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1XL4
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BU of 1xl4 by Molmil
Intermediate gating structure 1 of the inwardly rectifying K+ channel KirBac3.1
分子名称: Inward rectifier potassium channel, MAGNESIUM ION, POTASSIUM ION
著者Gulbis, J.M, Kuo, A, Smith, B, Doyle, D.A, Edwards, A, Arrowsmith, C, Sundstrom, M.
登録日2004-09-30
公開日2004-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Two intermediate gating state crystal structures of the KirBac3.1 K+ channel
To be Published
1XL6
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BU of 1xl6 by Molmil
Intermediate gating structure 2 of the inwardly rectifying K+ channel KirBac3.1
分子名称: Inward rectifier potassium channel, MAGNESIUM ION, POTASSIUM ION, ...
著者Gulbis, J.M, Kuo, A, Smith, B, Doyle, D.A, Edwards, A, Arrowsmith, C, Sundstrom, M.
登録日2004-09-30
公開日2004-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Two intermediate gating state crystal structures of the KirBac3.1 K+ channel
To be Published
9DVG
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BU of 9dvg by Molmil
A DARPin fused to the 1TEL crystallization chaperone via a direct helical fusion
分子名称: Transcription factor ETV6,DARPin
著者Pedroza Romo, M.J, Averett, J.C, Keliiliki, A, Wilson, E.W, Smith, C, Hansen, D, Averett, B, Gonzalez, J, Noakes, E, Nickles, R, Doukov, T, Moody, J.D.
登録日2024-10-07
公開日2024-10-23
実験手法X-RAY DIFFRACTION (3.54 Å)
主引用文献Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent
To Be Published
9DAM
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BU of 9dam by Molmil
A DARPin fused to the 1TEL crystallization chaperone via a direct helical fusion
分子名称: ACETIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Pedroza Romo, M.J, Averett, J.C, Keliiliki, A, Wilson, E.W, Smith, C, Hansen, D, Averett, B, Gonzalez, J, Noakes, E.W, Nickles, R, Doukov, T, Moody, J.D.
登録日2024-08-22
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent
To Be Published
9DB5
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BU of 9db5 by Molmil
A DARPin fused to the 1TEL crystallization chaperone via a proline-alanine linker
分子名称: ACETIC ACID, CHLORIDE ION, SODIUM ION, ...
著者Pedroza Romo, M.J, Averett, J.C, Keliiliki, A, Wilson, E.W, Smith, C, Hansen, D, Averett, B, Gonzalez, J, Noakes, E, Nickles, R, Doukov, T, Moody, J.D.
登録日2024-08-23
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent
To Be Published
3ETC
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BU of 3etc by Molmil
2.1 A structure of acyl-adenylate synthetase from Methanosarcina acetivorans containing a link between Lys256 and Cys298
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMP-binding protein, FORMYL GROUP, ...
著者Shah, M.B, Gulick, A.M, Smith, K.S, Ingram-Smith, C.
登録日2008-10-07
公開日2009-07-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The 2.1 A crystal structure of an acyl-CoA synthetase from Methanosarcina acetivorans reveals an alternate acyl-binding pocket for small branched acyl substrates.
Proteins, 77, 2009
4DMX
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BU of 4dmx by Molmil
Cathepsin K inhibitor
分子名称: (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL
著者Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M.
登録日2012-02-08
公開日2012-07-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
4DMY
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BU of 4dmy by Molmil
Cathepsin K inhibitor
分子名称: (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ...
著者Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M.
登録日2012-02-08
公開日2012-07-11
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
1FC4
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BU of 1fc4 by Molmil
2-AMINO-3-KETOBUTYRATE COA LIGASE
分子名称: 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE, 2-AMINO-3-KETOBUTYRIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Schmidt, A, Matte, A, Li, Y, Sivaraman, J, Larocque, R, Schrag, J.D, Smith, C, Sauve, V, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2000-07-17
公開日2001-05-02
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structure of 2-amino-3-ketobutyrate CoA ligase from Escherichia coli complexed with a PLP-substrate intermediate: inferred reaction mechanism.
Biochemistry, 40, 2001
1MXF
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BU of 1mxf by Molmil
Crystal Structure of Inhibitor Complex of Putative Pteridine Reductase 2 (PTR2) from Trypanosoma cruzi
分子名称: METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 2
著者Schormann, N, Pal, B, Senkovich, O, Carson, M, Howard, A, Smith, C, Delucas, L, Chattopadhyay, D.
登録日2002-10-02
公開日2003-10-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Trypanosoma cruzi pteridine reductase 2 in complex with a substrate and an inhibitor.
J.Struct.Biol., 152, 2005
1MXH
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BU of 1mxh by Molmil
Crystal Structure of Substrate Complex of Putative Pteridine Reductase 2 (PTR2) from Trypanosoma cruzi
分子名称: DIHYDROFOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 2
著者Schormann, N, Pal, B, Senkovich, O, Carson, M, Howard, A, Smith, C, Delucas, L, Chattopadhyay, D.
登録日2002-10-02
公開日2003-10-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Trypanosoma cruzi pteridine reductase 2 in complex with a substrate and an inhibitor.
