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5G1W
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Apo Structure of Linalool Dehydratase-Isomerase
分子名称: 1,2-ETHANEDIOL, LINALOOL DEHYDRATASE/ISOMERASE, METHYLMALONIC ACID
著者Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G.
登録日2016-03-30
公開日2017-01-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural and functional insights into asymmetric enzymatic dehydration of alkenols.
Nat. Chem. Biol., 13, 2017
3LXS
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BU of 3lxs by Molmil
Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (WRR483)
分子名称: (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMID E, 1,2-ETHANEDIOL, Cruzain, ...
著者Kerr, I.D, Brinen, L.S.
登録日2010-02-25
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献In vitro and in vivo studies of the trypanocidal properties of WRR-483 against Trypanosoma cruzi.
Plos Negl Trop Dis, 4, 2010
5GXB
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BU of 5gxb by Molmil
crystal structure of a LacY/Nanobody complex
分子名称: Lactose permease, nanobody
著者Jiang, X, Wu, J.P, Yan, N, Kaback, H.R.
登録日2016-09-16
公開日2016-10-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of a LacY-nanobody complex in a periplasmic-open conformation.
Proc.Natl.Acad.Sci.USA, 113, 2016
5G5H
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BU of 5g5h by Molmil
Escherichia coli Periplasmic Aldehyde Oxidase R440H mutant
分子名称: ACETATE ION, Aldehyde oxidoreductase FAD-binding subunit PaoB, Aldehyde oxidoreductase iron-sulfur-binding subunit PaoA, ...
著者Correia, M.A.S, Otrelo-Cardoso, A.R, Romao, M.J, Santos-Silva, T.
登録日2016-05-25
公開日2016-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Escherichia Coli Periplasmic Aldehyde Oxidoreductase is an Exceptional Member of the Xanthine Oxidase Family of Molybdoenzymes.
Acs Chem.Biol., 11, 2016
3L7G
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BU of 3l7g by Molmil
Crystal structure of organophosphate anhydrolase/prolidase
分子名称: MANGANESE (II) ION, N,N'-bis(1-methylethyl)phosphorodiamidic acid, Xaa-Pro dipeptidase
著者Vyas, N.K, Nickitenko, A, Quiocho, F.A.
登録日2009-12-28
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insights into the dual activities of the nerve agent degrading organophosphate anhydrolase/prolidase.
Biochemistry, 49, 2010
6UCD
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BU of 6ucd by Molmil
The crystal structure of Staphylococcus aureus super antigen-like protein SSL10
分子名称: Exotoxin
著者Patel, D, Young, P.G, Bunker, R.D, Baker, E.N, Fraser, J.D.
登録日2019-09-16
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The crystal structure of Staphylococcus aureus super antigen-like protein SSL10
To Be Published
5GWG
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BU of 5gwg by Molmil
Solution structure of rattusin
分子名称: Defensin alpha-related sequence 1
著者Lee, C.W, Min, H.J.
登録日2016-09-11
公開日2017-04-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Rattusin structure reveals a novel defensin scaffold formed by intermolecular disulfide exchanges
Sci Rep, 7, 2017
5H3N
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BU of 5h3n by Molmil
Solution structure of human Gelsolin protein domain 1 at pH 7.3
分子名称: Gelsolin
著者Fan, J.S, Yang, D.
登録日2016-10-26
公開日2017-11-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Basis for pH-mediated Regulation of F-actin Severing by Gelsolin Domain 1.
Sci Rep, 7, 2017
3L7U
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Crystal structure of human NM23-H1
分子名称: Nucleoside diphosphate kinase A, PHOSPHATE ION
著者Han, B.G, Min, K, Lee, B.I, Lee, S.
登録日2009-12-29
公開日2010-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Refined Structure of Human NM23-H1 from a Hexagonal Crystal
BULL.KOREAN CHEM.SOC., 31, 2010
5GWM
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BU of 5gwm by Molmil
Solution structure of heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 3
分子名称: Metabotropic GABA-B receptor subtype 1, Metabotropic GABA-B receptor subtype 3, isoform A
著者Liu, X, Zhang, S, Zhang, C.X, Liu, J.
登録日2016-09-12
公開日2017-09-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 3
To Be Published
5GSF
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BU of 5gsf by Molmil
Structure of roseltide rT1
分子名称: roseltide rT1
著者Xiao, T, Tam, J.P.
登録日2016-08-16
公開日2017-01-25
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Identification and Characterization of Roseltide, a Knottin-type Neutrophil Elastase Inhibitor Derived from Hibiscus sabdariffa.
Sci Rep, 6, 2016
3L5Z
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BU of 3l5z by Molmil
Crystal structure of transcriptional regulator, GntR family from Bacillus cereus
分子名称: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Transcriptional regulator, ...
著者Chang, C, Hatzos, C, Feldmann, B, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-12-22
公開日2010-01-05
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of transcriptional regulator, GntR family from Bacillus cereus
To be Published
5GJL
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BU of 5gjl by Molmil
Solution structure of SUMO from Plasmodium falciparum
分子名称: Uncharacterized protein
著者Singh, J.S, Shukla, V.K, Gujrati, M, Mishra, R.K, Kumar, A.
