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7CL7
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BU of 7cl7 by Molmil
Substrate-free structure of CYP154C2 from Streptomyces avermitilis in an open conformation
分子名称: Cytochrome P450 hydroxylase, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE
著者Xu, L.H, Fushinobu, S.
登録日2020-07-20
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Substrate-free structure of CYP154C2 in an open conformation
To Be Published
3KQ0
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BU of 3kq0 by Molmil
Crystal structure of human alpha1-acid glycoprotein
分子名称: (2R)-2,3-dihydroxypropyl acetate, Alpha-1-acid glycoprotein 1, CHLORIDE ION
著者Schiefner, A, Schonfeld, D.L, Ravelli, R.B.G, Mueller, U, Skerra, A.
登録日2009-11-17
公開日2010-02-02
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The 1.8-A crystal structure of alpha1-acid glycoprotein (Orosomucoid) solved by UV RIP reveals the broad drug-binding activity of this human plasma lipocalin.
J.Mol.Biol., 384, 2008
7CK4
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BU of 7ck4 by Molmil
Structural and functional analysis of small heat shock protein from Synechococcus phage S-ShM2
分子名称: Heat shock protein
著者Biswas, S, Suguna, K.
登録日2020-07-15
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (7 Å)
主引用文献Multiple nanocages of a cyanophage small heat shock protein with icosahedral and octahedral symmetries.
Sci Rep, 11, 2021
7CL9
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Androstenedione-bound structure of CYP154C2 from Streptomyces avermitilis in an open conformation
分子名称: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 hydroxylase, DI(HYDROXYETHYL)ETHER, ...
著者Xu, L.H, Fushinobu, S.
登録日2020-07-20
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Androstenedione-bound structure of CYP154C2 from Streptomyces avermitilis in an open conformation
To Be Published
7CL8
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BU of 7cl8 by Molmil
Testosterone-bound structure of CYP154C2 from Streptomyces avermitilis in an closed conformation
分子名称: Cytochrome P450 hydroxylase, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Xu, L.H, Fushinobu, S.
登録日2020-07-20
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Improved 2 alpha-Hydroxylation Efficiency of Steroids by CYP154C2 Using Structure-Guided Rational Design.
Appl.Environ.Microbiol., 89, 2023
7CMB
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BU of 7cmb by Molmil
Crystal Structure of PAK4 in complex with inhibitor 41
分子名称: 1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide, Serine/threonine-protein kinase PAK 4
著者Zhao, F, Li, H.
登録日2020-07-26
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors
to be published
7CP3
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BU of 7cp3 by Molmil
Crystal Structure of PAK4 in complex with inhibitor 47
分子名称: Serine/threonine-protein kinase PAK 4, [(3R)-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone
著者Zhao, F, Li, H.
登録日2020-08-05
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors
to be published
2LIT
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BU of 2lit by Molmil
NMR Solution Structure of Yeast Iso-1-cytochrome c Mutant P71H in reduced states
分子名称: Cytochrome c iso-1, HEME C
著者Lan, W, Wang, Z, Yang, Z, Zhu, J, Ying, T, Jiang, X, Zhang, X, Wu, H, Liu, M, Tan, X, Cao, C, Huang, Z.X.
登録日2011-08-31
公開日2011-12-07
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Conformational toggling of yeast iso-1-cytochrome C in the oxidized and reduced States.
Plos One, 6, 2011
3KXG
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BU of 3kxg by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64)
分子名称: 3,4,5,6,7-pentabromo-1H-indazole, Casein kinase II subunit alpha
著者Papinutto, E, Franchin, C, Battistutta, R.
登録日2009-12-03
公開日2010-11-17
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
7CP4
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BU of 7cp4 by Molmil
Crystal Structure of PAK4 in complex with inhibitor 55
分子名称: Serine/threonine-protein kinase PAK 4, [1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
著者Zhao, F, Li, H.
登録日2020-08-06
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors
to be published
7CQO
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BU of 7cqo by Molmil
Lysozyme grown in LCP soaked with selenourea for 6 min
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Luo, Z.P, Li, D.F.
登録日2020-08-11
公開日2021-08-11
最終更新日2022-08-31
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Selenourea for experimental phasing of membrane protein crystals grown in lipid cubic phase
Crystals, 12, 2022
3L1G
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BU of 3l1g by Molmil
Human AlphaB crystallin
分子名称: Alpha-crystallin B chain, SULFATE ION
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2009-12-11
公開日2010-05-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function.
