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4OPF
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BU of 4opf by Molmil
Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmH KS8
分子名称: NRPS/PKS
著者Osipiuk, J, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2014-02-05
公開日2014-02-19
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4OI7
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BU of 4oi7 by Molmil
RAGE recognizes nucleic acids and promotes inflammatory responses to DNA
分子名称: 1,2-ETHANEDIOL, 5'-D(*CP*AP*CP*GP*TP*TP*CP*GP*TP*AP*GP*CP*AP*TP*CP*GP*TP*TP*GP*CP*AP*G)-3', 5'-D(*CP*TP*GP*CP*AP*AP*CP*GP*AP*TP*GP*CP*TP*AP*CP*GP*AP*AP*CP*GP*TP*G)-3', ...
著者Jin, T, Jiang, J, Xiao, T.
登録日2014-01-19
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.104 Å)
主引用文献RAGE is a nucleic acid receptor that promotes inflammatory responses to DNA.
J.Exp.Med., 210, 2013
4OEY
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BU of 4oey by Molmil
Crystal structure of AR-LBD bound with co-regulator peptide
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION, ...
著者Liu, J.S, Hsu, C.L, Wu, W.G.
登録日2014-01-14
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OH6
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BU of 4oh6 by Molmil
Crystal structure of T877A-AR-LBD bound with co-regulator peptide
分子名称: Androgen receptor, HYDROXYFLUTAMIDE, Protein BUD31 homolog, ...
著者Liu, J.S, Hsu, C.L, Wu, W.G.
登録日2014-01-17
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.56 Å)
主引用文献Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OKB
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BU of 4okb by Molmil
Crystal structure of W741L-AR-LBD bound with co-regulator peptide
分子名称: Androgen receptor, Protein BUD31 homolog, R-BICALUTAMIDE, ...
著者Liu, J.S, Hsu, C.L, Wu, W.G.
登録日2014-01-22
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OI8
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BU of 4oi8 by Molmil
RAGE is a nucleic acid receptor that promotes inflammatory responses to DNA.
分子名称: 5'-D(*CP*CP*AP*TP*GP*AP*CP*TP*GP*TP*AP*GP*GP*AP*AP*AP*CP*TP*CP*TP*AP*GP*A)-3', 5'-D(*CP*TP*CP*TP*AP*GP*AP*GP*TP*TP*TP*CP*CP*TP*AP*CP*AP*GP*TP*CP*AP*TP*G)-3', Advanced glycosylation end product-specific receptor
著者Jin, T, Jiang, J, Xiao, T.
登録日2014-01-19
公開日2014-04-30
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献RAGE is a nucleic acid receptor that promotes inflammatory responses to DNA.
J.Exp.Med., 210, 2013
4OQJ
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BU of 4oqj by Molmil
Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmQ KS1
分子名称: GLYCEROL, PHOSPHATE ION, PKS, ...
著者Nocek, B, Mack, J, Endras, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2014-02-09
公開日2014-03-19
最終更新日2016-11-02
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4OED
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BU of 4oed by Molmil
Crystal structure of AR-LBD bound with co-regulator peptide
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Protein BUD31 homolog, ...
著者Liu, J.S, Hsu, C.L, Wu, W.G.
登録日2014-01-13
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OKW
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BU of 4okw by Molmil
Crystal structure of W741L-AR-LBD bound with co-regulator peptide
分子名称: Androgen receptor, R-BICALUTAMIDE, co-regulator peptide
著者Liu, J.S, Hsu, C.L, Wu, W.G.
登録日2014-01-23
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OIL
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BU of 4oil by Molmil
Crystal structure of T877A-AR-LBD bound with co-regulator peptide
分子名称: Androgen receptor, HYDROXYFLUTAMIDE, co-regulator peptide
著者Liu, J.S, Hsu, C.L, Wu, W.G.
登録日2014-01-19
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
3QYF
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BU of 3qyf by Molmil
Crystal structure of the CRISPR-associated protein SSO1393 from Sulfolobus solfataricus
分子名称: CRISPR-ASSOCIATED PROTEIN, MAGNESIUM ION
著者Petit, P, Xu, X, Chang, C, Savchenko, A, Yakunin, A.F.
登録日2011-03-03
公開日2011-03-23
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the CRISPR-associated protein SSO1393 from Sulfolobus solfataricus
To be Published
7K7F
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BU of 7k7f by Molmil
Solution Structure of the Corynebacterium diphtheriae SpaA Pilin-Signal Peptide Complex
分子名称: Putative surface-anchored fimbrial subunit, SpaA sorting signal peptide
著者McConnell, S.A, Clubb, R.T.
