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3N9N
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BU of 3n9n by Molmil
ceKDM7A from C.elegans, complex with H3K4me3K9me2 peptide and NOG
分子名称: FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ...
著者Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y.
登録日2010-05-31
公開日2010-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
3N9O
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BU of 3n9o by Molmil
ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K9me2 peptide and NOG
分子名称: FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ...
著者Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y.
登録日2010-05-31
公開日2010-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.309 Å)
主引用文献Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
3RBM
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BU of 3rbm by Molmil
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH -703
分子名称: 3-(2,2-diphosphonoethyl)-1-dodecyl-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Liu, Y.L, No, J.H, Oldfield, E.
登録日2011-03-29
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
3RYW
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BU of 3ryw by Molmil
Crystal structure of P. vivax geranylgeranyl diphosphate synthase complexed with BPH-811
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION, ...
著者No, J.H, Liu, Y.-L, Zhang, Y, Oldfield, E.
登録日2011-05-11
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
2N7E
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BU of 2n7e by Molmil
Solution structure of the UBL domain of yeast Ddi1
分子名称: DNA damage-inducible protein 1
著者Siva, M, Grantz Saskova, K, Veverka, V.
登録日2015-09-09
公開日2016-07-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural studies of the yeast DNA damage-inducible protein Ddi1 reveal domain architecture of this eukaryotic protein family.
Sci Rep, 6, 2016
5V8U
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BU of 5v8u by Molmil
Small Molecule Inhibitor ABS-143 Bound to the Botulinum Neurotoxin Serotype A Light Chain
分子名称: Botulinum neurotoxin type A, N-[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]-2-sulfanylacetamide, ZINC ION
著者Allen, K.N, Silvaggi, N.R.
登録日2017-03-22
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Small molecule metalloprotease inhibitor with in vitro, ex vivo and in vivo efficacy against botulinum neurotoxin serotype A.
Toxicon, 137, 2017
4FGY
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BU of 4fgy by Molmil
Identification of a unique PPAR ligand with an unexpected binding mode and antibetic activity
分子名称: (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
著者Wang, R, Li, Y.
登録日2012-06-05
公開日2013-03-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Identification of the antibiotic ionomycin as an unexpected peroxisome proliferator-activated receptor Gamma (PPAR-gamma) ligand with a unique binding mode and effective glucose-lowering activity in a mouse model of diabetes.
Diabetologia, 56, 2013
3UE1
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BU of 3ue1 by Molmil
Crystal strucuture of Acinetobacter baumanni PBP1A in complex with MC-1
分子名称: (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro- 1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate, Penicillin-binding protein 1a
著者Han, S.
登録日2011-10-28
公開日2011-12-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
3UDI
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BU of 3udi by Molmil
Crystal structure of Acinetobacter baumannii PBP1a in complex with penicillin G
分子名称: OPEN FORM - PENICILLIN G, Penicillin-binding protein 1a
著者Han, S.
登録日2011-10-28
公開日2011-12-14
最終更新日2013-06-26
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
3UDF
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BU of 3udf by Molmil
Crystal structure of Apo PBP1a from Acinetobacter baumannii
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Penicillin-binding protein 1a
著者Han, S.
登録日2011-10-28
公開日2011-12-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
3VKD
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BU of 3vkd by Molmil
Crystal structure of MoeO5 soaked with 3-phosphoglycerate
分子名称: (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5, ...
著者Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T.
登録日2011-11-12
公開日2012-05-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
3VK5
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BU of 3vk5 by Molmil
Crystal structure of MoeO5 in complex with its product FPG
分子名称: (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5
著者Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T.
登録日2011-11-08
公開日2012-05-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
3VKC
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BU of 3vkc by Molmil
Crystal structure of MoeO5 soaked with pyrophosphate
分子名称: (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5, ...
著者Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T.
登録日2011-11-12
公開日2012-05-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
3VKB
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BU of 3vkb by Molmil
Crystal structure of MoeO5 soaked with FsPP overnight
分子名称: CHLORIDE ION, MAGNESIUM ION, MoeO5, ...
著者Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T.
登録日2011-11-11
公開日2012-05-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
3UE3
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BU of 3ue3 by Molmil
Crystal structure of Acinetobacter baumanni PBP3
分子名称: Septum formation, penicillin binding protein 3, peptidoglycan synthetase
著者Han, S.
登録日2011-10-28
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
3UE0
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BU of 3ue0 by Molmil
Crystal structure of Acinetobacter baumannii PBP1a in complex with Aztreonam
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Penicillin-binding protein 1a
著者Han, S.
登録日2011-10-28
公開日2011-12-14
最終更新日2013-06-26
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
3UDX
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BU of 3udx by Molmil
Crystal structure of Acinetobacter baumannii PBP1a in complex with Imipenem
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 1a
著者Han, S.
登録日2011-10-28
公開日2011-12-14
最終更新日2013-06-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
4HOW
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BU of 4how by Molmil
The crystal structure of isomaltulose synthase from Erwinia rhapontici NX5
分子名称: CALCIUM ION, GLYCEROL, Sucrose isomerase
著者Xu, Z, Li, S, Xu, H, Zhou, J.
登録日2012-10-22
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structural Basis of Erwinia rhapontici Isomaltulose Synthase
Plos One, 8, 2013
4HPH
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BU of 4hph by Molmil
The crystal structure of isomaltulose synthase mutant E295Q from Erwinia rhapontici NX5 in complex with its natural substrate sucrose
分子名称: CALCIUM ION, GLYCEROL, Sucrose isomerase, ...
著者Xu, Z, Li, S, Xu, H, Zhou, J.
登録日2012-10-23
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structural Basis of Erwinia rhapontici Isomaltulose Synthase
Plos One, 8, 2013
4HOZ
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BU of 4hoz by Molmil
The crystal structure of isomaltulose synthase mutant D241A from Erwinia rhapontici NX5 in complex with D-glucose
分子名称: CALCIUM ION, GLYCEROL, Sucrose isomerase, ...
著者Xu, Z, Li, S, Xu, H, Zhou, J.
登録日2012-10-23
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structural Basis of Erwinia rhapontici Isomaltulose Synthase
Plos One, 8, 2013
3VKA
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BU of 3vka by Molmil
Crystal structure of MoeO5 soaked for 3 hours in FsPP
分子名称: (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5
著者Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T.
登録日2011-11-11
公開日2012-05-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
8WC7
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BU of 8wc7 by Molmil
Cryo-EM structure of the ZH8667-bound mTAAR1-Gs complex
分子名称: 2-[4-(3-fluorophenyl)phenyl]ethanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
登録日2023-09-11
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC3
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BU of 8wc3 by Molmil
Cryo-EM structure of the SEP363856-bound mTAAR1-Gs complex
分子名称: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
登録日2023-09-11
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC4
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BU of 8wc4 by Molmil
Cryo-EM structure of the ZH8651-bound mTAAR1-Gs complex
分子名称: 2-(4-bromophenyl)ethanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
登録日2023-09-11
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
8WC9
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BU of 8wc9 by Molmil
Cryo-EM structure of the ZH8651-bound mTAAR1-Gq complex
分子名称: 2-(4-bromophenyl)ethanamine, Engineered G-alpha-q subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P.
登録日2023-09-11
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023

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