7NWV
 
 | | Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY Tagged Cyclophellitol activity based probe | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol, 1,2-ETHANEDIOL, 1-deoxy-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rowland, R.J, Davies, G.J. | | Deposit date: | 2021-03-17 | | Release date: | 2022-03-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases.
Chem Sci, 14, 2023
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8J98
 | | A near-infrared fluorescent protein of de novo backbone design | | Descriptor: | 3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, FORMIC ACID, GLYCEROL, ... | | Authors: | Hu, X, Xu, Y. | | Deposit date: | 2023-05-02 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | De novo backbone design for monomerization of near-infrared fluorescent protein
To Be Published
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7VU3
 | | Chitoporin from Serratia marcescens in-complex with chitohexaose | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Amornloetwattana, R, Robinson, R.C, van den Berg, B, Suginta, W. | | Deposit date: | 2021-11-01 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Chitoporin from Serratia marcescens in-complex with chitohexaose
To Be Published
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7VU2
 | | Chitoporin from Serratia marcescens | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Amornloetwattana, R, Robinson, R.C, van den Berg, B, Suginta, W. | | Deposit date: | 2021-11-01 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Chitoporin from Serratia marcescens
To Be Published
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2AMT
 | | Structure of 2C-Methyl-D-Erythritol 2,4-Clycodiphosphate Synthase complexed with a CDP derived fluorescent inhibitor | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-O-[({[(2-{[(2-AMINOPHENYL)CARBONYL]OXY}ETHYL)OXY]PHOSPHINATO}OXY)PHOSPHINATO]CYTIDINE, GERANYL DIPHOSPHATE, ... | | Authors: | Ramsden, N.L, Hunter, W.N. | | Deposit date: | 2005-08-10 | | Release date: | 2006-02-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fluorescent Inhibitors for IspF, an Enzyme in the Non-Mevalonate Pathway for Isoprenoid Biosynthesis and a Potential Target for Antimalarial Therapy.
Angew.Chem.Int.Ed.Engl., 45, 2006
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2LDK
 | | Solution NMR Structure of Protein AAur_3427 from Arthrobacter aurescens, Northeast Structural Genomics Consortium Target AaR96 | | Descriptor: | Uncharacterized protein | | Authors: | Eletsky, A, Lee, H, Wang, D, Ciccosanti, C, Janjua, H, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-05-27 | | Release date: | 2011-06-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of Protein AAur_3427 from Arthrobacter aurescens, Northeast Structural Genomics Consortium Target AaR96
To be Published
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2MHE
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2J5I
 | | Crystal Structure of Hydroxycinnamoyl-CoA Hydratase-Lyase | | Descriptor: | P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | | Authors: | Leonard, P.M, Brzozowski, A.M, Lebedev, A, Marshall, C.M, Smith, D.J, Verma, C.S, Walton, N.J, Grogan, G. | | Deposit date: | 2006-09-18 | | Release date: | 2006-12-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The 1.8 A Resolution Structure of Hydroxycinnamoyl- Coenzyme a Hydratase-Lyase (Hchl) from Pseudomonas Fluorescens, an Enzyme that Catalyses the Transformation of Feruloyl-Coenzyme a to Vanillin.
Acta Crystallogr.,Sect.D, 62, 2006
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1OAJ
 | | Active site copper and zinc ions modulate the quaternary structure of prokaryotic Cu,Zn superoxide dismutase | | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Cioni, P, Pesce, A, Rocca, B.M.D, Castelli, S, Falconi, M, Parrilli, L, Bolognesi, M, Strambini, G, Desideri, A. | | Deposit date: | 2003-01-14 | | Release date: | 2003-02-27 | | Last modified: | 2019-03-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Active-Site Copper and Zinc Ions Modulate the Quaternary Structure of Prokaryotic Cu,Zn Superoxide Dismutase
J.Mol.Biol., 326, 2003
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6YXB
 | | Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148K variant (space group P21) | | Descriptor: | FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase, SULFATE ION | | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | | Deposit date: | 2020-04-30 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins.
