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2VIJ
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BU of 2vij by Molmil
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
分子名称: 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
著者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.
登録日2007-12-04
公開日2008-01-29
最終更新日2019-09-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bace-1 Inhibitors Part 3: Identification of Hydroxy Ethylamines (Heas) with Nanomolar Potency in Cells.
Bioorg.Med.Chem.Lett., 18, 2008
5NP8
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PGK1 in complex with CRT0063465 (3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid)
分子名称: 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, 3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid, ...
著者Turnbull, A.P, Bilsland, A.E, Liu, Y, Sumpton, D, Stevenson, K, Cairney, C.J, Roffey, J, Jenkinson, D, Keith, W.N.
登録日2017-04-13
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Novel Pyrazolopyrimidine Ligand of Human PGK1 and Stress Sensor DJ1 Modulates the Shelterin Complex and Telomere Length Regulation.
Neoplasia, 21, 2019
5LEV
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BU of 5lev by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant)
分子名称: UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, UNKNOWN LIGAND
著者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)
登録日2016-06-30
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
4XRA
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BU of 4xra by Molmil
Salmonella typhimurium AhpC T43S mutant
分子名称: Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ...
著者Perkins, A, Brereton, A.E, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A.
登録日2015-01-20
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
4XRD
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BU of 4xrd by Molmil
Salmonella typhimurium AhpC W169F mutant
分子名称: Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ...
著者Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A.
登録日2015-01-21
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
4XS4
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BU of 4xs4 by Molmil
Salmonella typhimurium AhpC C165S mutant
分子名称: Alkyl hydroperoxide reductase subunit C, POTASSIUM ION
著者Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A.
登録日2015-01-21
公開日2016-01-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
4XTS
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BU of 4xts by Molmil
Salmonella typhimurium AhpC T43A mutant
分子名称: Alkyl hydroperoxide reductase subunit C, CHLORIDE ION
著者Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A.
登録日2015-01-24
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
4XS6
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BU of 4xs6 by Molmil
Salmonella typhimurium AhpC W81F mutant
分子名称: Alkyl hydroperoxide reductase subunit C, POTASSIUM ION
著者Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A.
登録日2015-01-21
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
4XS1
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BU of 4xs1 by Molmil
Salmonella typhimurium AhpC T43V mutant
分子名称: Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ...
著者Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A.
登録日2015-01-21
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
5O5E
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BU of 5o5e by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with tunicamycin
分子名称: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ...
著者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)
登録日2017-06-01
公開日2018-02-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
6FWZ
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BU of 6fwz by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with UDP-GlcNAc
分子名称: (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, ...
著者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)
登録日2018-03-07
公開日2018-07-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
6FM9
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BU of 6fm9 by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1)
分子名称: (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
著者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)
登録日2018-01-30
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
3ODK
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BU of 3odk by Molmil
Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D.
登録日2010-08-11
公開日2010-10-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution.
Bioorg.Med.Chem.Lett., 20, 2010
4X9M
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BU of 4x9m by Molmil
Oxidized L-alpha-Glycerophosphate Oxidase from Mycoplasma pneumoniae with FAD bound
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, L-alpha-glycerophosphate oxidase, NICKEL (II) ION, ...
著者Elkhal, C.K, Kean, K.M, Parsonage, D, Claiborne, A, Karplus, P.A.
登録日2014-12-11
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and proposed mechanism of l-alpha-glycerophosphate oxidase from Mycoplasma pneumoniae.
Febs J., 282, 2015
4X9N
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BU of 4x9n by Molmil
Dithionite reduced L-alpha-Glycerophosphate Oxidase from Mycoplasma pneumoniae with FAD bound
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, L-alpha-glycerophosphate oxidase, NICKEL (II) ION
著者Elkhal, C.K, Kean, K.M, Parsonage, D, Claiborne, A, Karplus, P.A.
登録日2014-12-11
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Structure and proposed mechanism of l-alpha-glycerophosphate oxidase from Mycoplasma pneumoniae.
