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PDB: 2547 件

4KW5
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BU of 4kw5 by Molmil
M. tuberculosis DprE1 in complex with inhibitor TCA1
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, IMIDAZOLE, ...
著者Batt, S.M, Besra, G.S, Futterer, K.
登録日2013-05-23
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.612 Å)
主引用文献Identification of a small molecule with activity against drug-resistant and persistent tuberculosis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3B55
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BU of 3b55 by Molmil
Crystal structure of the Q81BN2_BACCR protein from Bacillus cereus. NESG target BcR135
分子名称: CALCIUM ION, Succinoglycan biosynthesis protein
著者Vorobiev, S.M, Chen, Y, Kuzin, A.P, Seetharaman, J, Wang, H, Cunningham, K, Owens, L, Maglaqui, M, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-10-25
公開日2007-11-06
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the Q81BN2_BACCR protein from Bacillus cereus.
To be Published
3BF2
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BU of 3bf2 by Molmil
Crystal structure of the A1KSW9_NEIMF protein from Neisseria meningitidis. Northeast Structural Genomics Consortium target MR36a
分子名称: Putative lipoprotein
著者Vorobiev, S.M, Abashidze, M, Seetharaman, J, Cunningham, K, Maglaqui, M, Owens, L, Fang, Y, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-11-20
公開日2007-12-04
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the A1KSW9_NEIMF protein from Neisseria meningitidis.
To be Published
7NPO
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BU of 7npo by Molmil
Branched K48-K63-Ub3
分子名称: GLYCEROL, Polyubiquitin-B
著者Lange, S.M, Kwasna, D, Kulathu, Y.
登録日2021-02-27
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Branched Lys48-Lys63-linked triubiquitin
To be published
7NBB
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BU of 7nbb by Molmil
Branched Lys48- and Lys63-linked tri-ubiquitin (K48-K63-Ub3) in complex with synthetic nanobody NbSL3
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Lange, S.M, Kulathu, Y.
登録日2021-01-26
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Branched Lys48- and Lys63-linked tri-ubiquitin (K48-K63-Ub3) in complex with synthetic nanobody NbSL3
To Be Published
6VKV
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BU of 6vkv by Molmil
Co-crystal structure of GS-6207 bound to HIV-1 capsid hexamer
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2020-01-22
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural and mechanistic bases for a potent HIV-1 capsid inhibitor.
Science, 370, 2020
5EJX
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BU of 5ejx by Molmil
X-ray Free Electron Laser Structure of Cytochrome C Peroxidase
分子名称: Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ...
著者Doukov, T, Soltis, S.M, Baxter, E.L, Cohen, A, Song, J, McPhillips, S, Poulos, T.L, Meharenna, Y.T, Chreifi, G.
登録日2015-11-02
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the pristine peroxidase ferryl center and its relevance to proton-coupled electron transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
3DCP
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BU of 3dcp by Molmil
Crystal structure of the putative histidinol phosphatase hisK from Listeria monocytogenes. Northeast Structural Genomics Consortium target LmR141.
分子名称: FE (III) ION, Histidinol-phosphatase, ZINC ION
著者Vorobiev, S.M, Su, M, Seetharaman, J, Zhao, L, Mao, L, Foote, E.L, Xiao, R, Nair, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-06-04
公開日2008-07-29
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the putative histidinol phosphatase hisK from Listeria monocytogenes.
To be Published
5EE7
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BU of 5ee7 by Molmil
Crystal structure of the human glucagon receptor (GCGR) in complex with the antagonist MK-0893
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3-[[4-[(1~{S})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid, Glucagon receptor,Endolysin,Glucagon receptor, ...
著者Jazayeri, A, Dore, A.S, Lamb, D, Krishnamurthy, H, Southall, S.M, Baig, A.H, Bortolato, A, Koglin, M, Robertson, N.J, Errey, J.C, Andrews, S.P, Brown, A.J.H, Cooke, R.M, Weir, M, Marshall, F.H.
登録日2015-10-22
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Extra-helical binding site of a glucagon receptor antagonist.
Nature, 533, 2016
2XRD
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BU of 2xrd by Molmil
Structure of the N-terminal four domains of the complement regulator Rat Crry
分子名称: COMPLEMENT REGULATORY PROTEIN CRRY
著者Leath, K.J, Roversi, P, Johnson, S, Morgan, B.P, Lea, S.M.
登録日2010-09-14
公開日2011-06-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structures of the Rat Complement Regulator Crry.
Acta Crystallogr.,Sect.F, 67, 2011
7KJG
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BU of 7kjg by Molmil
F96M epi-isozizaene synthase: complex with 3 Mg2+ and BTAC
分子名称: GLYCEROL, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ...
著者Ronnebaum, T.A, Gardner, S.M, Christianson, D.W.
登録日2020-10-26
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
2XX2
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BU of 2xx2 by Molmil
Macrolactone Inhibitor bound to HSP90 N-term
分子名称: (5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL
著者Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M.
登録日2010-11-08
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies.
Acs Chem.Biol., 6, 2011
5EFU
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BU of 5efu by Molmil
Resting state of rat cysteine dioxygenase H155Q variant
分子名称: Cysteine dioxygenase type 1, FE (II) ION
著者Fellner, M, Tchesnokov, E.P, Jameson, G.N.L, Wilbanks, S.M.
