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3KOA
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BU of 3koa by Molmil
M296I mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA and GTP
分子名称: 3D polymerase, DIPHOSPHATE, MAGNESIUM ION, ...
著者Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R.
登録日2009-11-13
公開日2010-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin
J.Virol., 84, 2010
1FB2
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BU of 1fb2 by Molmil
STRUCTURE OF PHOSPHOLIPASE A2 FROM DABOIA RUSSELLI PULCHELLA AT 1.95
分子名称: PHOSPHOLIPASE A2
著者Chandra, V, Kaur, P, Betzel, C, Singh, T.P.
登録日2000-07-14
公開日2001-07-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Regulation of catalytic function by molecular association: structure of phospholipase A2 from Daboia russelli pulchella (DPLA2) at 1.9 A resolution.
Acta Crystallogr.,Sect.D, 57, 2001
5G05
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BU of 5g05 by Molmil
Cryo-EM structure of combined apo phosphorylated APC
分子名称: ANAPHASE-PROMOTING COMPLEX SUBUNIT 1, ANAPHASE-PROMOTING COMPLEX SUBUNIT 10, ANAPHASE-PROMOTING COMPLEX SUBUNIT 11, ...
著者Zhang, S, Chang, L, Alfieri, C, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D.
登録日2016-03-16
公開日2016-05-25
最終更新日2019-09-11
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Molecular Mechanism of Apc/C Activation by Mitotic Phosphorylation.
Nature, 533, 2016
3TL5
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BU of 3tl5 by Molmil
Discovery of GDC-0980: a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor for the Treatment of Cancer
分子名称: (2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M, Wiesmann, C.
登録日2011-08-29
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.788 Å)
主引用文献Discovery of a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor (GDC-0980) for the Treatment of Cancer.
J.Med.Chem., 54, 2011
3KNA
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BU of 3kna by Molmil
M296I mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA
分子名称: 3D polymerase, MAGNESIUM ION, RNA (5'-R(*AP*UP*GP*GP*GP*CP*C)-3'), ...
著者Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R.
登録日2009-11-12
公開日2010-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin
J.Virol., 84, 2010
6RAV
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BU of 6rav by Molmil
Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
分子名称: 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ...
著者Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J.
登録日2019-04-08
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
1FJK
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BU of 1fjk by Molmil
NMR Solution Structure of Phospholamban (C41F)
分子名称: CARDIAC PHOSPHOLAMBAN
著者Lamberth, S, Griesinger, C, Schmid, H, Carafoli, E, Muenchbach, M, Vorherr, T, Krebs, J.
登録日2000-08-08
公開日2000-09-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR Solution Structure of Phospholamban
HELV.CHIM.ACTA, 83, 2000
1FJP
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BU of 1fjp by Molmil
NMR Solution Structure of Phospholamban (C41F)
分子名称: CARDIAC PHOSPHOLAMBAN
著者Lamberth, S, Griesinger, C, Schmid, H, Carafoli, E, Muenchbach, M, Vorherr, T, Krebs, J.
登録日2000-08-08
公開日2000-09-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR Solution Structure of Phospholamban
HELV.CHIM.ACTA, 83, 2000
1FO4
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BU of 1fo4 by Molmil
CRYSTAL STRUCTURE OF XANTHINE DEHYDROGENASE ISOLATED FROM BOVINE MILK
分子名称: 2-HYDROXYBENZOIC ACID, CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, ...
著者Enroth, C, Eger, B.T, Okamoto, K, Nishino, T, Nishino, T, Pai, E.F.
登録日2000-08-24
公開日2000-10-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of bovine milk xanthine dehydrogenase and xanthine oxidase: structure-based mechanism of conversion.
Proc.Natl.Acad.Sci.USA, 97, 2000
1FFX
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BU of 1ffx by Molmil
TUBULIN:STATHMIN-LIKE DOMAIN COMPLEX
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, PROTEIN (STATHMIN-LIKE DOMAIN OF RB3), ...
著者Gigant, B, Martin-Barbey, C, Knossow, M.
登録日2000-07-26
公開日2000-09-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.95 Å)
主引用文献The 4 A X-ray structure of a tubulin:stathmin-like domain complex.
Cell(Cambridge,Mass.), 102, 2000
3L17
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BU of 3l17 by Molmil
Discovery of (thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer
分子名称: 4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M, Wiesmann, C.
登録日2009-12-10
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer.
J.Med.Chem., 53, 2010
1FF5
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BU of 1ff5 by Molmil
STRUCTURE OF E-CADHERIN DOUBLE DOMAIN
分子名称: CALCIUM ION, EPITHELIAL CADHERIN
著者Pertz, O, Bozic, D, Koch, A.W, Fauser, C, Brancaccio, A, Engel, J.
