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6GDX
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BU of 6gdx by Molmil
Structure of CutA from Synechococcus elongatus PCC7942 complexed with 3 molecules of Bis-Tris
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Periplasmic divalent cation tolerance protein
著者Tremino, L, Rubio, V.
登録日2018-04-24
公開日2019-05-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role.
Febs J., 2020
4O3C
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BU of 4o3c by Molmil
Crystal structure of the GLUA2 ligand-binding domain in complex with L-aspartate at 1.50 A resolution
分子名称: ACETATE ION, ASPARTIC ACID, CHLORIDE ION, ...
著者Krintel, C, Frydenvang, K, Kaern, A.M, Gajhede, M, Kastrup, J.S.
登録日2013-12-18
公開日2014-04-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献L-Asp is a useful tool in the purification of the ionotropic glutamate receptor A2 ligand-binding domain.
Febs J., 281, 2014
5AGF
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BU of 5agf by Molmil
Nitrosyl complex of the D121Q variant of cytochrome c prime from Alcaligenes xylosoxidans
分子名称: CYTOCHROME C PRIME, HEME C, NITRIC OXIDE, ...
著者Gahfoor, D.D, Kekilli, D, Abdullah, G.H, Dworkowski, F.S.N, Hassan, H.G, Wilson, M.T, Hough, M.A, Strange, R.W.
登録日2015-01-30
公開日2015-09-09
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Hydrogen Bonding of the Dissociated Histidine Ligand is not Required for Formation of a Proximal No Adduct in Cytochrome C'.
J.Biol.Inorg.Chem., 20, 2015
6GDU
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BU of 6gdu by Molmil
Structure of CutA from Synechococcus elongatus PCC7942
分子名称: Periplasmic divalent cation tolerance protein
著者Tremino, L, Rubio, V.
登録日2018-04-24
公開日2019-05-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role.
Febs J., 2020
6ZTX
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BU of 6ztx by Molmil
Crystal Structure of catalase HPII from Escherichia coli (serendipitously crystallized)
分子名称: 1,2-ETHANEDIOL, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII, ...
著者Grzechowiak, M, Sekula, B, Ruszkowski, M.
登録日2020-07-20
公開日2020-10-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Serendipitous crystallization of E. coli HPII catalase, a sequel to "the tale usually not told".
Acta Biochim.Pol., 68, 2021
6ZTW
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BU of 6ztw by Molmil
Crystal Structure of catalase HPII from Escherichia coli (serendipitously crystallized)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Grzechowiak, M, Sekula, B, Ruszkowski, M.
登録日2020-07-20
公開日2020-10-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Serendipitous crystallization of E. coli HPII catalase, a sequel to "the tale usually not told".
Acta Biochim.Pol., 68, 2021
6ZTV
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BU of 6ztv by Molmil
Crystal Structure of catalase HPII from Escherichia coli (serendipitously crystallized)
分子名称: 1,2-ETHANEDIOL, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII, ...
著者Grzechowiak, M, Sekula, B, Ruszkowski, M.
登録日2020-07-20
公開日2020-10-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Serendipitous crystallization of E. coli HPII catalase, a sequel to "the tale usually not told".
Acta Biochim.Pol., 68, 2021
7K4I
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BU of 7k4i by Molmil
Human Arginase 1 in complex with compound 06.
分子名称: 3-[(1~{S},2~{S},5~{R})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7K4H
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BU of 7k4h by Molmil
Human Arginase 1 in complex with compound 04.
分子名称: 3-[(1~{R},5~{S},8~{R})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7K4J
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BU of 7k4j by Molmil
Human Arginase 1 in complex with compound 51.
分子名称: 3-[(1~{S},2~{S},5~{R})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7K4G
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BU of 7k4g by Molmil
Human Arginase 1 in complex with compound 01.
分子名称: 3-[(2~{S},3~{R})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7K4K
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BU of 7k4k by Molmil
Human Arginase 1 in complex with compound 52.
分子名称: 3-[(3~{a}~{S},4~{S},6~{a}~{R})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{H}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
1S51
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BU of 1s51 by Molmil
Thr24Ser Bacteriorhodopsin
分子名称: RETINAL, bacteriorhodopsin
著者Yohannan, S, Faham, S, Yang, D, Grosfeld, D, Chamberlain, A.K, Bowie, J.U.
登録日2004-01-19
公開日2004-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A C(alpha)-H.O Hydrogen Bond in a Membrane Protein Is Not Stabilizing
J.Am.Chem.Soc., 126, 2004
1S54
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BU of 1s54 by Molmil
Thr24Ala Bacteriorhodopsin
分子名称: RETINAL, bacteriorhodopsin
著者Yohannan, S, Faham, S, Yang, D, Grosfeld, D, Chamberlain, A.K, Bowie, J.U.
登録日2004-01-19
公開日2004-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A C(alpha)-H.O Hydrogen Bond in a Membrane Protein Is Not Stabilizing
J.Am.Chem.Soc., 126, 2004
3OZB
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BU of 3ozb by Molmil
Crystal Structure of 5'-methylthioinosine phosphorylase from Psedomonas aeruginosa in complex with hypoxanthine
分子名称: HYPOXANTHINE, Methylthioadenosine phosphorylase, SULFATE ION
著者Ho, M, Guan, R, Almo, S.C, Schramm, V.L.