登録日2015-10-26
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Resting state of rat cysteine dioxygenase H155Q variant
To be published
3DJB
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BU of 3djb by Molmil
Crystal structure of a HD-superfamily hydrolase (BT9727_1981) from Bacillus thuringiensis, Northeast Structural Genomics Consortium Target BuR114
分子名称: Hydrolase, HD family, MAGNESIUM ION
著者Forouhar, F, Su, M, Seetharaman, J, Vorobiev, S.M, Janjua, H, Fang, Y, Xiao, R, Cunningham, K, Maglaqui, M, Owen, L.A, Wang, D, Baran, M.C, Liu, J, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2008-06-23
公開日2008-08-19
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of a HD-superfamily hydrolase (BT9727_1981) from Bacillus thuringiensis, Northeast Structural Genomics Consortium Target BuR114
To be Published
2XRB
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BU of 2xrb by Molmil
Structure of the N-terminal four domains of the complement regulator Rat Crry
分子名称: 1,2-ETHANEDIOL, COMPLEMENT REGULATORY PROTEIN CRRY, SULFATE ION
著者Leath, K.J, Roversi, P, Johnson, S, Morgan, B.P, Lea, S.M.
登録日2010-09-13
公開日2011-06-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of the Rat Complement Regulator Crry.
Acta Crystallogr.,Sect.F, 67, 2011
3DHN
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BU of 3dhn by Molmil
Crystal structure of the putative epimerase Q89Z24_BACTN from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium target BtR310.
分子名称: NAD-dependent epimerase/dehydratase
著者Vorobiev, S.M, Su, M, Seetharaman, J, Wang, D, Ciccosanti, C, Foote, L.E, Janjua, H, Xiao, R, Acton, T, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2008-06-18
公開日2008-08-12
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the putative epimerase Q89Z24_BACTN from Bacteroides thetaiotaomicron.
To be Published
4LPA
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BU of 4lpa by Molmil
Crystal structure of a Cdc6 phosphopeptide in complex with Cks1
分子名称: Cyclin-dependent kinases regulatory subunit
著者McGrath, D.A, Balog, E.R.M, Koivomagi, M, Lucena, R, Mai, M.V, Hirschi, A, Kellogg, D.R, Loog, M, Rubin, S.M.
登録日2013-07-15
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Cks confers specificity to phosphorylation-dependent CDK signaling pathways.
Nat.Struct.Mol.Biol., 20, 2013
4LTN
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BU of 4ltn by Molmil
Crystal structures of NADH:FMN oxidoreductase (EMOB) - FMN, NADH complex
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, NADH-dependent FMN reductase, ...
著者Nissen, M.S, Youn, B, Knowles, B.D, Ballinger, J.W, Jun, S, Belchik, S.M, Xun, L, Kang, C.
登録日2013-07-23
公開日2013-08-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Crystal structures of NADH:FMN oxidoreductase (EmoB) at different stages of catalysis.
J.Biol.Chem., 283, 2008
5EBB
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BU of 5ebb by Molmil
Structure of human sphingomyelinase phosphodiesterase like 3A (SMPDL3A) with Zn2+
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3a, GLYCEROL, ...
著者Lim, S.M, Yeung, K, Tresaugues, L, Teo, H.L, Nordlund, P.
登録日2015-10-19
公開日2016-01-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structure and catalytic mechanism of human sphingomyelin phosphodiesterase like 3a - an acid sphingomyelinase homologue with a novel nucleotide hydrolase activity.
Febs J., 283, 2016
4M33
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BU of 4m33 by Molmil
Crystal structure of gated-pore mutant H141D of second DNA-Binding protein under starvation from Mycobacterium smegmatis
分子名称: CHLORIDE ION, FE (II) ION, MAGNESIUM ION, ...
著者Williams, S.M, Chandran, A.V, Vijayabaskar, M.S, Roy, S, Balaram, H, Vishveshwara, S, Vijayan, M, Chatterji, D.
登録日2013-08-06
公開日2014-03-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献A histidine aspartate ionic lock gates the iron passage in miniferritins from Mycobacterium smegmatis
J.Biol.Chem., 289, 2014
5H46
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BU of 5h46 by Molmil
Mycobacterium smegmatis Dps1 mutant - F47E
分子名称: DNA protection during starvation protein, FE (II) ION
著者Williams, S.M, Chandran, A.V, Vijayan, M, Chatterji, D.
登録日2016-10-31
公開日2017-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A Mutation Directs the Structural Switch of DNA Binding Proteins under Starvation to a Ferritin-like Protein Cage.
Structure, 25, 2017
7OA5
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BU of 7oa5 by Molmil
RUVA COMPLEXED TO A HOLLIDAY JUNCTION.
分子名称: CALCIUM ION, DNA (5'-D(*AP*GP*TP*TP*CP*GP*CP*GP*AP*GP*TP*TP*CP*GP*C)-3'), DNA (5'-D(*AP*GP*TP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*AP*CP*T)-3'), ...
著者Roe, S.M, Pearl, L.H.
登録日2021-04-19
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.378 Å)
主引用文献Crystal structure of an octameric RuvA-Holliday junction complex
Molecular Cell, 2, 1998
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
4JSA
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BU of 4jsa by Molmil
Benzenesulfonamide complexed with hCAII H94D
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, SULFATE ION, ...
著者Martin, D.P, Hann, Z.S, Cohen, S.M.
登録日2013-03-22
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52, 2013
7KJD
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BU of 7kjd by Molmil
F96M epi-isozizaene synthase: complex with 3 Mg2+ and risedronate
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, MAGNESIUM ION, SULFATE ION, ...
著者Ronnebaum, T.A, Gardner, S.M, Christianson, D.W.
登録日2020-10-26
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020

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