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PDB: 46130 件

8CGB
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Monkeypox virus VP39 in complex with SAH
分子名称: Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Silhan, J, Klima, M, Skvara, P, Boura, E.
登録日2023-02-03
公開日2023-04-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
8CEI
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BU of 8cei by Molmil
Succinyl-CoA Reductase from Clostridium kluyveri (SucD)
分子名称: Succinate-semialdehyde dehydrogenase (acetylating)
著者Pfister, P, Diehl, C, Erb, T.J.
登録日2023-02-02
公開日2023-05-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enhancing the Substrate Specificity of Clostridium Succinyl-CoA Reductase for Synthetic Biology and Biocatalysis.
Biochemistry, 62, 2023
4W68
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BU of 4w68 by Molmil
Cytoplasmically Produced Homodimeric Single Domain Antibody (sdAb) C22A/C99V variant against Staphylococcal enterotoxin B (SEB)
分子名称: SULFATE ION, Single domain antibody
著者George, J, Legler, P.M.
登録日2014-08-20
公開日2014-11-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and mutational analysis of a monomeric and dimeric form of a single domain antibody with implications for protein misfolding.
Proteins, 82, 2014
4W2F
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BU of 4w2f by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with amicoumacin, mRNA and three deacylated tRNAs in the A, P and E sites
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ...
著者Polikanov, Y.S, Osterman, I.A, Szal, T, Tashlitsky, V.N, Serebryakova, M.V, Kusochek, P, Bulkley, D, Malanicheva, I.A, Efimenko, T.A, Efremenkova, O.V, Konevega, A.L, Shaw, K.J, Bogdanov, A.A, Rodnina, M.V, Dontsova, O.A, Mankin, A.S, Steitz, T.A, Sergiev, P.V.
登録日2014-09-12
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome.
Mol.Cell, 56, 2014
6T62
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BU of 6t62 by Molmil
Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution
分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Vella, P, Schnell, R, Schneider, G.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6T6D
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BU of 6t6d by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149
分子名称: 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide, Activin receptor type I, SULFATE ION
著者Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2019-10-18
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
2IOD
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BU of 2iod by Molmil
Binding of two substrate analogue molecules to dihydroflavonol-4-reductase alters the functional geometry of the catalytic site
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Dihydroflavonol 4-reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Petit, P, Langlois d'Estaintot, B, Granier, T, Gallois, B.
登録日2006-10-10
公開日2007-09-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Binding of two substrate analogue molecules to dihydroflavonol-4-reductase alters the functional geometry of the catalytic site
To be Published
2IWV
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BU of 2iwv by Molmil
Structure of the monomeric outer membrane porin OmpG in the open and closed conformation
分子名称: CALCIUM ION, LAURYL DIMETHYLAMINE-N-OXIDE, OUTER MEMBRANE PROTEIN G, ...
著者Yildiz, O, Vinothkumar, K.R, Goswami, P, Kuehlbrandt, W.
登録日2006-07-04
公開日2006-08-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Monomeric Outer-Membrane Porin Ompg in the Open and Closed Conformation.
Embo J., 25, 2006
8CFA
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HK97 Prohead II as part of a DNA packaging complex
分子名称: Major capsid subunit
著者Hawkins, D.E.D.P, Antson, A.A.
登録日2023-02-03
公開日2023-05-24
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Insights into a viral motor: the structure of the HK97 packaging termination assembly.
Nucleic Acids Res., 51, 2023
8CEZ
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BU of 8cez by Molmil
HK97 Portal Protein In situ (prohead II)
分子名称: Portal protein
著者Hawkins, D.E.D.P, Antson, A.A.
登録日2023-02-02
公開日2023-05-24
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Insights into a viral motor: the structure of the HK97 packaging termination assembly.
Nucleic Acids Res., 51, 2023
2J5W
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BU of 2j5w by Molmil
Ceruloplasmin revisited: structural and functional roles of various metal cation binding sites
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CERULOPLASMIN, ...
著者Bento, I, Peixoto, C, Zaitsev, V.N, Lindley, P.F.
登録日2006-09-19
公開日2007-02-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ceruloplasmin Revisited: Structural and Functional Roles of Various Metal Cation-Binding Sites.
Acta Crystallogr.,Sect.D, 63, 2007
6T5M
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BU of 6t5m by Molmil
Crystal structure of 2-methylisocitrate lyase (PrpB) from Pseudomonas aeruginosa in complex with Mg(II)-pyruvate.
分子名称: 2-methylisocitrate lyase, MAGNESIUM ION, PYRUVIC ACID
著者Wijaya, A.J, Brear, P, Dolan, S.K, Welch, M.
登録日2019-10-16
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of 2-methylisocitrate lyase (PrpB) from Pseudomonas aeruginosa in complex with Mg(II)-pyruvate.
To Be Published
2IHD
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BU of 2ihd by Molmil
Crystal structure of Human Regulator of G-protein signaling 8, RGS8
分子名称: CHLORIDE ION, Regulator of G-protein signaling 8
著者Turnbull, A.P, Papagrigoriou, E, Ugochukwu, E, Salah, E, Gileadi, C, Burgess, N, Bhatia, C, Gileadi, O, Bray, J, Elkins, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2006-09-26
公開日2006-11-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4US7
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BU of 4us7 by Molmil
Sulfur SAD Phased Structure of a Type IV Pilus Protein from Shewanella oneidensis
分子名称: PILD PROCESSED PROTEIN, SODIUM ION, SULFATE ION
著者Gorgel, M, Boeggild, A, Ulstrup, J.J, Mueller, U, Weiss, M, Nissen, P, Boesen, T.
