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5KCG
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BU of 5kcg by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT (apo state) from Aspergillus terreus A8-4
分子名称: aromatic prenyltransferase
著者Sun, F, Gao, B.
登録日2016-06-06
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
4IIR
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BU of 4iir by Molmil
Crystal Structure of AMPPNP-bound Human PRPF4B kinase domain
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-20
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
5Z4Y
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BU of 5z4y by Molmil
Crystal structure of PaCysB NTD domain with space group P4
分子名称: Cys regulon transcriptional activator, GLYCEROL
著者Yang, C, Liang, H, Gan, J.
登録日2018-01-18
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
2BNI
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BU of 2bni by Molmil
pLI mutant E20C L16G Y17H, antiparallel
分子名称: GENERAL CONTROL PROTEIN GCN4
著者Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R.
登録日2005-03-24
公開日2005-03-30
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
5Z4Z
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BU of 5z4z by Molmil
Crystal structure of PaCysB NTD domain with space group C2
分子名称: SULFATE ION, Transcriptional regulator CysB
著者Yang, C, Liang, H, Gan, J.
登録日2018-01-15
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
5ZZ3
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BU of 5zz3 by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3
分子名称: Butyrophilin, subfamily 3, member A3 isoform b variant
著者Yang, Y.Y, Li, X, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-05-30
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
4N70
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BU of 4n70 by Molmil
Pim1 Complexed with a pyridylcarboxamide
分子名称: N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1
著者Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
登録日2013-10-14
公開日2013-11-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
5ZXK
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BU of 5zxk by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-05-21
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
1W5G
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BU of 1w5g by Molmil
An anti-parallel four helix bundle (acetimide modification).
分子名称: GENERAL CONTROL PROTEIN GCN4
著者Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R.
登録日2004-08-06
公開日2004-09-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
5KCQ
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BU of 5kcq by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with geranyl S-thiolodiphosphate
分子名称: GERANYL S-THIOLODIPHOSPHATE, aromatic prenyltransferase
著者Sun, F, Gao, B.
登録日2016-06-06
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
1W5I
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BU of 1w5i by Molmil
ABA does not affect topology of pLI.
分子名称: GENERAL CONTROL PROTEIN GCN4
著者Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R.
登録日2004-08-07
公開日2004-09-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
5KDA
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BU of 5kda by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with dimethylallyl S-thiolodiphosphate and genistein
分子名称: DIMETHYLALLYL S-THIOLODIPHOSPHATE, GENISTEIN, aromatic prenyltransferase
著者Sun, F, Gao, B.
登録日2016-06-07
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
5XK9
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BU of 5xk9 by Molmil
Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with GSPP and DMAPP
分子名称: DIMETHYLALLYL DIPHOSPHATE, GERANYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, ...
著者Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
登録日2017-05-05
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.137 Å)
主引用文献"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5Z50
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BU of 5z50 by Molmil
Crystal structure of PaCysB regulatory domain
分子名称: Cys regulon transcriptional activator, GLYCEROL, SULFATE ION
著者Yang, C, Liang, H, Gan, J.
登録日2018-01-15
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
4N6Y
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BU of 4n6y by Molmil
Pim1 Complexed with a phenylcarboxamide
分子名称: 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1
著者Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
登録日2013-10-14
公開日2013-11-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
4LEX
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BU of 4lex by Molmil
Unliganded crystal structure of mAb7
分子名称: FAB HEAVY CHAIN, FAB LIGHT CHAIN
著者Murray, J.M, Mukund, S.
登録日2013-06-26
公開日2013-11-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Inhibitory mechanism of an allosteric antibody targeting the glucagon receptor.
J.Biol.Chem., 288, 2013
4N6Z
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BU of 4n6z by Molmil
Pim1 Complexed with a pyridylcarboxamide
分子名称: 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
登録日2013-10-14
公開日2013-11-06
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
4LF3
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BU of 4lf3 by Molmil
Inhibitory Mechanism of an Allosteric Antibody Targeting the Glucagon Receptor
分子名称: Fab heavy chain, Fab light chain, Glucagon receptor
著者Murray, J.M, Mukund, S.
登録日2013-06-26
公開日2013-11-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.735 Å)
主引用文献Inhibitory mechanism of an allosteric antibody targeting the glucagon receptor.
J.Biol.Chem., 288, 2013
4LJR
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BU of 4ljr by Molmil
Structural insights into the unique single-stranded DNA binding mode of DNA processing protein A from Helicobacter pylori
分子名称: DNA processing chain A, single-stranded DNA
著者Wang, W.
登録日2013-07-05
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into the unique single-stranded DNA-binding mode of Helicobacter pylori DprA.
Nucleic Acids Res., 42, 2014
3S36
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BU of 3s36 by Molmil
Structural basis for the function of two anti-VEGF receptor antibodies
分子名称: 1121B heavy chain, 1121B light chain, Vascular endothelial growth factor receptor 2
著者Franklin, M.C.
登録日2011-05-17
公開日2011-08-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Structural Basis for the Function of Two Anti-VEGF Receptor 2 Antibodies.
Structure, 19, 2011
4LJL
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BU of 4ljl by Molmil
Structural insights into the unique single-stranded DNA binding mode of DNA processing protein A from Helicobacter pylori
分子名称: DNA processing chain A (DprA)
著者Wang, W.
登録日2013-07-05
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into the unique single-stranded DNA-binding mode of Helicobacter pylori DprA.
Nucleic Acids Res., 42, 2014
4LJK
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BU of 4ljk by Molmil
Structural insights into the unique single-stranded DNA binding mode of DNA processing protein A from Helicobacter pylori
分子名称: DNA processing chain A (DprA)
著者Wang, W.
登録日2013-07-05
公開日2014-01-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献Structural insights into the unique single-stranded DNA-binding mode of Helicobacter pylori DprA.
Nucleic Acids Res., 42, 2014
3SGT
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BU of 3sgt by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299
分子名称: 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid, Undecaprenyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2011-06-15
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
9FQI
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BU of 9fqi by Molmil
E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7)
分子名称: 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2024-06-17
公開日2024-07-31
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
J.Med.Chem., 67, 2024
9FQJ
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BU of 9fqj by Molmil
E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12)
分子名称: 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2024-06-17
公開日2024-07-31
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.563 Å)
主引用文献Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
J.Med.Chem., 67, 2024

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