4KW5
 
 | | M. tuberculosis DprE1 in complex with inhibitor TCA1 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, IMIDAZOLE, ... | | Authors: | Batt, S.M, Besra, G.S, Futterer, K. | | Deposit date: | 2013-05-23 | | Release date: | 2013-07-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.612 Å) | | Cite: | Identification of a small molecule with activity against drug-resistant and persistent tuberculosis.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3B55
 | | Crystal structure of the Q81BN2_BACCR protein from Bacillus cereus. NESG target BcR135 | | Descriptor: | CALCIUM ION, Succinoglycan biosynthesis protein | | Authors: | 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) | | Deposit date: | 2007-10-25 | | Release date: | 2007-11-06 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the Q81BN2_BACCR protein from Bacillus cereus.
To be Published
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3BF2
 | | Crystal structure of the A1KSW9_NEIMF protein from Neisseria meningitidis. Northeast Structural Genomics Consortium target MR36a | | Descriptor: | Putative lipoprotein | | Authors: | 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) | | Deposit date: | 2007-11-20 | | Release date: | 2007-12-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the A1KSW9_NEIMF protein from Neisseria meningitidis.
To be Published
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7NPO
 | | Branched K48-K63-Ub3 | | Descriptor: | GLYCEROL, Polyubiquitin-B | | Authors: | Lange, S.M, Kwasna, D, Kulathu, Y. | | Deposit date: | 2021-02-27 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Branched Lys48-Lys63-linked triubiquitin
To be published
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7NBB
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6VKV
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5EJX
 | | X-ray Free Electron Laser Structure of Cytochrome C Peroxidase | | Descriptor: | Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ... | | Authors: | Doukov, T, Soltis, S.M, Baxter, E.L, Cohen, A, Song, J, McPhillips, S, Poulos, T.L, Meharenna, Y.T, Chreifi, G. | | Deposit date: | 2015-11-02 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the pristine peroxidase ferryl center and its relevance to proton-coupled electron transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3DCP
 | | Crystal structure of the putative histidinol phosphatase hisK from Listeria monocytogenes. Northeast Structural Genomics Consortium target LmR141. | | Descriptor: | FE (III) ION, Histidinol-phosphatase, ZINC ION | | Authors: | 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) | | Deposit date: | 2008-06-04 | | Release date: | 2008-07-29 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the putative histidinol phosphatase hisK from Listeria monocytogenes.
To be Published
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5EE7
 | | Crystal structure of the human glucagon receptor (GCGR) in complex with the antagonist MK-0893 | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2015-10-22 | | Release date: | 2016-04-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Extra-helical binding site of a glucagon receptor antagonist.
Nature, 533, 2016
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2XRD
 | | Structure of the N-terminal four domains of the complement regulator Rat Crry | | Descriptor: | COMPLEMENT REGULATORY PROTEIN CRRY | | Authors: | Leath, K.J, Roversi, P, Johnson, S, Morgan, B.P, Lea, S.M. | | Deposit date: | 2010-09-14 | | Release date: | 2011-06-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structures of the Rat Complement Regulator Crry.
Acta Crystallogr.,Sect.F, 67, 2011
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7KJG
 | | F96M epi-isozizaene synthase: complex with 3 Mg2+ and BTAC | | Descriptor: | GLYCEROL, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | | Authors: | Ronnebaum, T.A, Gardner, S.M, Christianson, D.W. | | Deposit date: | 2020-10-26 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | 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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2XX2
 | | Macrolactone Inhibitor bound to HSP90 N-term | | Descriptor: | (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 | | Authors: | Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M. | | Deposit date: | 2010-11-08 | | Release date: | 2011-11-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies.
Acs Chem.Biol., 6, 2011
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5EFU
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3DJB
 | | Crystal structure of a HD-superfamily hydrolase (BT9727_1981) from Bacillus thuringiensis, Northeast Structural Genomics Consortium Target BuR114 | | Descriptor: | Hydrolase, HD family, MAGNESIUM ION | | Authors: | 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) | | Deposit date: | 2008-06-23 | | Release date: | 2008-08-19 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of a HD-superfamily hydrolase (BT9727_1981) from Bacillus thuringiensis, Northeast Structural Genomics Consortium Target BuR114
To be Published
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2XRB
 | | Structure of the N-terminal four domains of the complement regulator Rat Crry | | Descriptor: | 1,2-ETHANEDIOL, COMPLEMENT REGULATORY PROTEIN CRRY, SULFATE ION | | Authors: | Leath, K.J, Roversi, P, Johnson, S, Morgan, B.P, Lea, S.M. | | Deposit date: | 2010-09-13 | | Release date: | 2011-06-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of the Rat Complement Regulator Crry.