登録日2000-07-25
公開日2000-08-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献A new crystal structure, Ca2+ dependence and mutational analysis reveal molecular details of E-cadherin homoassociation.
EMBO J., 18, 1999
3L13
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BU of 3l13 by Molmil
Crystal Structures of Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors
分子名称: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, [3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol
著者Murray, J.M, Wiesmann, C.
登録日2009-12-10
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer.
J.Med.Chem., 53, 2010
3KLV
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BU of 3klv by Molmil
M296I G62S mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA
分子名称: 3D polymerase, MAGNESIUM ION, RNA (5'-R(*AP*UP*GP*GP*GP*CP*C)-3'), ...
著者Ferrer-Orta, C, Sierra, M, Agudo, R, Perez-Luque, R, Arias, A, Verdaguer, N.
登録日2009-11-09
公開日2010-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin
J.Virol., 84, 2010
3KMQ
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BU of 3kmq by Molmil
G62S mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA, tetragonal structure
分子名称: 3D polymerase, RNA (5'-R(*GP*GP*CP*CP*C)-3'), RNA (5'-R(P*GP*GP*GP*CP*C)-3')
著者Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R.
登録日2009-11-11
公開日2010-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin
J.Virol., 84, 2010
3U8W
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BU of 3u8w by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Triazolopyridazinone inhibitor
分子名称: 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14
著者Mohr, C, Jordan, S.
登録日2011-10-17
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of triazolopyridazinones as potent p38alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3LPI
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BU of 3lpi by Molmil
Structure of BACE Bound to SCH745132
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2010-02-05
公開日2010-04-14
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
4N7G
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BU of 4n7g by Molmil
Crystal structure of 14-3-3zeta in complex with a peptide derived from ExoS
分子名称: 14-3-3 protein zeta/delta, Exoenzyme S, HEXAETHYLENE GLYCOL
著者Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
登録日2013-10-15
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
5WZK
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BU of 5wzk by Molmil
Structure of APUM23-deletion-of-insert-region-GGAAUUGACGG
分子名称: Pumilio homolog 23, RNA (5'-R(*GP*GP*AP*AP*UP*UP*GP*AP*CP*GP*G)-3')
著者Bao, H, Wang, N, Wang, C, Jiang, Y, Wu, J, Shi, Y.
登録日2017-01-18
公開日2017-09-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the specific recognition of 18S rRNA by APUM23.
Nucleic Acids Res., 45, 2017
4MOA
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BU of 4moa by Molmil
Crystal structure of CRY4BA-R203Q TOXIN
分子名称: Pesticidal crystal protein cry4Ba
著者Thamwiriyasati, N, Angsuthanasombat, C, Chen, C.-J.
登録日2013-09-11
公開日2014-12-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potential Prepore Trimer Formation by the Bacillus thuringiensis Mosquito-specific Toxin: MOLECULAR INSIGHTS INTO A CRITICAL PREREQUISITE OF MEMBRANE-BOUND MONOMERS
J.Biol.Chem., 290, 2015
5WOE
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BU of 5woe by Molmil
Solution structure of the sorting nexin 25 phox-homology domain
分子名称: Sorting nexin-25
著者Chin, Y.K.Y, Mas, C, Mobli, M, Collins, B.M.
登録日2017-08-01
公開日2018-08-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
5WPY
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BU of 5wpy by Molmil
Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis
分子名称: N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide, Peptidyl carrier protein
著者Zhao, B, Lan, W, Tang, G, Cao, C.
登録日2016-11-21
公開日2017-11-29
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献major solution Structure of KstB-PCP in kosinostatin biosynthesis
To Be Published
5W96
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BU of 5w96 by Molmil
Solution structure of phage derived peptide inhibitor of frizzled 7 receptor
分子名称: Fz7 binding peptide
著者Nile, A.H, de Sousa e Melo, F, Mukund, S, Piskol, R, Hansen, S, Zhou, L, Zhang, Y, Fu, Y, Gogol, E.B, Komuves, L.G, Modrusan, Z, Angers, S, Franke, Y, Koth, C, Fairbrother, W.J, Wang, W, de Sauvage, F.J, Hannoush, R.N.
登録日2017-06-22
公開日2018-04-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells.
Nat. Chem. Biol., 14, 2018
5WPX
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BU of 5wpx by Molmil
Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis
分子名称: Peptidyl carrier protein, ~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate
著者Zhao, B, Lan, W, Tang, G, Cao, C.
登録日2016-11-21
公開日2018-02-07
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis
To Be Published
4MR4
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BU of 4mr4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-208)
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-09-17
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013

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