Febs J., 282, 2015
6NUG
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BU of 6nug by Molmil
hGRNA4-28_3s
分子名称: Granulin-4
著者Dastpeyman, M, Bansal, P, Wilson, D, Loukas, A, Smout, M, Daly, N.
登録日2019-02-01
公開日2020-02-05
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献hGRN4-28_3s
to be published
1TOV
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BU of 1tov by Molmil
Structural genomics of Caenorhabditis elegans: CAP-GLY domain of F53F4.3
分子名称: Hypothetical protein F53F4.3 in chromosome V, SULFATE ION
著者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)
登録日2004-06-15
公開日2004-07-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal Structure of the Cytoskeleton-Associated Protein Glycine-Rich (CAP-Gly) Domain
J.Biol.Chem., 277, 2002
1SCZ
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BU of 1scz by Molmil
Improved structural model for the catalytic domain of E.coli dihydrolipoamide succinyltransferase
分子名称: Dihydrolipoamide Succinyltransferase
著者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.
登録日2004-02-12
公開日2004-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Improved structural model for the catalytic domain of E.coli dihydrolipoamide succinyltransferase
To be Published
3BD9
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BU of 3bd9 by Molmil
human 3-O-sulfotransferase isoform 5 with bound PAP
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, Heparan sulfate glucosamine 3-O-sulfotransferase 5
著者Xu, D, Moon, A.F, Song, D, Liu, J, Pedersen, L.C.
登録日2007-11-14
公開日2008-01-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Engineering sulfotransferases to modify heparan sulfate.
Nat.Chem.Biol., 4, 2008
1XHL
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BU of 1xhl by Molmil
Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate
分子名称: 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase family member (5L265), ...
著者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)
登録日2004-09-20
公開日2004-09-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate
To be Published
1XKQ
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BU of 1xkq by Molmil
Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, short-chain reductase family member (5D234)
著者Schormann, N, Zhou, J, Karpova, E, Zhang, Y, Symersky, J, Bunzel, B, 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)
登録日2004-09-29
公開日2004-10-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor
To be Published
3OZZ
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BU of 3ozz by Molmil
Structure of a cytochrome b5 core-swap mutant
分子名称: Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE
著者Terzyan, S, Parthasarathy, S, Zhang, X.C, Benson, D.
登録日2010-09-27
公開日2011-09-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of a cytochrome b5 core-swap mutant
To be Published
6GL0
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Structure of ZgEngAGH5_4 in complex with a cellotriose
分子名称: Endoglucanase, family GH5, MAGNESIUM ION, ...
著者Dorival, J, Ruppert, S, Gunnoo, M, Orlowski, A, Chapelais, M, Dabin, J, Labourel, A, Thompson, D, Michel, G, Czjzek, M, Genicot, S.
登録日2018-05-22
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The laterally acquired GH5ZgEngAGH5_4from the marine bacteriumZobellia galactanivoransis dedicated to hemicellulose hydrolysis.
Biochem. J., 475, 2018
6E1L
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GRN3Ala
分子名称: Granulin
著者Dastpeyman, M, Bansal, P, Wilson, D, Sotillo, J, Brindley, P, Loukas, A, Smout, M, Daly, N.
登録日2018-07-10
公開日2019-02-06
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural Variants of a Liver Fluke Derived Granulin Peptide Potently Stimulate Wound Healing.
J. Med. Chem., 61, 2018
6GL2
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Structure of ZgEngAGH5_4 wild type at 1.2 Angstrom resolution
分子名称: Endoglucanase, family GH5, IMIDAZOLE
著者Dorival, J, Ruppert, S, Gunnoo, M, Orlowski, A, Chapelais, M, Dabin, J, Labourel, A, Thompson, D, Michel, G, Czjzek, M, Genicot, S.
登録日2018-05-22
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The laterally acquired GH5ZgEngAGH5_4from the marine bacteriumZobellia galactanivoransis dedicated to hemicellulose hydrolysis.
Biochem. J., 475, 2018

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