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PDB: 45955 件

4BDZ
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PFV intasome with inhibitor XZ-90
分子名称: 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one, ...
著者Hare, S, Cherepanov, P.
登録日2012-10-08
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
2AME
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BU of 2ame by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 N14Q
分子名称: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
著者Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
登録日1999-01-18
公開日1999-04-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
1N3U
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Crystal structure of human heme oxygenase 1 (HO-1) in complex with its substrate heme, crystal form B
分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, heme oxygenase 1
著者Lad, L, Schuller, D.J, Friedman, J.P, Li, H, Ortiz de Montellano, P.R, Poulos, T.L.
登録日2002-10-29
公開日2002-11-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Comparison of the heme-free and -bound crystal structures of human heme oxygenase-1
J.Biol.Chem., 278, 2003
1XOM
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BU of 1xom by Molmil
Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Cilomilast
分子名称: 1,2-ETHANEDIOL, CILOMILAST, MAGNESIUM ION, ...
著者Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
登録日2004-10-06
公開日2004-12-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
4RWQ
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BU of 4rwq by Molmil
Crystal structure of the apo-state of porcine OAS1
分子名称: 2'-5'-oligoadenylate synthase 1
著者Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R.
登録日2014-12-05
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
3OXA
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BU of 3oxa by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M116C-CN from P. putida
分子名称: Steroid Delta-isomerase
著者Sigala, P.A, Fenn, T.D, Herschlag, D.
登録日2010-09-21
公開日2011-09-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4A7G
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BU of 4a7g by Molmil
Structure of human I113T SOD1 mutant complexed with 4-methylpiperazin- 1-yl)quinazoline in the p21 space group.
分子名称: 4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINE, ACETATE ION, COPPER (II) ION, ...
著者Wright, G.S.A, Kershaw, N.M, Sharma, R, Antonyuk, S.V, Strange, R.W, Berry, N.G, O'Neil, P.M, Hasnain, S.S.
登録日2011-11-14
公開日2012-10-24
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献X-ray crystallography and computational docking for the detection and development of protein-ligand interactions.
Curr.Med.Chem., 20, 2013
2WII
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BU of 2wii by Molmil
Complement C3b in complex with factor H domains 1-4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COMPLEMENT C3 BETA CHAIN, ...
著者Wu, J, Janssen, B.J.C, Gros, P.
登録日2009-05-12
公開日2009-06-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of complement fragment C3b-factor H and implications for host protection by complement regulators.
Nat. Immunol., 10, 2009
2X4N
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BU of 2x4n by Molmil
Crystal structure of MHC CLass I HLA-A2.1 bound to residual fragments of a photocleavable peptide that is cleaved upon UV-light treatment
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ...
著者Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M.
登録日2010-02-02
公開日2010-03-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
4NAE
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BU of 4nae by Molmil
PcrB from Geobacillus kaustophilus, with bound G1P
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Heptaprenylglyceryl phosphate synthase, SN-GLYCEROL-1-PHOSPHATE
著者Peterhoff, D, Beer, B, Rajendran, C, Kumpula, E.P, Kapetaniou, E, Guldan, H, Wierenga, R.K, Sterner, R, Babinger, P.
登録日2013-10-22
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A comprehensive analysis of the geranylgeranylglyceryl phosphate synthase enzyme family identifies novel members and reveals mechanisms of substrate specificity and quaternary structure organization.
Mol.Microbiol., 92, 2014
1JZW
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BU of 1jzw by Molmil
Arsenate Reductase + Sodium Arsenate From E. coli
分子名称: ARSENATE REDUCTASE, CESIUM ION, SULFATE ION, ...
著者Martin, P, DeMel, S, Shi, J, Gladysheva, T, Gatti, D.L, Rosen, B.P, Edwards, B.F.
登録日2001-09-17
公開日2001-11-28
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Insights into the structure, solvation, and mechanism of ArsC arsenate reductase, a novel arsenic detoxification enzyme.
Structure, 9, 2001
3FWN
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BU of 3fwn by Molmil
Dimeric 6-phosphogluconate dehydrogenase complexed with 6-phosphogluconate and 2'-monophosphoadenosine-5'-diphosphate
分子名称: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconate dehydrogenase, ...
著者Chen, Y.-Y, Ko, T.-P, Lo, L.-P, Lin, C.-H, Wang, A.H.-J.
登録日2009-01-19
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational changes associated with cofactor/substrate binding of 6-phosphogluconate dehydrogenase from Escherichia coli and Klebsiella pneumoniae: Implications for enzyme mechanism
J.Struct.Biol., 169, 2010
1TKL
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BU of 1tkl by Molmil
Yeast Oxygen-Dependent Coproporphyrinogen Oxidase
分子名称: Coproporphyrinogen III oxidase
著者Phillips, J.D, Whitby, F.G, Warby, C.A, Labbe, P, Yang, C, Pflugrath, J.W, Ferrara, J.D, Robinson, H, Kushner, J.P, Hill, C.P.