登録日2016-06-30
公開日2017-08-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure, dynamics and interaction study of SUMO from Plasmodium falciparum
To Be Published
3L68
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BU of 3l68 by Molmil
Xenobiotic Reductase A - C25S variant with coumarin
分子名称: (R,R)-2,3-BUTANEDIOL, COUMARIN, FLAVIN MONONUCLEOTIDE, ...
著者Spiegelhauer, O, Dobbek, H.
登録日2009-12-23
公開日2010-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study
J.Mol.Biol., 398, 2010
5GGM
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The NMR structure of calmodulin in CTAB reverse micelles
分子名称: CALCIUM ION, Calmodulin, TERBIUM(III) ION
著者Xu, G, Cheng, K, Wu, Q, Liu, M, Li, C.
登録日2016-06-16
公開日2016-09-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The NMR structure of calmodulin in CTAB reverse micelles
To Be Published
5H1H
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BU of 5h1h by Molmil
NMR structure of SLBA, a chimera of SFTI
分子名称: Bradykinin-trypsin inhibitor secondary loop chimera
著者Xiao, T, Tam, J.P.
登録日2016-10-10
公開日2017-04-19
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor.
J. Med. Chem., 60, 2017
5H1I
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BU of 5h1i by Molmil
NMR structure of TIBA, a chimera of SFTI
分子名称: Bradykinin-trypsin inhibitor secondary loop chimera
著者Xiao, T, Tam, J.P.
登録日2016-10-10
公開日2017-04-19
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor.
J. Med. Chem., 60, 2017
3L6J
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BU of 3l6j by Molmil
Structure of cinaciguat (bay 58-2667) bound to nostoc H-NOX domain
分子名称: 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein
著者Martin, F, van den Akker, F.
登録日2009-12-23
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of cinaciguat (BAY 58-2667) bound to Nostoc H-NOX domain reveals insights into heme-mimetic activation of the soluble guanylyl cyclase.
J.Biol.Chem., 285, 2010
3L8W
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BU of 3l8w by Molmil
Urate oxidase from aspergillus flavus complexed with xanthin
分子名称: SODIUM ION, Uricase, XANTHINE, ...
著者Prange, T, Gabison, L, Colloc'h, N, Chiadmi, M.
登録日2010-01-04
公開日2010-06-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Near-atomic resolution structures of urate oxidase complexed with its substrate and analogues: the protonation state of the ligand.
Acta Crystallogr.,Sect.D, 66, 2010
5GPH
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BU of 5gph by Molmil
Solution structure of the Pin1-PPIase (S138A) mutant
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Tochio, N, Wang, J, Tate, S.
登録日2016-08-02
公開日2017-08-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the Pin1-PPIase (S138A) mutant
To Be Published
5G6V
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BU of 5g6v by Molmil
Crystal structure of the PCTAIRE1 kinase in complex with inhibitor
分子名称: 1,2-ETHANEDIOL, 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, CYCLIN-DEPENDENT KINASE 16
著者Dixon-Clarke, S.E, Galan Bartual, S, Elkins, J, Savitsky, P, Kopec, J, Mackenzie, A, Tallant, C, Heroven, C, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2016-08-16
公開日2016-11-23
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16.
Biochem.J., 474, 2017
3L72
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Chicken cytochrome BC1 complex with kresoxim-I-dimethyl bound
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, CYTOCHROME B, ...
著者Huang, L, Zhang, Z, Berry, E.A.
登録日2009-12-27
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Famoxadone and related inhibitors bind like methoxy acrylate inhibitors in the Qo site of the BC1 compl and fix the rieske iron-sulfur protein in a positio close to but distinct from that seen with stigmatellin and other "DISTAL" Qo inhibitors.
To be Published
3L9M
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Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18
分子名称: (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Huang, X.
登録日2010-01-05
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
5GAJ
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BU of 5gaj by Molmil
Solution NMR structure of De novo designed PLOOP2X3_50 fold protein, Northeast Structural Genomics Consortium (NESG) target OR258
分子名称: DE NOVO DESIGNED PROTEIN OR258
著者Liu, G, Castelllanos, J, Koga, R, Koga, N, Xiao, R, Pederson, K, Janjua, H, Kohan, E, Acton, T.B, Kornhaber, G, Everett, J, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2015-12-01
公開日2016-01-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structure De novo designed PLOOP2X3_50 fold protein, Northeast Structural Genomics Consortium (NESG) target OR258
To Be Published
5GIW
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Solution NMR structure of Humanin containing a D-isomerized serine residue
分子名称: Humanin
著者Furuita, K, Sugiki, T, Alsanousi, N, Fujiwara, T, Kojima, C.
登録日2016-06-25
公開日2016-07-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution NMR structure and inhibitory effect against amyloid-beta fibrillation of Humanin containing a d-isomerized serine residue
Biochem.Biophys.Res.Commun., 477, 2016

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