J.Biol.Chem., 296, 2021
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6YX6
 | | Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148K variant (no morpholine) | | Descriptor: | FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase, SULFATE ION | | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | | Deposit date: | 2020-04-30 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins.
J.Biol.Chem., 296, 2021
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6YX4
 | | Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148K variant with morpholine | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase, ... | | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | | Deposit date: | 2020-04-30 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins.
J.Biol.Chem., 296, 2021
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7AB7
 | | Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) I52T Q148K variant | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase, ... | | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | | Deposit date: | 2020-09-06 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins.
J.Biol.Chem., 296, 2021
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7AB6
 | | Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) I52T variant | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase, ... | | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | | Deposit date: | 2020-09-06 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins.
J.Biol.Chem., 296, 2021
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1OAL
 | | Active site copper and zinc ions modulate the quaternary structure of prokaryotic Cu,Zn superoxide dismutase | | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Cioni, P, Pesce, A, Rocca, B.M.D, Castellifalconiparrilli, L, Bolognesi, M, Strambini, G, Desideri, A. | | Deposit date: | 2003-01-15 | | Release date: | 2003-02-27 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Active-Site Copper and Zinc Ions Modulate the Quaternary Structure of Prokaryotic Cu,Zn Superoxide Dismutase
J.Mol.Biol., 326, 2003
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1B0B
 | | HEMOGLOBIN I FROM THE CLAM LUCINA PECTINATA, CYANIDE COMPLEX AT 100 KELVIN | | Descriptor: | CYANIDE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Rosano, C, Rizzi, M, Ascenzi, P, Bolognesi, M. | | Deposit date: | 1998-11-06 | | Release date: | 2000-02-18 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Cyanide binding to Lucina pectinata hemoglobin I and to sperm whale myoglobin: an x-ray crystallographic study.
Biophys.J., 77, 1999
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4E3Y
 | | X-ray structure of the Serratia marcescens endonuclease at 0.95 A resolution | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Lashkov, A.A, Balaev, V.V, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M. | | Deposit date: | 2012-03-11 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | X-ray structure of the Serratia marcescens endonuclease at 0.95 A resolution
To be Published
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2LR2
 | | Designed IgG and lanthanide binding probe for solution NMR, MRI and luminescence microscopy | | Descriptor: | Immunoglobulin G-binding protein A | | Authors: | Barb, A.W, Ho, T.G, Prestegard, J.H. | | Deposit date: | 2012-03-21 | | Release date: | 2012-09-12 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Lanthanide binding and IgG affinity construct: Potential applications in solution NMR, MRI, and luminescence microscopy.
Protein Sci., 21, 2012
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2JUN
 | | Structure of the MID1 tandem B-boxes reveals an interaction reminiscent of intermolecular RING heterodimers | | Descriptor: | Midline-1, ZINC ION | | Authors: | Tao, H, Singireddy, S, Jakkidi, M, Simmons, B.N, Short, K.M, Cox, T.C, Massiah, M.A. | | Deposit date: | 2007-08-31 | | Release date: | 2008-03-04 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of the MID1 Tandem B-Boxes Reveals an Interaction Reminiscent of Intermolecular Ring Heterodimers
Biochemistry, 47, 2008
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6QR4
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 5-azanyl-3-[1-[[(2~{R})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-19 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Development of Inhibitors against Mycobacterium abscessus tRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
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6XXC
 | | Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 4 | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Estrogen Related Receptor gamma phosphopeptide, ... | | Authors: | Somsen, B.A, Ottmann, C. | | Deposit date: | 2020-01-27 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
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6Y3W
 | | Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 1 | | Descriptor: | 14-3-3 protein sigma, 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... | | Authors: | Somsen, B.A, Ottmann, C. | | Deposit date: | 2020-02-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
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6XY5
 | | Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 5 | | Descriptor: | 14-3-3 protein sigma, 3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... | | Authors: | Somsen, B.A, Ottmann, C. | | Deposit date: | 2020-01-29 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
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6QRB
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 5-azanyl-3-[1-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-19 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Development of Inhibitors against Mycobacterium abscessus tRNA (m 1 G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
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6QR0
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-19 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Development of Inhibitors against Mycobacterium abscessus tRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
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