登録日2004-06-08
公開日2004-07-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Oxygen-dependant Coproporphyrinogen Oxidase (Hem13p) of Saccharomyces cerevisiae
J.Biol.Chem., 279, 2004
6RZA
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BU of 6rza by Molmil
Cryo-EM structure of the human inner arm dynein DNAH7 microtubule binding domain bound to microtubules
分子名称: Cytoplasmic dynein 1 heavy chain 1,Dynein heavy chain 7, axonemal,Cytoplasmic dynein 1 heavy chain 1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Lacey, S.E, He, S, Scheres, S.H.W, Carter, A.P.
登録日2019-06-13
公開日2019-07-10
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Cryo-EM of dynein microtubule-binding domains shows how an axonemal dynein distorts the microtubule.
Elife, 8, 2019
6S04
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BU of 6s04 by Molmil
Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-glycolylneuraminic acid
分子名称: ACETATE ION, GLYCEROL, N-glycolyl-beta-neuraminic acid, ...
著者Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J.
登録日2019-06-13
公開日2019-11-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action.
Nat Commun, 10, 2019
2X8S
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BU of 2x8s by Molmil
Crystal Structure of the Abn2 D171A mutant in complex with arabinotriose
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者deSanctis, D, Inacio, J.M, Lindley, P.F, de Sa-Nogueira, I, Bento, I.
登録日2010-03-11
公開日2011-03-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献New Evidence for the Role of Calcium in the Glycosidase Reaction of Gh43 Arabinanases.
FEBS J., 277, 2010
2OTH
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BU of 2oth by Molmil
Crystal structure of a ternary complex of phospholipase A2 with indomethacin and nimesulide at 2.9 A resolution
分子名称: 4-NITRO-2-PHENOXYMETHANESULFONANILIDE, ACETONITRILE, INDOMETHACIN, ...
著者Kumar, S, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
登録日2007-02-08
公開日2007-02-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of a ternary complex of phospholipase A2 with indomethacin and nimesulide at 2.9 A resolution
To be Published
1XYZ
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BU of 1xyz by Molmil
A COMMON PROTEIN FOLD AND SIMILAR ACTIVE SITE IN TWO DISTINCT FAMILIES OF BETA-GLYCANASES
分子名称: 1,4-BETA-D-XYLAN-XYLANOHYDROLASE
著者Alzari, P.M, Spinelli, S, Dominguez, R.
登録日1995-06-07
公開日1996-01-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A common protein fold and similar active site in two distinct families of beta-glycanases.
Nat.Struct.Biol., 2, 1995
3ZW7
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BU of 3zw7 by Molmil
The 3-dimensional structure of MpgP from Thermus thermophilus HB27, in complex with the alpha-mannosylglycerate and metaphosphate.
分子名称: (2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid, CHLORIDE ION, MAGNESIUM ION, ...
著者Goncalves, S, Esteves, A.M, Santos, H, Borges, N, Matias, P.M.
登録日2011-07-28
公開日2011-10-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献The Three-Dimensional Structure of Mannosyl-3-Phosphoglycerate Phosphatase from Thermus Thermophilus Hb27: A New Member of the Haloalkanoic Acid Dehalogenase Superfamily.
Biochemistry, 50, 2011
6S5X
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Structure of RibR, the most N-terminal Rib domain from Group B Streptococcus species Streptococcus agalactiae
分子名称: Group B streptococcal R4 surface protein, SODIUM ION
著者Whelan, F, Turkenburg, J.P, Griffiths, S.C, Bateman, A, Potts, J.R.
登録日2019-07-02
公開日2019-12-11
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection.
Proc.Natl.Acad.Sci.USA, 116, 2019
6RMB
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BU of 6rmb by Molmil
Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative mRNA splicing factor, ...
著者Hamann, F, Neumann, P, Ficner, R.
登録日2019-05-06
公開日2020-02-05
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2.
Proc.Natl.Acad.Sci.USA, 117, 2020
5PEG
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BU of 5peg by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 109)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PEX
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BU of 5pex by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 126)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
3DMJ
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CRYSTAL STRUCTURE OF HIV-1 V106A and Y181C MUTANT REVERSE TRANSCRIPTASE IN COMPLEX WITH GW564511.
分子名称: N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ...
著者Ren, J, Chamberlain, P.P, Stammers, D.K.
登録日2008-07-01
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
4GPW
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Crystal structure of the protozoal cytoplasmic ribosomal decoding site in complex with 6'-hydroxysisomicin (P21212 form)
分子名称: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3')
著者Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S.
登録日2012-08-22
公開日2013-04-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites
Chemmedchem, 8, 2013

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