登録日2020-09-22
公開日2021-03-10
最終更新日2021-04-21
実験手法SOLUTION NMR
主引用文献Sortase-assembled pili in Corynebacterium diphtheriae are built using a latch mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KAC
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BU of 7kac by Molmil
Crystal structure of HPK1 (MAP4K1) kinase in complex with 5-{[4-{[(1S)-2-HYDROXY-1-PHENYLETHYL]AMINO}-5-(1,3,4-OXADIAZOL-2-YL)PYRIMIDIN-2-YL]AMINO}-3,3-DIMETHYL-2-BENZOFURAN-1(3H)-ONE
分子名称: 5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one, Isoform 2 of Mitogen-activated protein kinase kinase kinase kinase 1
著者Sheriff, S.
登録日2020-09-30
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Using yeast surface display to engineer a soluble and crystallizable construct of hematopoietic progenitor kinase 1 (HPK1).
Acta Crystallogr.,Sect.F, 77, 2021
7K3N
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BU of 7k3n by Molmil
Crystal Structure of NSP1 from SARS-CoV-2
分子名称: Host translation inhibitor nsp1
著者Semper, C, Watanabe, N, Chang, C, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-11
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural characterization of nonstructural protein 1 from SARS-CoV-2.
Iscience, 24, 2021
1OB0
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BU of 1ob0 by Molmil
Kinetic stabilization of Bacillus licheniformis alpha-amylase through introduction of hydrophobic residues at the surface
分子名称: ALPHA-AMYLASE, CALCIUM ION, SODIUM ION
著者Machius, M, Declerck, N, Huber, R, Wiegand, G.
登録日2003-01-21
公開日2003-01-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Kinetic Stabilization of Bacillus Licheniformis Alpha-Amylase Through Introduction of Hydrophobic Residues at the Surface
J.Biol.Chem., 278, 2003
1BLI
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BU of 1bli by Molmil
BACILLUS LICHENIFORMIS ALPHA-AMYLASE
分子名称: ALPHA-AMYLASE, CALCIUM ION, SODIUM ION
著者Machius, M, Declerck, N, Huber, R, Wiegand, G.
登録日1998-01-07
公開日1999-03-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Activation of Bacillus licheniformis alpha-amylase through a disorder-->order transition of the substrate-binding site mediated by a calcium-sodium-calcium metal triad.
Structure, 6, 1998
2HVD
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BU of 2hvd by Molmil
Human nucleoside diphosphate kinase A complexed with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A
著者Giraud, M.-F, Georgescauld, F, Lascu, I, Dautant, A.
登録日2006-07-28
公開日2006-09-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structures of S120G Mutant and Wild Type of Human Nucleoside Diphosphate Kinase A in Complex with ADP
J.Bioenerg.Biomembr., 38, 2006
2HVE
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BU of 2hve by Molmil
S120G mutant of human nucleoside diphosphate kinase A complexed with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A
著者Giraud, M.-F, Georgescauld, F, Lascu, I, Dautant, A.
登録日2006-07-28
公開日2006-09-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Crystal Structures of S120G Mutant and Wild Type of Human Nucleoside Diphosphate Kinase A in Complex with ADP
J.Bioenerg.Biomembr., 38, 2006
7KAG
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BU of 7kag by Molmil
Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2
分子名称: 1,2-ETHANEDIOL, Non-structural protein 3, SULFATE ION
著者Stogios, P.J, Skarina, T, Chang, C, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-30
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2
To Be Published
6LEV
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BU of 6lev by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 46 and NADPH
分子名称: 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2019-11-27
公開日2020-12-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.644 Å)
主引用文献Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
6LEU
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BU of 6leu by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 42 and NADPH
分子名称: 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2019-11-27
公開日2020-12-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
6LHJ
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BU of 6lhj by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C452 (compound 16) and NADPH
分子名称: 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2019-12-09
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
6LH9
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BU of 6lh9 by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 46 and NADPH
分子名称: 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2019-12-07
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.644 Å)
主引用文献Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
6LEZ
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BU of 6lez by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 46 and NADPH
分子名称: 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2019-11-27
公開日2020-12-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.644 Å)
主引用文献Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
6LHI
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BU of 6lhi by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C466 (compound 42) and NADPH
分子名称: 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2019-12-09
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020

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