4XCR
 
 | | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, mutant I35A | | Descriptor: | Superoxide dismutase [Cu-Zn] | | Authors: | Wang, H, Logan, D.T, Danielsson, J, Mu, X, Binolfi, A, Theillet, F, Bekei, B, Lang, L, Wennerstrom, H, Selenko, P, Oliveberg, M. | | Deposit date: | 2014-12-18 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.602 Å) | | Cite: | Thermodynamics of protein destabilization in live cells.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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2YBG
 | | Structure of Lys120-acetylated p53 core domain | | Descriptor: | CELLULAR TUMOR ANTIGEN P53, ZINC ION | | Authors: | Arbely, E, Allen, M.D, Joerger, A.C, Fersht, A.R. | | Deposit date: | 2011-03-08 | | Release date: | 2011-05-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Acetylation of Lysine 120 of P53 Endows DNA- Binding Specificity at Effective Physiological Salt Concentration.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5IJD
 | | The crystal structure of mouse TLR4/MD-2/lipid A complex | | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | | Deposit date: | 2016-03-01 | | Release date: | 2016-04-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1F0P
 | | MYCOBACTERIUM TUBERCULOSIS ANTIGEN 85B WITH TREHALOSE | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ANTIGEN 85-B, ... | | Authors: | Anderson, D.H, Harth, G, Horwitz, M.A, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2000-05-16 | | Release date: | 2001-01-24 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An interfacial mechanism and a class of inhibitors inferred from two crystal structures of the Mycobacterium tuberculosis 30 kDa major secretory protein (Antigen 85B), a mycolyl transferase.
J.Mol.Biol., 307, 2001
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1F21
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1F1A
 | | Crystal structure of yeast H48Q cuznsod fals mutant analog | | Descriptor: | COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D. | | Deposit date: | 2000-05-18 | | Release date: | 2002-12-18 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
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7NCY
 | | Dual specificity phosphatase from Sulfolobales Beppu filamentous virus 3 | | Descriptor: | Dual specificity phosphatase, GLYCEROL, NICKEL (II) ION | | Authors: | Welin, M, Akutsu, M, Hakansson, M, Al-Karadaghi, S, Jasilionis, A, Nordberg Karlsson, E. | | Deposit date: | 2021-01-29 | | Release date: | 2022-03-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dual specificity phosphatase from Sulfolobales Beppu filamentous virus 3
To Be Published
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5IQF
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4XQR
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4XGL
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4XR0
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1F0N
 | | MYCOBACTERIUM TUBERCULOSIS ANTIGEN 85B | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ANTIGEN 85B | | Authors: | Anderson, D.H, Harth, G, Horwitz, M.A, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2000-05-16 | | Release date: | 2001-01-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An interfacial mechanism and a class of inhibitors inferred from two crystal structures of the Mycobacterium tuberculosis 30 kDa major secretory protein (Antigen 85B), a mycolyl transferase.
J.Mol.Biol., 307, 2001
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7NAI
 | | Crystal structure of the TIR domain from human SARM1 in complex with 3AD | | Descriptor: | Sterile alpha and TIR motif-containing protein 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Shi, Y, Ve, T. | | Deposit date: | 2021-06-21 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
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5EYR
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 5 at 1.57A resolution | | Descriptor: | 3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one, EthR | | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | | Deposit date: | 2015-11-25 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
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7NAK
 | | Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (TIR:1AD) | | Descriptor: | NAD(+) hydrolase SARM1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Kerry, P.S, Nanson, J.D, Adams, S, Cunnea, K, Bosanac, T, Kobe, B, Hughes, R.O, Ve, T. | | Deposit date: | 2021-06-21 | | Release date: | 2022-03-23 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
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5EZG
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 22 at 1.84A resolution | | Descriptor: | HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide | | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | | Deposit date: | 2015-11-26 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
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7NAG
 | | Crystal structure of the TIR domain from human SARM1 in complex with 1AD | | Descriptor: | Sterile alpha and TIR motif-containing protein 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Shi, Y, Bosanac, T, Hughes, R.O, Ve, T. | | Deposit date: | 2021-06-21 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
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2BNG
 | | Structure of an M.tuberculosis LEH-like epoxide hydrolase | | Descriptor: | CALCIUM ION, MB2760 | | Authors: | Johansson, P, Arand, M, Unge, T, Bergfors, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2005-03-24 | | Release date: | 2005-08-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of an Atypical Epoxide Hydrolase from Mycobacterium Tuberculosis Gives Insights Into its Function.
J.Mol.Biol., 351, 2005
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1F1D
 | | Crystal structure of yeast H46C cuznsod mutant | | Descriptor: | COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D. | | Deposit date: | 2000-05-18 | | Release date: | 2002-12-18 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
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7NAH
 | | Crystal structure of the TIR domain from human SARM1 in complex with 2AD | | Descriptor: | Sterile alpha and TIR motif-containing protein 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{H}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Shi, Y, Ve, T. | | Deposit date: | 2021-06-21 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
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5F08
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium tuberculosis in complex with compound 14 at 1.92A resolution | | Descriptor: | HTH-type transcriptional regulator EthR, ~{tert}-butyl ~{N}-methyl-~{N}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate | | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | | Deposit date: | 2015-11-27 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
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2BQZ
 | | Crystal structure of a ternary complex of the human histone methyltransferase Pr-SET7 (also known as SET8) | | Descriptor: | HISTONE H4, S-ADENOSYL-L-HOMOCYSTEINE, SET8 PROTEIN | | Authors: | Xiao, B, Jing, C, Kelly, G, Walker, P.A, Muskett, F.W, Frenkiel, T.A, Martin, S.R, Sarma, K, Reinberg, D, Gamblin, S.J, Wilson, J.R. | | Deposit date: | 2005-04-28 | | Release date: | 2005-06-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Specificity and Mechanism of the Histone Methyltransferase Pr-Set7
Genes Dev., 19, 2005
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7NAJ
 | | Crystal structure of the TIR domain from human SARM1 in complex with ara-2'F-ADPR | | Descriptor: | 1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol, Sterile alpha and TIR motif-containing protein 1 | | Authors: | Shi, Y, Ve, T. | | Deposit date: | 2021-06-21 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
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1F3G
 | | THREE-DIMENSIONAL STRUCTURE OF THE ESCHERICHIA COLI PHOSPHOCARRIER PROTEIN III GLC | | Descriptor: | GLUCOSE-SPECIFIC PHOSPHOCARRIER PROTEIN IIAGLC | | Authors: | Worthylake, D, Meadow, N, Roseman, S, Liao, D.-I, Herzberg, O, Remington, S.J. | | Deposit date: | 1991-08-28 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Three-dimensional structure of the Escherichia coli phosphocarrier protein IIIglc.
Proc.Natl.Acad.Sci.USA, 88, 1991
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7NAL
 | | Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (ARM and SAM domains) | | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NAD(+) hydrolase SARM1 | | Authors: | Kerry, P.S, Nanson, J.D, Adams, S, Cunnea, K, Bosanac, T, Kobe, B, Hughes, R.O, Ve, T. | | Deposit date: | 2021-06-21 | | Release date: | 2022-03-23 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
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