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8J2M
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BU of 8j2m by Molmil
The truncated rice Na+/H+ antiporter SOS1 (1-976) in a constitutively active state
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Na+/H+ antiporter
著者Zhang, X.Y, Tang, L.H, Zhang, C.R, Nie, J.W.
登録日2023-04-14
公開日2023-11-22
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure and activation mechanism of the rice Salt Overly Sensitive 1 (SOS1) Na + /H + antiporter.
Nat.Plants, 9, 2023
2ICT
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BU of 2ict by Molmil
Crystal structure of the bacterial antitoxin HigA from Escherichia coli at pH 8.5. Northeast Structural Genomics TARGET ER390.
分子名称: antitoxin higa
著者Arbing, M.A, Abashidze, M, Hurley, J.M, Zhao, L, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Inouye, M, Woychik, N.A, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2006-09-13
公開日2006-09-26
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
2RAD
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BU of 2rad by Molmil
Crystal structure of the succinoglycan biosynthesis protein. Northeast structural Genomics Consortium target BcR135
分子名称: Succinoglycan biosynthesis protein
著者Kuzin, A.P, Abashidze, M, Seetharaman, J, Wang, H, Mao, L, Cunningham, K, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-09-14
公開日2007-10-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of the succinoglycan biosynthesis protein.
To be Published
2YDI
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BU of 2ydi by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
分子名称: 5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION
著者Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
登録日2011-03-21
公開日2012-04-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2YDJ
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BU of 2ydj by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
分子名称: 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
登録日2011-03-22
公開日2012-01-25
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2YDK
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BU of 2ydk by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
分子名称: 2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
著者Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
登録日2011-03-22
公開日2012-04-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
3PZE
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BU of 3pze by Molmil
JNK1 in complex with inhibitor
分子名称: 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide, Mitogen-activated protein kinase 8, SULFATE ION
著者Xue, Y.
登録日2010-12-14
公開日2011-12-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide (AZD7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
4F2V
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BU of 4f2v by Molmil
Crystal Structure of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR165
分子名称: DI(HYDROXYETHYL)ETHER, DODECYL-ALPHA-D-MALTOSIDE, De novo designed serine hydrolase
著者Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2012-05-08
公開日2012-05-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
2X8E
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BU of 2x8e by Molmil
Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration
分子名称: 5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION
著者Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
登録日2010-03-09
公開日2010-08-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
2X8I
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BU of 2x8i by Molmil
Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration
分子名称: 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
著者Read, J.A, Breed, J, Haye, H, McCall, E, Otterbein, L, Vallentine, A, White, A.
登録日2010-03-09
公開日2010-08-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
2X8D
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BU of 2x8d by Molmil
Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration
分子名称: 5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION
著者Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
登録日2010-03-08
公開日2010-08-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
5GPL
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BU of 5gpl by Molmil
Crystal structure of Ccp1
分子名称: Putative nucleosome assembly protein C36B7.08c
著者Yin, F, Gao, F, Chen, Y.
登録日2016-08-03
公開日2016-11-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
2BJY
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BU of 2bjy by Molmil
The X-ray crystal structure of Listeria innocua Dps H31G-H43G mutant.
分子名称: NON-HEME IRON-CONTAINING FERRITIN
著者Ilari, A, Stefanini, S, Chiancone, E.
登録日2005-02-08
公開日2005-02-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Unusual Intersubunit Ferroxidase Center of Listeria Innocua Dps is Required for Hydrogen Peroxide Detoxification But not for Iron Uptake. A Study with Site-Specific Mutants
Biochemistry, 44, 2005
2BKC
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BU of 2bkc by Molmil
The X-ray structure of the H43G Listeria innocua Dps mutant
分子名称: NON-HEME IRON-CONTAINING FERRITIN
著者Ilari, A, Stefanini, S, Chiancone, E.
登録日2005-02-15
公開日2005-02-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The unusual intersubunit ferroxidase center of Listeria innocua Dps is required for hydrogen peroxide detoxification but not for iron uptake. A study with site-specific mutants.
Biochemistry, 44, 2005
5GPK
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BU of 5gpk by Molmil
Crystal structure of Ccp1 mutant
分子名称: Putative nucleosome assembly protein C36B7.08c
著者Yin, F, Gao, F, Chen, Y.
