6GMB
 
 | | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, GLYCOLIC ACID, ... | | Authors: | MacKinnon, S, Bezerra, G.A, Krojer, T, Smee, C, Arrowsmith, C.H, Edwards, E, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-05-24 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate
To Be Published
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5AMF
 | | Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment Ethyl 4,5,6,7- tetrahydro-1H-indazole-5-carboxylate (SGC - Diamond I04-1 fragment screening) | | Descriptor: | BROMODOMAIN-CONTAINING PROTEIN 1, ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE, SODIUM ION | | Authors: | Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F. | | Deposit date: | 2015-03-10 | | Release date: | 2015-03-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment Ethyl 4,5,6,7-Tetrahydro-1H-Indazole-5-Carboxylate
To be Published
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5AME
 | | Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment 4-acetyl- piperazin-2-one (SGC - Diamond I04-1 fragment screening) | | Descriptor: | 4-acetyl-piperazin-2-one, BROMODOMAIN-CONTAINING PROTEIN 1, SODIUM ION | | Authors: | Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F. | | Deposit date: | 2015-03-10 | | Release date: | 2015-03-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.578 Å) | | Cite: | Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One
To be Published
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1ZEG
 | | STRUCTURE OF B28 ASP INSULIN IN COMPLEX WITH PHENOL | | Descriptor: | CHLORIDE ION, INSULIN, PHENOL, ... | | Authors: | Whittingham, J.L, Edwards, E.J, Antson, A.A, Clarkson, J.M, Dodson, G.G. | | Deposit date: | 1998-05-01 | | Release date: | 1998-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Interactions of phenol and m-cresol in the insulin hexamer, and their effect on the association properties of B28 pro --> Asp insulin analogues.
Biochemistry, 37, 1998
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1ZEI
 | | CROSS-LINKED B28 ASP INSULIN | | Descriptor: | CHLORIDE ION, INSULIN, M-CRESOL, ... | | Authors: | Whittingham, J.L, Edwards, E.J, Antson, A.A, Clarkson, J.M, Dodson, G.G. | | Deposit date: | 1998-07-14 | | Release date: | 1999-02-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Interactions of phenol and m-cresol in the insulin hexamer, and their effect on the association properties of B28 pro --> Asp insulin analogues.
Biochemistry, 37, 1998
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1ZEH
 | | STRUCTURE OF INSULIN | | Descriptor: | CHLORIDE ION, INSULIN, M-CRESOL, ... | | Authors: | Whittingham, J.L, Edwards, E.J, Antson, A.A, Clarkson, J.M, Dodson, G.G. | | Deposit date: | 1998-05-01 | | Release date: | 1998-12-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Interactions of phenol and m-cresol in the insulin hexamer, and their effect on the association properties of B28 pro --> Asp insulin analogues.
Biochemistry, 37, 1998
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5HR3
 | | Crystal structure of thioredoxin N106A mutant | | Descriptor: | COPPER (II) ION, ETHANOL, SULFATE ION, ... | | Authors: | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | | Deposit date: | 2016-01-22 | | Release date: | 2017-02-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.101 Å) | | Cite: | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
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5HR0
 | | Crystal structure of thioredoxin E101G mutant | | Descriptor: | COPPER (II) ION, Thioredoxin | | Authors: | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | | Deposit date: | 2016-01-22 | | Release date: | 2017-02-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
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5HR1
 | | Crystal structure of thioredoxin L107A mutant | | Descriptor: | COPPER (II) ION, Thioredoxin-1 | | Authors: | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | | Deposit date: | 2016-01-22 | | Release date: | 2017-02-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.144 Å) | | Cite: | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
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3R3U
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/apo | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, NICKEL (II) ION | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3R41
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/apo | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-17 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3R3W
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ... | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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5HR2
 | | Crystal structure of thioredoxin L94A mutant | | Descriptor: | COPPER (II) ION, Thioredoxin | | Authors: | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | | Deposit date: | 2016-01-22 | | Release date: | 2017-02-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
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3R3Z
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/Glycolate | | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID, NICKEL (II) ION | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3R3Y
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3R40
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/apo | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3R3X
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Bromoacetate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ... | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3R3V
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Fluoroacetate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ... | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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2A9U
 | | Structure of the N-terminal domain of Human Ubiquitin carboxyl-terminal hydrolase 8 (USP8) | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 8 | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, E, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-07-12 | | Release date: | 2005-08-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Amino-terminal Dimerization, NRDP1-Rhodanese Interaction, and Inhibited Catalytic Domain Conformation of the Ubiquitin-specific Protease 8 (USP8).
J.Biol.Chem., 281, 2006
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4DIQ
 | | Crystal Structure of human NO66 | | Descriptor: | Lysine-specific demethylase NO66, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | | Authors: | Vollmar, M, Krojer, T, Ng, S, Pilka, E, Bray, J, Pike, A.C.W, Filippakopoulos, P, Roos, A, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-01-31 | | Release date: | 2012-03-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of human NO66
TO BE PUBLISHED
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3UMG
 | | Crystal Structure of the Defluorinating L-2-Haloacid Dehalogenase Rha0230 | | Descriptor: | CHLORIDE ION, Haloacid dehalogenase | | Authors: | Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-11-13 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination
To be Published
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3UM9
 | | Crystal Structure of the Defluorinating L-2-Haloacid Dehalogenase Bpro0530 | | Descriptor: | Haloacid dehalogenase, type II, NICKEL (II) ION, ... | | Authors: | Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-11-12 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination
To be Published
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3UMC
 | | Crystal Structure of the L-2-Haloacid Dehalogenase PA0810 | | Descriptor: | CHLORIDE ION, SODIUM ION, haloacid dehalogenase | | Authors: | Petit, P, Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-11-13 | | Release date: | 2012-11-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination
To be Published
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3UMB
 | | Crystal Structure of the L-2-Haloacid Dehalogenase RSc1362 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Petit, P, Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-11-12 | | Release date: | 2012-11-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination
To be Published
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5CE4
 | | High Resolution X-Ray and Neutron diffraction structure of H-FABP | | Descriptor: | Fatty acid-binding protein, heart, OLEIC ACID | | Authors: | Podjarny, A.D, Howard, E.I, Blakeley, M.P, Guillot, B. | | Deposit date: | 2015-07-06 | | Release date: | 2016-03-09 | | Last modified: | 2024-05-08 | | Method: | NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION | | Cite: | High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP-oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electron-density distribution.
Iucrj, 3, 2016
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