1N29
 
 | | Crystal structure of the N1A mutant of human group IIA phospholipase A2 | | Descriptor: | CALCIUM ION, Phospholipase A2, membrane associated | | Authors: | Edwards, S.H, Thompson, D, Baker, S.F, Wood, S.P, Wilton, D.C. | | Deposit date: | 2002-10-22 | | Release date: | 2003-10-28 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The crystal structure of the H48Q active site mutant of human group IIA secreted phospholipase A2 at 1.5 A resolution provides an insight into the catalytic mechanism
Biochemistry, 41, 2002
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5IMD
 | | Xanthomonas campestris Peroxiredoxin Q - Structure F4 | | Descriptor: | Bacterioferritin comigratory protein, FORMIC ACID, OXYGEN ATOM, ... | | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | | Deposit date: | 2016-03-06 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
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5INY
 | | Xanthomonas campestris Peroxiredoxin Q - Structure F8 | | Descriptor: | Bacterioferritin comigratory protein, FORMIC ACID, SODIUM ION | | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | | Deposit date: | 2016-03-08 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
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5IOX
 | | Xanthomonas campestris Peroxiredoxin Q - Structure LUss | | Descriptor: | Bacterioferritin comigratory protein | | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | | Deposit date: | 2016-03-09 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
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5IMV
 | | Xanthomonas campestris Peroxiredoxin Q - Structure F6 | | Descriptor: | Bacterioferritin comigratory protein, FORMIC ACID, SODIUM ION | | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | | Deposit date: | 2016-03-07 | | Release date: | 2016-09-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
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5ABT
 | | S.enterica HisA mutant D7N, G102A, V106M, D176A | | Descriptor: | 1-(5-PHOSPHORIBOSYL)-5-[(5-PHOSPHORIBOSYLAMINO) METHYLIDENE AMINO] IMIDAZOLE-4-CARBOXAMIDE ISOMERASE, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | | Deposit date: | 2015-08-08 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The Protein Structures, Functions and Dynamics of Adaptive Evolution
To be Published
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2VIJ
 | | Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | | Authors: | Beswick, P, Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Gleave, R, Hawkins, J, Hussain, I, Johnson, C.N, Macpherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Skidmore, J, Soleil, V, Smith, K.J, Stanway, S, Stemp, G, Stuart, A, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-12-04 | | Release date: | 2008-01-29 | | Last modified: | 2019-09-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bace-1 Inhibitors Part 3: Identification of Hydroxy Ethylamines (Heas) with Nanomolar Potency in Cells.
Bioorg.Med.Chem.Lett., 18, 2008
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7FCI
 | | human NTCP in complex with YN69083 Fab | | Descriptor: | Fab Heavy chain, Fab Light chain, Sodium/bile acid cotransporter | | Authors: | Park, J.H, Iwamoto, M, Yun, J.H, Uchikubo-Kamo, T, Son, D, Jin, Z, Yoshida, H, Ohki, M, Ishimoto, N, Mizutani, K, Oshima, M, Muramatsu, M, Wakita, T, Shirouzu, M, Liu, K, Uemura, T, Nomura, N, Iwata, S, Watashi, K, Tame, J.R.H, Nishizawa, T, Lee, W, Park, S.Y. | | Deposit date: | 2021-07-14 | | Release date: | 2022-05-25 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into the HBV receptor and bile acid transporter NTCP.
Nature, 606, 2022
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5NP8
 | | PGK1 in complex with CRT0063465 (3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid) | | Descriptor: | 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, 3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid, ... | | Authors: | Turnbull, A.P, Bilsland, A.E, Liu, Y, Sumpton, D, Stevenson, K, Cairney, C.J, Roffey, J, Jenkinson, D, Keith, W.N. | | Deposit date: | 2017-04-13 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Novel Pyrazolopyrimidine Ligand of Human PGK1 and Stress Sensor DJ1 Modulates the Shelterin Complex and Telomere Length Regulation.