登録日2016-08-03
公開日2016-11-30
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
2EWO
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BU of 2ewo by Molmil
X-ray structure of putative agmatine deiminase Q8DW17, Northeast Structural Genomics target SmR6.
分子名称: Putative agmatine deiminase
著者Kuzin, A.P, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2005-11-04
公開日2005-12-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray structure of putative agmatine deiminase Q8DW17, Northeast Structural Genomics target SmR6.
TO BE PUBLISHED
2HFD
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BU of 2hfd by Molmil
NMR structure of protein Hydrogenase-1 operon protein hyaE from Escherichia coli: Northeast Structural Genomics Consortium Target ER415
分子名称: Hydrogenase-1 operon protein hyaE
著者Singarapu, K.K, Liu, G, Eletsky, A, Parish, D, Atreya, H.S, Xu, D, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2006-06-23
公開日2006-08-22
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Protein chaperones Q8ZP25_SALTY from Salmonella typhimurium and HYAE_ECOLI from Escherichia coli exhibit thioredoxin-like structures despite lack of canonical thioredoxin active site sequence motif.
J.STRUCT.FUNCT.GENOM., 9, 2008
6D6Y
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BU of 6d6y by Molmil
AprA Methyltransferase 2 - GNAT didomain in complex with SAH
分子名称: AprA Methyltransferase 2, S-ADENOSYL-L-HOMOCYSTEINE, trimethylamine oxide
著者Sikkema, A.P, Smith, J.L.
登録日2018-04-23
公開日2018-05-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献Biosynthesis of t-Butyl in Apratoxin A: Functional Analysis and Architecture of a PKS Loading Module.
ACS Chem. Biol., 13, 2018
8HF2
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BU of 8hf2 by Molmil
Cryo-EM structure of WeiTsing
分子名称: PRA1 family protein
著者Qin, L, Tang, L.H, Chen, Y.H.
登録日2022-11-09
公開日2023-06-21
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.14 Å)
主引用文献WeiTsing, a pericycle-expressed ion channel, safeguards the stele to confer clubroot resistance.
Cell, 186, 2023
2M3J
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BU of 2m3j by Molmil
Solution Structure of Marine Sponge-Derived Asteropsin E Which is Highly Resistant to Gastrointestinal Proteases
分子名称: Asteropsin_E
著者Li, H, Jung, J.H.
登録日2013-01-21
公開日2014-03-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution Structure of Marine Sponge-Derived Asteropsin E Which is Highly Resistant to Gastrointestinal Proteases
To be Published
2LZY
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BU of 2lzy by Molmil
Solution NMR structure of asteropsin c from a marine sponge asteropus sp.
分子名称: ABU8-3
著者Li, H, Bowling, J.J, Hamann, M.T, Jung, J.H.
登録日2012-10-12
公開日2013-10-23
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献Sponge Derived Linear Knottins as a Novel Scaffold for Oral Peptide Drug Administration
To be Published
2LZX
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BU of 2lzx by Molmil
Solution NMR structure of Asteropsin B from a marine sponge Asteropus sp.
分子名称: Asteropsin B
著者Li, H, Bowling, J.J, Hamann, M.T, Jung, J.H.
登録日2012-10-11
公開日2013-10-23
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Sponge Derived Linear Knottins as a Novel Scaffold for Oral Peptide Drug Administration
To be Published
4ZKI
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BU of 4zki by Molmil
The crystal structure of Histidine Kinase YycG with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Histidine kinase
著者Cai, Y.
登録日2015-04-30
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.401 Å)
主引用文献Conformational dynamics of the essential sensor histidine kinase WalK
Acta Crystallogr D Struct Biol, 73, 2017
4U7N
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BU of 4u7n by Molmil
Inactive structure of histidine kinase
分子名称: Histidine protein kinase sensor protein
著者Cai, Y, Hu, X, Sang, J.
登録日2014-07-31
公開日2015-09-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017
4U7O
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BU of 4u7o by Molmil
Active histidine kinase bound with ATP
分子名称: AMP PHOSPHORAMIDATE, Histidine protein kinase sensor protein
著者Cai, Y, Hu, X, Sang, J.
登録日2014-07-31
公開日2015-09-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017

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