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3HUI
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BU of 3hui by Molmil
Crystal Structure of the mutant A105R of [2Fe-2S] Ferredoxin in the Class I CYP199A2 System from Rhodopseudomonas palustris
分子名称: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin
著者Bell, S.G, Xu, F, Rao, Z, Wong, L.-L.
登録日2009-06-14
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Protein recognition in ferredoxin-P450 electron transfer in the class I CYP199A2 system from Rhodopseudomonas palustris
J.Biol.Inorg.Chem., 15, 2010
5XSW
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BU of 5xsw by Molmil
Crystal structure of an archaeal chitinase in the substrate-complex form (P63)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase, GLYCEROL, ...
著者Nishitani, Y, Miki, K.
登録日2017-06-15
公開日2018-05-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of an archaeal chitinase ChiD and its ligand complexes.
Glycobiology, 28, 2018
3IWW
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BU of 3iww by Molmil
Crystal structure of human glutamate carboxypeptidase II (GCPII) in a complex with DBIBzL, a urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Barinka, C, Lubkowski, J.
登録日2009-09-03
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bioisosterism of urea-based GCPII inhibitors: Synthesis and structure-activity relationship studies.
Bioorg.Med.Chem.Lett., 20, 2010
7BH2
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BU of 7bh2 by Molmil
Cryo-EM Structure of KdpFABC in E2Pi state with BeF3 and K+
分子名称: (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
著者Sweet, M.E, Larsen, C, Pedersen, B.P, Stokes, D.L.
登録日2021-01-09
公開日2021-01-27
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for potassium transport in prokaryotes by KdpFABC.
Proc.Natl.Acad.Sci.USA, 118, 2021
7BGY
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BU of 7bgy by Molmil
Cryo-EM Structure of KdpFABC in E2Pi state with MgF4
分子名称: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, MAGNESIUM ION, ...
著者Sweet, M.E, Larsen, C, Pedersen, B.P, Stokes, D.L.
登録日2021-01-09
公開日2021-01-27
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for potassium transport in prokaryotes by KdpFABC.
Proc.Natl.Acad.Sci.USA, 118, 2021
7BH1
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BU of 7bh1 by Molmil
Cryo-EM Structure of KdpFABC in E1 state with K
分子名称: (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ...
著者Sweet, M.E, Larsen, C, Pedersen, B.P, Stokes, D.L.
登録日2021-01-09
公開日2021-01-27
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Structural basis for potassium transport in prokaryotes by KdpFABC.
Proc.Natl.Acad.Sci.USA, 118, 2021
5XSX
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BU of 5xsx by Molmil
Crystal structure of an archaeal chitinase in the substrate-complex form (P212121)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, GLYCEROL, ...
著者Nishitani, Y, Miki, K.
登録日2017-06-15
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.642 Å)
主引用文献Crystal structures of an archaeal chitinase ChiD and its ligand complexes.
Glycobiology, 28, 2018
5XSV
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BU of 5xsv by Molmil
Crystal structure of an archaeal chitinase in the ligand-free form
分子名称: COBALT (II) ION, Chitinase, SULFATE ION
著者Nishitani, Y, Miki, K.
登録日2017-06-15
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.723 Å)
主引用文献Crystal structures of an archaeal chitinase ChiD and its ligand complexes.
Glycobiology, 28, 2018
3KO1
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BU of 3ko1 by Molmil
Cystal structure of thermosome from Acidianus tengchongensis strain S5
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperonin
著者Huo, Y, Zhang, K, Hu, Z, Wang, L, Zhai, Y, Zhou, Q, Lander, G, He, Y, Zhu, J, Xu, W, Dong, Z, Sun, F.
登録日2009-11-12
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Crystal structure of group II chaperonin in the open state.
Structure, 18, 2010
7CUV
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BU of 7cuv by Molmil
Crystal structure of a novel alpha/beta hydrolase in apo form
分子名称: alpha/beta hydrolase
著者Gao, J, Han, X, Zheng, Y.Y, Liu, W.D.
登録日2020-08-25
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
1K3H
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BU of 1k3h by Molmil
NMR Solution Structure of Oxidized Cytochrome c-553 from Bacillus pasteurii
分子名称: HEME C, cytochrome c-553
著者Banci, L, Bertini, I, Ciurli, S, Dikiy, A, Dittmer, J, Rosato, A, Sciara, G, Thompsett, A.R.
