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PDB: 12479 件

4CDU
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BU of 4cdu by Molmil
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP3
分子名称: 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ...
著者De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
登録日2013-11-06
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
3C4C
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BU of 3c4c by Molmil
B-Raf Kinase in Complex with PLX4720
分子名称: B-Raf proto-oncogene serine/threonine-protein kinase, N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide
著者Zhang, K.Y.J, Wang, W.
登録日2008-01-29
公開日2008-02-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
6PS5
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BU of 6ps5 by Molmil
XFEL beta2 AR structure by ligand exchange from Timolol to Propranolol.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, CHOLESTEROL, ...
著者Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
登録日2019-07-12
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6PS2
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BU of 6ps2 by Molmil
XFEL beta2 AR structure by ligand exchange from Timolol to Alprenolol.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
著者Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
登録日2019-07-12
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6DGE
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BU of 6dge by Molmil
Crystal structure of the dimethylarginine dimethylaminohydrolase adduct with N5-(1-imino-2-chloroethyl)-L-lysine
分子名称: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine
著者Monzingo, A.F, Burstein-Teitelbaum, G, Er, J.A.V, Tuley, A, Fast, W.
登録日2018-05-17
公開日2018-07-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Dissection, Optimization, and Structural Analysis of a Covalent Irreversible DDAH1 Inhibitor.
Biochemistry, 57, 2018
1KMF
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BU of 1kmf by Molmil
NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-ALLO-ILE, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES
分子名称: Insulin
著者Xu, B, Hua, Q.X, Nakagawa, S.H, Jia, W, Chu, Y.C, Katsoyannis, P.G, Weiss, M.A.
登録日2001-12-14
公開日2002-01-09
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献Chiral mutagenesis of insulin's hidden receptor-binding surface: structure of an allo-isoleucine(A2) analogue.
J.Mol.Biol., 316, 2002
4Y5S
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BU of 4y5s by Molmil
Structure of FtmOx1 with a-Ketoglutarate as co-substrate
分子名称: 2-OXOGLUTARIC ACID, COBALT (II) ION, FE (II) ION, ...
著者Yan, W, Zhang, Y.
登録日2015-02-12
公開日2015-11-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.543 Å)
主引用文献Endoperoxide formation by an alpha-ketoglutarate-dependent mononuclear non-haem iron enzyme.
Nature, 527, 2015
3BY2
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BU of 3by2 by Molmil
Norwalk P polypeptide (228-523)
分子名称: 58 kd capsid protein
著者Hegde, R, Bu, W.
登録日2008-01-15
公開日2008-04-22
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 receptor binding specificity of Norwalk virus.
J.Virol., 82, 2008
6PUU
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BU of 6puu by Molmil
Human TRPM2 bound to 8-Br-cADPR and calcium
分子名称: (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide, CALCIUM ION, Transient receptor potential cation channel subfamily M member 2
著者Du, J, Lu, W, Huang, Y.
登録日2019-07-18
公開日2019-09-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel.
Elife, 8, 2019
3BZT
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BU of 3bzt by Molmil
Crystal structural of the mutated P263A EscU C-terminal domain
分子名称: EscU
著者Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
登録日2008-01-18
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
6PWC
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BU of 6pwc by Molmil
A complex structure of arrestin-2 bound to neurotensin receptor 1
分子名称: Beta-arrestin-1, Fab30 heavy chain, Fab30 light chain, ...
著者Yin, W, Li, Z, Jin, M, Yin, Y.-L, de Waal, P.W, Pal, K, Gao, X, He, Y, Gao, J, Wang, X, Zhang, Y, Zhou, H, Melcher, K, Jiang, Y, Cong, Y, Zhou, X.E, Yu, X, Xu, H.E.
登録日2019-07-22
公開日2019-12-04
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献A complex structure of arrestin-2 bound to a G protein-coupled receptor.
Cell Res., 29, 2019
3C03
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BU of 3c03 by Molmil
Crystal structure of the EscU C-terminal domain with P263A mutation,space group P 1 21 1
分子名称: EscU, PROLINE
著者Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
登録日2008-01-18
公開日2008-04-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
6D9H
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BU of 6d9h by Molmil
Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist
分子名称: ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Draper-Joyce, C.J, Khoshouei, M, Thal, D.M, Liang, Y.-L, Nguyen, A.T.N, Furness, S.G.B, Venugopal, H, Baltos, J, Plitzko, J.M, Danev, R, Baumeister, W, May, L.T, Wootten, D, Sexton, P, Glukhova, A, Christopoulos, A.