登録日2014-07-03
公開日2015-04-29
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献High-Resolution Structure of a Type Iv Pilin from the Metal- Reducing Bacterium Shewanella Oneidensis.
Bmc Struct.Biol., 15, 2015
4CKJ
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BU of 4ckj by Molmil
Crystal structure of RET tyrosine kinase domain bound to adenosine
分子名称: ADENOSINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
著者Plaza-Menacho, I, Barnouin, K, Goodman, K, Martinez-Torres, R.J, Borg, A, Murray-Rust, J, Mouilleron, S, Knowles, P, McDonald, N.Q.
登録日2014-01-06
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Oncogenic RET kinase domain mutations perturb the autophosphorylation trajectory by enhancing substrate presentation in trans.
Mol. Cell, 53, 2014
6TOP
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BU of 6top by Molmil
Structure of the PorE C-terminal domain, a protein of T9SS from Porphyromonas gingivalis
分子名称: GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA, OmpA family protein, SODIUM ION
著者Trinh, T.N, Cambillau, C, Roussel, A, Leone, P.
登録日2019-12-11
公開日2020-06-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of Type IX secretion system PorE C-terminal domain from Porphyromonas gingivalis in complex with a peptidoglycan fragment.
Sci Rep, 10, 2020
8CJ3
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BU of 8cj3 by Molmil
Urea-based foldamer inhibitor c3u_7 chimera in complex with ASF1 histone chaperone
分子名称: Histone chaperone ASF1A, c3u_7 chimera inhibitor of histone chaperone ASF1
著者Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G.
登録日2023-02-11
公開日2023-07-05
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
4D45
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BU of 4d45 by Molmil
Crystal structure of S. aureus FabI in complex with NADP and 5-bromo- 2-(4-chloro-2-hydroxyphenoxy)benzonitrile
分子名称: 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ...
著者Tareilus, M, Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C.
登録日2014-10-26
公開日2015-03-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction.
Biochemistry, 54, 2015
4CKR
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BU of 4ckr by Molmil
Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1
分子名称: 1,2-ETHANEDIOL, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1
著者Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Newman, J.A, Dixon-Clarke, S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2014-01-07
公開日2014-01-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor.
Acs Chem.Biol., 8, 2013
3NFF
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BU of 3nff by Molmil
Crystal structure of extended Dimerization module of RNA polymerase I subcomplex A49/A34.5
分子名称: RNA polymerase I subunit A34.5, RNA polymerase I subunit A49
著者Geiger, S.R, Lorenzen, K, Schreieck, A, Hanecker, P, Kostrewa, D, Heck, A.J.R, Cramer, P.
登録日2010-06-10
公開日2010-09-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献RNA Polymerase I Contains a TFIIF-Related DNA-Binding Subcomplex.
Mol.Cell, 39, 2010
6T7M
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BU of 6t7m by Molmil
Crystal structure of Salmonella typhimurium FabG at 2.65 A resolution
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase FabG
著者Vella, P, Schnell, R, Schneider, G.
登録日2019-10-22
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
4US4
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Crystal Structure of the Bacterial NSS Member MhsT in an Occluded Inward-Facing State (lipidic cubic phase form)
分子名称: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, SODIUM ION, ...
著者Malinauskaite, L, Quick, M, Reinhard, L, Lyons, J.A, Yano, H, Javitch, J.A, Nissen, P.
登録日2014-07-02
公開日2014-09-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Mechanism for Intracellular Release of Na+ by Neurotransmitter/Sodium Symporters
Nat.Struct.Mol.Biol., 21, 2014
4W2G
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BU of 4w2g by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with pactamycin (soaked), mRNA and three deacylated tRNAs in the A, P and E sites
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ...
著者Polikanov, Y.S, Osterman, I.A, Szal, T, Tashlitsky, V.N, Serebryakova, M.V, Kusochek, P, Bulkley, D, Malanicheva, I.A, Efimenko, T.A, Efremenkova, O.V, Konevega, A.L, Shaw, K.J, Bogdanov, A.A, Rodnina, M.V, Dontsova, O.A, Mankin, A.S, Steitz, T.A, Sergiev, P.V.
登録日2014-09-12
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome.
Mol.Cell, 56, 2014
2IWW
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BU of 2iww by Molmil
Structure of the monomeric outer membrane porin OmpG in the open and closed conformation
分子名称: LAURYL DIMETHYLAMINE-N-OXIDE, OUTER MEMBRANE PROTEIN G, beta-D-glucopyranose, ...
著者Yildiz, O, Vinothkumar, K.R, Goswami, P, Kuehlbrandt, W.
登録日2006-07-05
公開日2006-08-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the Monomeric Outer-Membrane Porin Ompg in the Open and Closed Conformation.
Embo J., 25, 2006
4CIN
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BU of 4cin by Molmil
Complex of Bcl-xL with its BH3 domain
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BCL-2-LIKE PROTEIN 1, ...
著者Colman, P.M, Lee, E.F, Fairlie, W.D.
登録日2013-12-12
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains
J.Biol.Chem., 289, 2014

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