Acta Crystallogr.,Sect.F, 67, 2011
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3DHN
 | | Crystal structure of the putative epimerase Q89Z24_BACTN from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium target BtR310. | | Descriptor: | NAD-dependent epimerase/dehydratase | | Authors: | 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) | | Deposit date: | 2008-06-18 | | Release date: | 2008-08-12 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the putative epimerase Q89Z24_BACTN from Bacteroides thetaiotaomicron.
To be Published
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4LPA
 | | Crystal structure of a Cdc6 phosphopeptide in complex with Cks1 | | Descriptor: | Cyclin-dependent kinases regulatory subunit | | Authors: | McGrath, D.A, Balog, E.R.M, Koivomagi, M, Lucena, R, Mai, M.V, Hirschi, A, Kellogg, D.R, Loog, M, Rubin, S.M. | | Deposit date: | 2013-07-15 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Cks confers specificity to phosphorylation-dependent CDK signaling pathways.
Nat.Struct.Mol.Biol., 20, 2013
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4LTN
 | | Crystal structures of NADH:FMN oxidoreductase (EMOB) - FMN, NADH complex | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, NADH-dependent FMN reductase, ... | | Authors: | Nissen, M.S, Youn, B, Knowles, B.D, Ballinger, J.W, Jun, S, Belchik, S.M, Xun, L, Kang, C. | | Deposit date: | 2013-07-23 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | Crystal structures of NADH:FMN oxidoreductase (EmoB) at different stages of catalysis.
J.Biol.Chem., 283, 2008
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5EBB
 | | Structure of human sphingomyelinase phosphodiesterase like 3A (SMPDL3A) with Zn2+ | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3a, GLYCEROL, ... | | Authors: | Lim, S.M, Yeung, K, Tresaugues, L, Teo, H.L, Nordlund, P. | | Deposit date: | 2015-10-19 | | Release date: | 2016-01-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 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
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4M33
 | | Crystal structure of gated-pore mutant H141D of second DNA-Binding protein under starvation from Mycobacterium smegmatis | | Descriptor: | CHLORIDE ION, FE (II) ION, MAGNESIUM ION, ... | | Authors: | Williams, S.M, Chandran, A.V, Vijayabaskar, M.S, Roy, S, Balaram, H, Vishveshwara, S, Vijayan, M, Chatterji, D. | | Deposit date: | 2013-08-06 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | A histidine aspartate ionic lock gates the iron passage in miniferritins from Mycobacterium smegmatis
J.Biol.Chem., 289, 2014
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5H46
 | | Mycobacterium smegmatis Dps1 mutant - F47E | | Descriptor: | DNA protection during starvation protein, FE (II) ION | | Authors: | Williams, S.M, Chandran, A.V, Vijayan, M, Chatterji, D. | | Deposit date: | 2016-10-31 | | Release date: | 2017-09-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A Mutation Directs the Structural Switch of DNA Binding Proteins under Starvation to a Ferritin-like Protein Cage.
Structure, 25, 2017
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7OA5
 | | RUVA COMPLEXED TO A HOLLIDAY JUNCTION. | | Descriptor: | 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'), ... | | Authors: | Roe, S.M, Pearl, L.H. | | Deposit date: | 2021-04-19 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.378 Å) | | Cite: | Crystal structure of an octameric RuvA-Holliday junction complex
Molecular Cell, 2, 1998
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3BSU
 | | Hybrid-binding domain of human RNase H1 in complex with 12-mer RNA/DNA | | Descriptor: | 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'), ... | | Authors: | Nowotny, M, Cerritelli, S.M, Ghirlando, R, Gaidamakov, S.A, Crouch, R.J, Yang, W. | | Deposit date: | 2007-12-26 | | Release date: | 2008-03-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Specific recognition of RNA/DNA hybrid and enhancement of human RNase H1 activity by HBD.
Embo J., 27, 2008
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4JSA
 | | Benzenesulfonamide complexed with hCAII H94D | | Descriptor: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, SULFATE ION, ... | | Authors: | Martin, D.P, Hann, Z.S, Cohen, S.M. | | Deposit date: | 2013-03-22 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52, 2013
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7KJD
 | | F96M epi-isozizaene synthase: complex with 3 Mg2+ and risedronate | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Ronnebaum, T.A, Gardner, S.M, Christianson, D.W. | | Deposit date: | 2020-10-26 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 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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