登録日2001-10-03
公開日2001-10-31
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献NMR solution structure, backbone mobility, and homology modeling of c-type cytochromes from gram-positive bacteria.
Chembiochem, 3, 2002
1K3G
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BU of 1k3g by Molmil
NMR Solution Structure of Oxidized Cytochrome c-553 from Bacillus pasteurii
分子名称: HEME C, cytochrome c-553
著者Banci, L, Bertini, I, Ciurli, S, Dikiy, A, Dittmer, J, Rosato, A, Sciara, G, Thompsett, A.R.
登録日2001-10-03
公開日2001-10-31
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献NMR solution structure, backbone mobility, and homology modeling of c-type cytochromes from gram-positive bacteria.
Chembiochem, 3, 2002
7E30
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BU of 7e30 by Molmil
Crystal structure of a novel alpha/beta hydrolase in apo form in complex with citrate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CITRIC ACID, SULFATE ION, ...
著者Gao, J, Han, X, Zheng, Y.Y, Liu, W.D.
登録日2021-02-07
公開日2022-02-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
7E31
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BU of 7e31 by Molmil
Crystal structure of a novel alpha/beta hydrolase mutant in apo form
分子名称: TRIETHYLENE GLYCOL, alpha/beta hydrolase
著者Gao, J, Han, X, Zheng, Y.Y, Liu, W.D.
登録日2021-02-07
公開日2022-02-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
8A92
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BU of 8a92 by Molmil
p53-Y220C Core Domain in Complex with a Bromo-trifluoro-pyrazole-amine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-3-amine, Cellular tumor antigen p53, ...
著者Stahlecker, J, Braun, M.B, Stehle, T, Boeckler, F.M.
登録日2022-06-27
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C.
Rsc Med Chem, 13, 2022
6VWW
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BU of 6vww by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2.
分子名称: ACETIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-02-20
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Protein Sci., 29, 2020
6QX4
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BU of 6qx4 by Molmil
Structure of the Bacillus anthracis Sap S-layer assembly domain
分子名称: Nanobody NbAF683, Nanobody NbAF694, S-layer protein sap
著者Remaut, H, Fioravanti, A.
登録日2019-03-07
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Structure of S-layer protein Sap reveals a mechanism for therapeutic intervention in anthrax.
Nat Microbiol, 4, 2019
4DSO
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BU of 4dso by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, BENZAMIDINE, GLYCEROL, ...
著者Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
登録日2012-02-19
公開日2012-04-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DSU
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BU of 4dsu by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
分子名称: BENZIMIDAZOLE, GTPase KRas, isoform 2B, ...
著者Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
登録日2012-02-19
公開日2012-04-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DST
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BU of 4dst by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
分子名称: 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ...
著者Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
登録日2012-02-19
公開日2012-04-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DSN
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BU of 4dsn by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
分子名称: 1,2-ETHANEDIOL, GTPase KRas, isoform 2B, ...
著者Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
登録日2012-02-19
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
2VW5
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BU of 2vw5 by Molmil
Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90
分子名称: (4E,8S,9R,10E,12S,13R,14S,16R)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, SULFATE ION
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2008-06-16
公開日2008-09-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimizing Natural Products by Biosynthetic Engineering: Discovery of Nonquinone Hsp90 Inhibitors.
J.Med.Chem., 51, 2008
6SLC
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BU of 6slc by Molmil
Mutations in SsgB correlate to longitudinal cell division during sporulation of Streptomyces coelicolor
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, PHOSPHATE ION, ...
著者Xiao, X.S, Willemse, J.
登録日2019-08-19
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ectopic positioning of the cell division plane is associated with single amino acid substitutions in the FtsZ-recruiting SsgB in Streptomyces .
Open Biology, 11, 2021
6W01
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BU of 6w01 by Molmil
The 1.9 A Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with a Citrate
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-02-28
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Protein Sci., 29, 2020
1P5Q
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BU of 1p5q by Molmil
Crystal Structure of FKBP52 C-terminal Domain
分子名称: FK506-binding protein 4, SULFATE ION
著者Wu, B, Li, P, Lou, Z, Shu, C, Ding, Y, Shen, B, Rao, Z.
登録日2003-04-28
公開日2004-06-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献3D structure of human FK506-binding protein 52: Implications for the assembly of the glucocorticoid receptor/Hsp90/immunophilin heterocomplex
Proc.Natl.Acad.Sci.USA, 101, 2004

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