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5AC7
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BU of 5ac7 by Molmil
S. enterica HisA with mutations D7N, D10G, dup13-15
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, SODIUM ION, ...
著者Newton, M, Guo, X, Soderholm, A, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
登録日2015-08-12
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5G4W
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BU of 5g4w by Molmil
S. enterica HisA mutant D7N, D10G, Dup13-15 (VVR) with substrate ProFAR
分子名称: GLYCEROL, HISA, [(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
著者Guo, X, Soderholm, A, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M.
登録日2016-05-17
公開日2017-04-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5G5I
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BU of 5g5i by Molmil
S. enterica HisA mutant D10G
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION
著者Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
登録日2016-05-25
公開日2017-04-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5G1T
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BU of 5g1t by Molmil
S. enterica HisA mutant dup13-15, D10G
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION
著者Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
登録日2016-03-30
公開日2017-04-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5G2I
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BU of 5g2i by Molmil
S. enterica HisA mutant Dup13-15(VVR)
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, PHOSPHATE ION, SODIUM ION
著者Guo, X, Soderholm, A, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M.
登録日2016-04-08
公開日2017-04-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5G2H
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BU of 5g2h by Molmil
S. enterica HisA with mutation L169R
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, SODIUM ION, ...
著者Newton, M, Guo, X, Soderholm, A, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M.
登録日2016-04-08
公開日2017-04-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5G1Y
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BU of 5g1y by Molmil
S. enterica HisA mutant D10G, dup13-15,V14:2M, Q24L, G102
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, SULFATE ION
著者Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
登録日2016-04-01
公開日2017-04-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5G4E
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BU of 5g4e by Molmil
S. enterica HisA mutant D10G, Dup13-15, Q24L, G102A, V106L
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, ACETIC ACID, GLYCEROL, ...
著者Soderholm, A, Guo, X, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M.
登録日2016-05-12
公開日2017-04-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5G2W
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BU of 5g2w by Molmil
S. enterica HisA mutant D10G, G102A
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, SULFATE ION
著者Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
登録日2016-04-14
公開日2017-04-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4AVV
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BU of 4avv by Molmil
Structure of CPHPC bound to Serum Amyloid P Component
分子名称: (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kolstoe, S.E, Jenvey, M.C, Wood, S.P.
登録日2012-05-29
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc)
Acta Crystallogr.,Sect.D, 70, 2014
4AVS
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BU of 4avs by Molmil
Structure of N-Acetyl-L-Proline bound to Serum Amyloid P Component
分子名称: 1-ACETYL-L-PROLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Kolstoe, S, Wood, S.P.
登録日2012-05-29
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc)
Acta Crystallogr.,Sect.D, 70, 2014
4AVT
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BU of 4avt by Molmil
Structure of CPHPC bound to Serum Amyloid P Component
分子名称: (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Kolstoe, S.E, Purvis, A, Wood, S.P.
登録日2012-05-29
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc)
Acta Crystallogr.,Sect.D, 70, 2014
4AYU
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BU of 4ayu by Molmil
Structure of N-Acetyl-D-Proline bound to serum amyloid P component
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
著者Hughes, P, Kolstoe, S.E, Wood, S.P.
登録日2012-06-22
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc)
Acta Crystallogr.,Sect.D, 70, 2014
4N6U
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BU of 4n6u by Molmil
Adhiron: a stable and versatile peptide display scaffold - truncated adhiron
分子名称: Adhiron
著者Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J.
登録日2013-10-14
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
4MAB
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BU of 4mab by Molmil
Resolving Cys to Ala variant of Salmonella Alkyl Hydroperoxide Reductase C in its substrate-ready conformation
分子名称: Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, GLYCEROL, ...
著者Perkins, A, Nelson, K.J, Williams, J.R, Poole, L.B, Karplus, P.A.
登録日2013-08-15
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The sensitive balance between the fully folded and locally unfolded conformations of a model peroxiredoxin.
Biochemistry, 52, 2013
4N6T
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BU of 4n6t by Molmil
Adhiron: a stable and versatile peptide display scaffold - full length adhiron
分子名称: Adhiron
著者Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J.
登録日2013-10-14
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
4GID
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BU of 4gid by Molmil
Structure of beta-secretase complexed with inhibitor
分子名称: Beta-secretase 1, L-PROLINAMIDE, N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
著者Ghosh, A, Tang, J, Venkateswara, R.K, Yadav, N, Anderson, D, Gavande, N, Huang, X, Terzyan, S.
登録日2012-08-08
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure.
J.Med.Chem., 55, 2012
7F3U
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BU of 7f3u by Molmil
Cryo-EM structure of human TMEM120A in the CoASH-free state
分子名称: Transmembrane protein 120A
著者Rong, Y, Gao, Y.W, Song, D.F, Zhao, Y, Liu, Z.F.
登録日2021-06-17
公開日2021-06-30
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献TMEM120A contains a specific coenzyme A-binding site and might not mediate poking- or stretch-induced channel activities in cells.
Elife, 10, 2021
7F3T
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BU of 7f3t by Molmil
Cryo-EM structure of human TMEM120A in the CoASH-bound state
分子名称: COENZYME A, Transmembrane protein 120A
著者Song, D.F, Rong, Y, Liu, Z.F.
登録日2021-06-17
公開日2021-06-30
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献TMEM120A contains a specific coenzyme A-binding site and might not mediate poking- or stretch-induced channel activities in cells.
Elife, 10, 2021
1ZNJ
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BU of 1znj by Molmil
INSULIN, MONOCLINIC CRYSTAL FORM
分子名称: CHLORIDE ION, INSULIN, PHENOL, ...
著者Turkenburg, M.G.W, Whittingham, J.L, Turkenburg, J.P, Dodson, G.G, Derewenda, U, Smith, G.D, Dodson, E.J, Derewenda, Z.S, Xiao, B.
登録日1997-09-23
公開日1998-01-28
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure Determination and Refinement of Two Crystal Forms of Native Insulins
To be Published
4R69
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BU of 4r69 by Molmil
Lactate Dehydrogenase in complex with inhibitor compound 13
分子名称: (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-08-22
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014
4R68
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BU of 4r68 by Molmil
Lactate Dehydrogenase in complex with inhibitor compound 31
分子名称: (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-08-22
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014
5EIG
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BU of 5eig by Molmil
Engineered human cystathionine gamma lyase (E59T, E339V) to deplet cysteine
分子名称: CYSTEINE, Cystathionine gamma-lyase, SULFATE ION
著者Yan, W, Zhang, J.
登録日2015-10-29
公開日2016-11-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Systemic Depletion of Serum L-Cyst(e)ine with an Engineered Human Enzyme Mediates Potent Induction of ROS and Cancer Ablation
To Be Published
1QP1
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BU of 1qp1 by Molmil
KAPPA VARIABLE LIGHT CHAIN
分子名称: BENCE-JONES KAPPA I ANTIBODY BRE (LIGHT CHAIN)
著者Steinrauf, L.K.
登録日1999-05-30
公開日1999-06-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Molecular structure of the amyloid-forming protein kappa I Bre.
J.Biochem.(Tokyo), 125, 1999
5TBO
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BU of 5tbo by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421
分子名称: 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Phillips, M.
登録日2016-09-12
公開日2016-09-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria.
ACS Infect Dis, 2, 2016

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