J.Struct.Biol., 152, 2005
1G99
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BU of 1g99 by Molmil
AN ANCIENT ENZYME: ACETATE KINASE FROM METHANOSARCINA THERMOPHILA
分子名称: ACETATE KINASE, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION
著者Buss, K.A, Cooper, D.R, Ingram-Smith, C, Ferry, J.G, Sanders, D.A, Hasson, M.S.
登録日2000-11-22
公開日2000-12-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Urkinase: structure of acetate kinase, a member of the ASKHA superfamily of phosphotransferases.
J.Bacteriol., 183, 2001
3S86
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BU of 3s86 by Molmil
Crystal Structure of TM0159 with bound IMP
分子名称: INOSINIC ACID, Nucleoside-triphosphatase, SULFATE ION
著者Sommerhalter, M, Smith, C, Awwad, K, Desai, A.
登録日2011-05-27
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and functional characterization of a noncanonical nucleoside triphosphate pyrophosphatase from Thermotoga maritima.
Acta Crystallogr.,Sect.D, 69, 2013
1D5C
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BU of 1d5c by Molmil
CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM RAB6 COMPLEXED WITH GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAB6 GTPASE
著者Chattopadhyay, D, Langsley, G, Carson, M, Recacha, R, DeLucas, L, Smith, C.
登録日1999-10-06
公開日2000-08-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the nucleotide-binding domain of Plasmodium falciparum rab6 in the GDP-bound form.
Acta Crystallogr.,Sect.D, 56, 2000
4URJ
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BU of 4urj by Molmil
Crystal structure of human BJ-TSA-9
分子名称: 1,2-ETHANEDIOL, PROTEIN FAM83A
著者Pinkas, D.M, Sanvitale, C, Wang, D, Krojer, T, Kopec, J, Chaikuad, A, Dixon Clarke, S, Berridge, G, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A.
登録日2014-06-30
公開日2014-10-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Crystal Structure of Human Bj-Tsa-9
To be Published
2G9K
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BU of 2g9k by Molmil
Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-2',3,3',4',5-Pentachlorobiphenyl
分子名称: 2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL, Transthyretin
著者Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C.
登録日2006-03-06
公開日2006-03-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004
2GAB
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BU of 2gab by Molmil
Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-3,3',5,4'-tetrachlorobiphenyl
分子名称: 3,3',4',5-TETRACHLOROBIPHENYL-4-OL, Transthyretin
著者Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C.
登録日2006-03-08
公開日2006-03-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004
2G5U
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BU of 2g5u by Molmil
Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4,4'-dihydroxy-3,3',5,5'-tetrachlorobiphenyl
分子名称: 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL, Transthyretin
著者Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C.
登録日2006-02-23
公開日2006-03-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004
2DFD
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BU of 2dfd by Molmil
Crystal Structure of Human Malate Dehydrogenase Type 2
分子名称: ALANINE, CHLORIDE ION, D-MALATE, ...
著者Ugochukwu, E, Shafqat, N, Rojkova, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2006-02-28
公開日2006-03-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Human Malate Dehydrogenase Type 2
To be Published
4V06
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BU of 4v06 by Molmil
Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain
分子名称: FE (III) ION, IMIDAZOLE, TRYPTOPHAN 5-HYDROXYLASE 2
著者Kopec, J, Oberholzer, A, Fitzpatrick, F, Newman, J, Tallant, C, Kiyani, W, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2014-09-11
公開日2014-10-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Crystal Structure of Human Tryptophane Hydroxylase 2 (Tph2), Catalytic Domain
To be Published
4UYB
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BU of 4uyb by Molmil
Crystal structure of SEC14-like protein 3
分子名称: 1,2-ETHANEDIOL, SEC14-LIKE PROTEIN 3, UNKNOWN LIGAND
著者Kopec, J, Goubin, S, Krojer, T, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2014-08-29
公開日2014-09-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Sec14-Like Protein 3
To be Published
7OZX
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BU of 7ozx by Molmil
Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone
分子名称: (azepan-1-yl)(2,6-difluorophenyl)methanone, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ...
著者Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
登録日2021-06-29
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone
To Be Published
5L76
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BU of 5l76 by Molmil
Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in apo form)
分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ...
著者Kopec, J, Pena, I.A, Rembeza, E, Strain-Damerell, C, Chalk, R, Borkowska, O, Goubin, S, Velupillai, S, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Arruda, P, Yue, W.W.
登録日2016-06-02
公開日2017-05-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in apo form)
To Be Published
4UEG
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BU of 4ueg by Molmil
Crystal structure of human glycogenin-2 catalytic domain
分子名称: GLYCOGENIN-2, MAGNESIUM ION
著者Fairhead, M, Strain-Damerell, C, Krojer, T, Froese, D.S, Kopec, J, Nowak, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2014-12-17
公開日2014-12-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal Structure of Human Glycogenin-2 Catalytic Domain
To be Published
6HRH
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BU of 6hrh by Molmil
Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2
分子名称: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
著者Bailey, H.J, Shrestha, L, Rembeza, E, Newman, J, Kupinska, K, Diaz-saez, L, Kennedy, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W, Structural Genomics Consortium (SGC)
登録日2018-09-27
公開日2018-11-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2
To Be Published

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