tsai, M.-D.
登録日2001-10-22
公開日2001-12-05
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structures of two FHA1-phosphothreonine peptide complexes provide insight into the structural basis of the ligand specificity of FHA1 from yeast Rad53.
J.Mol.Biol., 314, 2001
1K3Q
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NMR structure of the FHA1 Domain of Rad53 in Complex with a Rad9-derived Phosphothreonine (at T192) Peptide
分子名称: DNA repair protein Rad9, Protein Kinase SPK1
著者Yuan, C, Yongkiettrakul, S, Byeon, I.-J.L, Zhou, S, Tsai, M.-D.
登録日2001-10-03
公開日2001-12-05
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structures of two FHA1-phosphothreonine peptide complexes provide insight into the structural basis of the ligand specificity of FHA1 from yeast Rad53.
J.Mol.Biol., 314, 2001
1FO8
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CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINYLTRANSFERASE I
分子名称: ALPHA-1,3-MANNOSYL-GLYCOPROTEIN BETA-1,2-N-ACETYLGLUCOSAMINYLTRANSFERASE, METHYL MERCURY ION
著者Unligil, U.M, Zhou, S, Yuwaraj, S, Sarkar, M, Schachter, H, Rini, J.M.
登録日2000-08-26
公開日2001-04-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray crystal structure of rabbit N-acetylglucosaminyltransferase I: catalytic mechanism and a new protein superfamily.
EMBO J., 19, 2000
2YBA
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Crystal structure of Nurf55 in complex with histone H3
分子名称: HISTONE H3, PROBABLE HISTONE-BINDING PROTEIN CAF1
著者Schmitges, F.W, Prusty, A.B, Faty, M, Stutzer, A, Lingaraju, G.M, Aiwazian, J, Sack, R, Hess, D, Li, L, Zhou, S, Bunker, R.D, Wirth, U, Bouwmeester, T, Bauer, A, Ly-Hartig, N, Zhao, K, Chan, H, Gu, J, Gut, H, Fischle, W, Muller, J, Thoma, N.H.
登録日2011-03-02
公開日2011-05-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks
Mol.Cell, 42, 2011
2YB8
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Crystal structure of Nurf55 in complex with Su(z)12
分子名称: POLYCOMB PROTEIN SU(Z)12, PROBABLE HISTONE-BINDING PROTEIN CAF1, SULFATE ION
著者Schmitges, F.W, Prusty, A.B, Faty, M, Stutzer, A, Lingaraju, G.M, Aiwazian, J, Sack, R, Hess, D, Li, L, Zhou, S, Bunker, R.D, Wirth, U, Bouwmeester, T, Bauer, A, Ly-Hartig, N, Zhao, K, Chan, H, Gu, J, Gut, H, Fischle, W, Muller, J, Thoma, N.H.
登録日2011-03-02
公開日2011-05-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks.
Mol.Cell, 42, 2011
1FOA
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CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINYLTRANSFERASE I
分子名称: ALPHA-1,3-MANNOSYL-GLYCOPROTEIN BETA-1,2-N-ACETYLGLUCOSAMINYLTRANSFERASE, GLYCEROL, MANGANESE (II) ION, ...
著者Unligil, U.M, Zhou, S, Yuwaraj, S, Sarkar, M, Schachter, H, Rini, J.M.
登録日2000-08-26
公開日2001-05-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structure of rabbit N-acetylglucosaminyltransferase I: catalytic mechanism and a new protein superfamily.
EMBO J., 19, 2000
1FO9
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CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINYLTRANSFERASE I
分子名称: ALPHA-1,3-MANNOSYL-GLYCOPROTEIN BETA-1,2-N-ACETYLGLUCOSAMINYLTRANSFERASE
著者Unligil, U.M, Zhou, S, Yuwaraj, S, Sarkar, M, Schachter, H, Rini, J.M.
登録日2000-08-26
公開日2001-04-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-ray crystal structure of rabbit N-acetylglucosaminyltransferase I: catalytic mechanism and a new protein superfamily.
EMBO J., 19, 2000

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