Protein Sci., 19, 2010
2LNX
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BU of 2lnx by Molmil
Solution structure of Vav2 SH2 domain
分子名称: Guanine nucleotide exchange factor VAV2
著者Wu, B, Zhang, J, Wu, J, Shi, Y.
登録日2012-01-05
公開日2012-11-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Identification and structural basis for a novel interaction between Vav2 and Arap3.
J.Struct.Biol., 180, 2012
3L30
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BU of 3l30 by Molmil
Crystal structure of porcine pancreatic phospholipase A2 complexed with dihydroxyberberine
分子名称: 4,14-dihydro-8H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-9,10-diol, CALCIUM ION, CHLORIDE ION, ...
著者Naveen, C, Prasanth, G.K, Abhilash, J, Pradeep, M, Ponnuraj, K, Sadasivan, C, Haridas, M.
登録日2009-12-16
公開日2010-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of porcine pancreatic phospholipase A2 complexed with dihydroxyberberine
To be Published
2LBV
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BU of 2lbv by Molmil
Siderocalin Q83 reveals a dual ligand binding mode
分子名称: ARACHIDONIC ACID, Extracellular fatty acid-binding protein, GALLIUM (III) ION, ...
著者Coudevylle, N, Hoetzinger, M, Geist, L, Kontaxis, G, Bister, K, Konrat, R.
登録日2011-04-07
公開日2012-02-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Lipocalin Q83 reveals a dual ligand binding mode with potential implications for the functions of siderocalins
Biochemistry, 50, 2011
3L58
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BU of 3l58 by Molmil
Structure of BACE Bound to SCH589432
分子名称: Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3KIV
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BU of 3kiv by Molmil
RECOMBINANT KRINGLE IV-10/M66 VARIANT OF HUMAN APOLIPOPROTEIN(A)
分子名称: 6-AMINOHEXANOIC ACID, APOLIPOPROTEIN
著者Mochalkin, I, Tulinsky, A, Scanu, A.
登録日1998-09-08
公開日1999-05-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Recombinant kringle IV-10 modules of human apolipoprotein(a): structure, ligand binding modes, and biological relevance.
Biochemistry, 38, 1999
7CVR
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BU of 7cvr by Molmil
Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine
分子名称: (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
著者Stanfield, J.K, Sugimoto, H, Shoji, O.
登録日2020-08-26
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine at 1.60 Angstrom Resolution
To Be Published
2L7Z
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BU of 2l7z by Molmil
NMR Structure of A13 homedomain
分子名称: Homeobox protein Hox-A13
著者Ames, J.
登録日2010-12-27
公開日2011-11-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for sequence specific DNA binding and protein dimerization of HOXA13.
Plos One, 6, 2011
3L8S
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BU of 3l8s by Molmil
Human p38 MAP Kinase in Complex with CP-547632
分子名称: 3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2010-01-03
公開日2010-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
J.Am.Chem.Soc., 132, 2010
2LMT
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BU of 2lmt by Molmil
NMR structure of Androcam
分子名称: CALCIUM ION, Calmodulin-related protein 97A
著者Joshi, M.K, Moran, S.T, Beckingham, K.M, Mackenzie, K.R.
登録日2011-12-12
公開日2012-08-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of androcam supports specialized interactions with myosin VI.
Proc.Natl.Acad.Sci.USA, 109, 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
2LCW
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solution structure of FUS/TLS RRM domain
分子名称: RNA-binding protein FUS
著者Liu, X, Ren, J, Niu, C, Gong, W, Feng, W.
登録日2011-05-10
公開日2012-06-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献TLS-RRM is a promiscuous nucleic acid binding domain
To be Published
2LAV
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BU of 2lav by Molmil
NMR solution structure of human Vaccinia-Related Kinase 1
分子名称: Vaccinia-related kinase 1
著者Shin, J, Yoon, H.S.
登録日2011-03-21
公開日2011-05-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR Solution Structure of Human Vaccinia-related Kinase 1 (VRK1) Reveals the C-terminal Tail Essential for Its Structural Stability and Autocatalytic Activity.
J.Biol.Chem., 286, 2011
7CX6
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Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-(+)-1-Phenylethylamine
分子名称: (1R)-1-phenylethanamine, (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
著者Stanfield, J.K, Sugimoto, H, Shoji, O.
登録日2020-09-01
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-(+)-1-Phenylethylamine at 1.69 Angstrom Resolution
To Be Published

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