Neoplasia, 21, 2019
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4XRA
 | | Salmonella typhimurium AhpC T43S mutant | | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Perkins, A, Brereton, A.E, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | | Deposit date: | 2015-01-20 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
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4XRD
 | | Salmonella typhimurium AhpC W169F mutant | | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | | Deposit date: | 2015-01-21 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
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4XS4
 | | Salmonella typhimurium AhpC C165S mutant | | Descriptor: | Alkyl hydroperoxide reductase subunit C, POTASSIUM ION | | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | | Deposit date: | 2015-01-21 | | Release date: | 2016-01-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
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4XTS
 | | Salmonella typhimurium AhpC T43A mutant | | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION | | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | | Deposit date: | 2015-01-24 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.704 Å) | | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
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4XS6
 | | Salmonella typhimurium AhpC W81F mutant | | Descriptor: | Alkyl hydroperoxide reductase subunit C, POTASSIUM ION | | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | | Deposit date: | 2015-01-21 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
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4XS1
 | | Salmonella typhimurium AhpC T43V mutant | | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | | Deposit date: | 2015-01-21 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
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5LEV
 | | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) | | Descriptor: | UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, UNKNOWN LIGAND | | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-30 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
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6FWZ
 | | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with UDP-GlcNAc | | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, MAGNESIUM ION, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ... | | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-07 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
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6FM9
 | | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) | | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase | | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-01-30 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
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6NUG
 | | hGRNA4-28_3s | | Descriptor: | Granulin-4 | | Authors: | Dastpeyman, M, Bansal, P, Wilson, D, Loukas, A, Smout, M, Daly, N. | | Deposit date: | 2019-02-01 | | Release date: | 2020-02-05 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | hGRN4-28_3s
to be published
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4X9M
 | | Oxidized L-alpha-Glycerophosphate Oxidase from Mycoplasma pneumoniae with FAD bound | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-alpha-glycerophosphate oxidase, NICKEL (II) ION, ... | | Authors: | Elkhal, C.K, Kean, K.M, Parsonage, D, Claiborne, A, Karplus, P.A. | | Deposit date: | 2014-12-11 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and proposed mechanism of l-alpha-glycerophosphate oxidase from Mycoplasma pneumoniae.
Febs J., 282, 2015
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4X9N
 | | Dithionite reduced L-alpha-Glycerophosphate Oxidase from Mycoplasma pneumoniae with FAD bound | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-alpha-glycerophosphate oxidase, NICKEL (II) ION | | Authors: | Elkhal, C.K, Kean, K.M, Parsonage, D, Claiborne, A, Karplus, P.A. | | Deposit date: | 2014-12-11 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Structure and proposed mechanism of l-alpha-glycerophosphate oxidase from Mycoplasma pneumoniae.
Febs J., 282, 2015
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1TOV
 | | Structural genomics of Caenorhabditis elegans: CAP-GLY domain of F53F4.3 | | Descriptor: | Hypothetical protein F53F4.3 in chromosome V, SULFATE ION | | Authors: | Li, S, Finley, J, Liu, Z.J, Qiu, S.H, Luan, C.H, Carson, M, Tsao, J, Johnson, D, Lin, G, Zhao, J, Thomas, W, Nagy, L.A, Sha, B, Delucas, L.J, Richardson, D, Richardson, J, Wang, B.C, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-06-15 | | Release date: | 2004-07-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal Structure of the Cytoskeleton-Associated Protein Glycine-Rich (CAP-Gly) Domain
J.Biol.Chem., 277, 2002
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3BD9
 | | human 3-O-sulfotransferase isoform 5 with bound PAP | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Heparan sulfate glucosamine 3-O-sulfotransferase 5 | | Authors: | Xu, D, Moon, A.F, Song, D, Liu, J, Pedersen, L.C. | | Deposit date: | 2007-11-14 | | Release date: | 2008-01-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Engineering sulfotransferases to modify heparan sulfate.
Nat.Chem.Biol., 4, 2008
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1SCZ
 | | Improved structural model for the catalytic domain of E.coli dihydrolipoamide succinyltransferase | | Descriptor: | Dihydrolipoamide Succinyltransferase | | Authors: | Schormann, N, Symersky, J, Carson, M, Luo, M, Tsao, J, Johnson, D, Huang, W.-Y, Pruett, P, Lin, G, Li, S, Qiu, S, Arabashi, A, Bunzel, B, Luo, D, Nagy, L, Gray, R, Luan, C.-H, Zhang, Z, Lu, S, DeLucas, L. | | Deposit date: | 2004-02-12 | | Release date: | 2004-03-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Improved structural model for the catalytic domain of E.coli dihydrolipoamide succinyltransferase
To be Published
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1XHL
 | | Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate | | Descriptor: | 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase family member (5L265), ... | | Authors: | Schormann, N, Karpova, E, Zhou, J, Zhang, Y, Symersky, J, Bunzel, R, Huang, W.-Y, Arabshahi, A, Qiu, S, Luan, C.-H, Gray, R, Carson, M, Tsao, J, Luo, M, Johnson, D, Lu, S, Lin, G, Luo, D, Cao, Z, Li, S, McKInstry, A, Shang, Q, Chen, Y.-J, Bray, T, Nagy, L, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-20 | | Release date: | 2004-09-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate
To be Published
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