登録日2018-04-29
公開日2018-06-20
最終更新日2018-07-11
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of the adenosine-bound human adenosine A1receptor-Gicomplex.
Nature, 558, 2018
6DMN
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BU of 6dmn by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Soaked in 2 mM Ca2+ and 200 mM K+ at 21 C
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), ...
著者Samara, N.L, Yang, W.
登録日2018-06-05
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
3C2G
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BU of 3c2g by Molmil
Crystal complex of SYS-1/POP-1 at 2.5A resolution
分子名称: Pop-1 8-residue peptide, Sys-1 protein
著者Liu, J, Phillips, B.T, Amaya, M.F, Kimble, J, Xu, W.
登録日2008-01-24
公開日2008-05-20
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The C. elegans SYS-1 protein is a bona fide beta-catenin.
Dev.Cell, 14, 2008
6DOW
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BU of 6dow by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 200 mM Rb+ for 160 s at 21 C
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.495 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6DP9
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BU of 6dp9 by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mn2+ and 200 mM K+ for 40 s at 21 C
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6DPM
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BU of 6dpm by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with an RNA/DNA Hybrid: Reaction in 10 mM Mg2+ and 200 mM Rb+ for 1800 s at 21 C
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.677 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6DBO
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BU of 6dbo by Molmil
Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs
分子名称: CALCIUM ION, Forward strand of substrate RSS DNA, Recombination activating gene 1 - MBP chimera, ...
著者Wu, H, Liao, M, Ru, H, Mi, W.
登録日2018-05-03
公開日2018-08-01
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
3BZL
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BU of 3bzl by Molmil
Crystal structural of native EscU C-terminal domain
分子名称: EscU, FORMIC ACID, SODIUM ION
著者Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
登録日2008-01-18
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3BZX
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BU of 3bzx by Molmil
Crystal structure of the mutated H265A EscU C-terminal domain
分子名称: EscU, SULFATE ION
著者Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J.
登録日2008-01-18
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
3BP4
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BU of 3bp4 by Molmil
The high resolution crystal structure of HLA-B*2705 in complex with a Cathepsin A signal sequence peptide pCatA
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Kumar, P, Vahedi-Faridi, A, Saenger, W, Uchanska-Ziegler, B, Ziegler, A.
登録日2007-12-18
公開日2008-12-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis for T cell alloreactivity among three HLA-B14 and HLA-B27 antigens
J.Biol.Chem., 284, 2009
3BSU
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BU of 3bsu by Molmil
Hybrid-binding domain of human RNase H1 in complex with 12-mer RNA/DNA
分子名称: DNA (5'-D(*DGP*DAP*DAP*DTP*DCP*DAP*DGP*DGP*(5IU)P*DGP*DTP*DC)-3'), MAGNESIUM ION, RNA (5'-R(*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*C)-3'), ...
著者Nowotny, M, Cerritelli, S.M, Ghirlando, R, Gaidamakov, S.A, Crouch, R.J, Yang, W.
登録日2007-12-26
公開日2008-03-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Specific recognition of RNA/DNA hybrid and enhancement of human RNase H1 activity by HBD.
Embo J., 27, 2008
1POG
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BU of 1pog by Molmil
SOLUTION STRUCTURE OF THE OCT-1 POU-HOMEO DOMAIN DETERMINED BY NMR AND RESTRAINED MOLECULAR DYNAMICS
分子名称: OCT-1 POU HOMEODOMAIN DNA-BINDING PROTEIN
著者Cox, M, Van Tilborg, P.J.A, De Laat, W, Boelens, R, Van Leeuwen, H.C, Van Der Vliet, P.C, Kaptein, R.
登録日1994-10-12
公開日1995-07-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the Oct-1 POU homeodomain determined by NMR and restrained molecular dynamics.
J.Biomol.NMR, 6, 1995
3C41
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BU of 3c41 by Molmil
ABC protein ArtP in complex with AMP-PNP/Mg2+
分子名称: Amino acid ABC transporter (ArtP), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Thaben, P.F, Eckey, V, Scheffel, F, Saenger, W, Schneider, E, Vahedi-Faridi, A.
登録日2008-01-29
公開日2009-02-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structures of the ATP-binding cassette (ABC) Protein ArtP from Geobacillus stearothermophilus in complexes with nucleotides and nucleotide analogs reveal an intermediate semiclosed dimer in the post hydrolyses state and an asymmetry in the dimerisation region
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件を2024-07-10に公開中

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