登録日2010-09-24
公開日2011-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Methylthioinosine phosphorylase from Pseudomonas aeruginosa. Structure and annotation of a novel enzyme in quorum sensing.
Biochemistry, 50, 2011
3GSB
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BU of 3gsb by Molmil
CRYSTAL STRUCTURE OF GLUTAMATE-1-SEMIALDEHYDE AMINOMUTASE IN COMPLEX WITH GABACULINE
分子名称: 3-AMINOBENZOIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, PROTEIN (GLUTAMATE SEMIALDEHYDE AMINOTRANSFERASE)
著者Hennig, M, Jansonius, J.N.
登録日1998-06-26
公開日1999-08-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of glutamate-1-semialdehyde aminomutase: an alpha2-dimeric vitamin B6-dependent enzyme with asymmetry in structure and active site reactivity.
Proc.Natl.Acad.Sci.USA, 94, 1997
4FM4
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BU of 4fm4 by Molmil
Wild Type Fe-type Nitrile Hydratase from Comamonas testosteroni Ni1
分子名称: FE (III) ION, Nitrile hydratase alpha subunit, Nitrile hydratase beta subunit, ...
著者Kuhn, M.L, Martinez, S, Gumataotao, N, Bornscheuer, U, Liu, D, Holz, R.C.
登録日2012-06-15
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.384 Å)
主引用文献The Fe-type nitrile hydratase from Comamonas testosteroni Ni1 does not require an activator accessory protein for expression in Escherichia coli.
Biochem.Biophys.Res.Commun., 424, 2012
4UBA
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BU of 4uba by Molmil
Low-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26)
分子名称: 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, Casein kinase II subunit alpha
著者Niefind, K, Bischoff, N, Guerra, B, Golub, A, Issinger, O.-G.
登録日2014-08-12
公開日2015-07-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.995 Å)
主引用文献A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures.
Acs Chem.Biol., 10, 2015
6NZV
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BU of 6nzv by Molmil
Crystal structure of HCV NS3/4A protease in complex with compound 12
分子名称: (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, HCV NS3/4A protease, SULFATE ION, ...
著者Appleby, T.C, Taylor, J.G.
登録日2019-02-14
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
6NZT
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BU of 6nzt by Molmil
Crystal structure of HCV NS3/4A protease in complex with voxilaprevir
分子名称: HCV NS3/4A protease, SULFATE ION, Voxilaprevir, ...
著者Appleby, T.C, Taylor, J.G.
登録日2019-02-14
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
4BUG
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BU of 4bug by Molmil
Pilus-presented adhesin, Spy0125 (Cpa), Cys426Ala mutant
分子名称: ANCILLARY PROTEIN 1
著者Walden, M, Crow, A, Nelson, M, Banfield, M.J.
登録日2013-06-20
公開日2013-10-09
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Intramolecular Isopeptide But not Internal Thioester Bonds Confer Proteolytic and Significant Thermal Stability to the S. Pyogenes Pilus Adhesin Spy0125.
Proteins, 82, 2014
4NO7
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BU of 4no7 by Molmil
Human Glucokinase in complex with a nanomolar activator.
分子名称: (2R)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1R)-3-oxocyclopentyl]-N-(pyrazin-2-yl)propanamide, Glucokinase, alpha-D-glucopyranose
著者Petit, P, Ferry, G, Antoine, M, Boutin, J.A, Kotschy, A, Perron-Sierra, F, Mamelli, L, Vuillard, L.
登録日2013-11-19
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The active conformation of human glucokinase is not altered by allosteric activators.
Acta Crystallogr. D Biol. Crystallogr., 67, 2011
4QGB
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BU of 4qgb by Molmil
Crystal structure of mutant ribosomal protein G219V TthL1
分子名称: 50S ribosomal protein L1, ACETATE ION, CHLORIDE ION
著者Gabdulkhakov, A.G, Nevskaya, N.A, Nikonov, S.V.
登録日2014-05-22
公開日2015-02-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Protein-RNA affinity of ribosomal protein L1 mutants does not correlate with the number of intermolecular interactions.
Acta Crystallogr.,Sect.D, 71, 2015
4QG3
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BU of 4qg3 by Molmil
Crystal structure of mutant ribosomal protein G219V TthL1 in complex with 80nt 23S RNA from Thermus thermophilus
分子名称: 50S ribosomal protein L1, BETA-MERCAPTOETHANOL, ISOPROPYL ALCOHOL, ...
著者Gabdulkhakov, A.G, Nevskaya, N.A, Nikonov, S.V.
登録日2014-05-22
公開日2015-02-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein-RNA affinity of ribosomal protein L1 mutants does not correlate with the number of intermolecular interactions.
Acta Crystallogr.,Sect.D, 71, 2015
3SUH
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BU of 3suh by Molmil
Crystal structure of THF riboswitch, bound with 5-formyl-THF
分子名称: N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, Riboswitch, SODIUM ION
著者Huang, L, Serganov, A, Patel, D.J.
登録日2011-07-11
公開日2011-09-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Long-range pseudoknot interactions dictate the regulatory response in the tetrahydrofolate riboswitch.
Proc.Natl.Acad.Sci.USA, 108, 2011

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