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6K8P
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Structural and catalytic analysis of two diverse uridine phosphorylases in the oomycete Phytophthora capsici.
分子名称: 1-O-phosphono-alpha-D-ribofuranose, PHOSPHATE ION, THYMIDINE, ...
著者Yang, C.C, Zhang, X.G.
登録日2019-06-13
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.965 Å)
主引用文献Structural and catalytic analysis of two diverse uridine phosphorylases in Phytophthora capsici.
Sci Rep, 10, 2020
1OBW
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STRUCTURE OF INORGANIC PYROPHOSPHATASE
分子名称: INORGANIC PYROPHOSPHATASE, MAGNESIUM ION
著者Oganessyan, V.Yu, Harutyunyan, E.H, Avaeva, S.M, Oganessyan, N.N, Mather, T, Huber, R.
登録日1996-10-09
公開日1997-09-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of holo inorganic pyrophosphatase from Escherichia coli at 1.9 A resolution. Mechanism of hydrolysis.
Biochemistry, 36, 1997
6KEH
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Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
分子名称: 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
著者Lee, B.I, Park, T.H.
登録日2019-07-04
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
6KEC
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Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
分子名称: 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
著者Lee, B.I, Park, T.H.
登録日2019-07-04
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
6KEJ
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Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
分子名称: 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
著者Lee, B.I, Park, T.H.
登録日2019-07-04
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
3LD3
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BU of 3ld3 by Molmil
Crystal structure of inorganic phosphatase from anaplasma phagocytophilum at 1.75a resolution
分子名称: Inorganic pyrophosphatase, PHOSPHATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID), Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-01-12
公開日2010-03-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of inorganic phosphatase from anaplasma phagocytophilum at 1.75a resolution
To be Published
2VWX
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BU of 2vwx by Molmil
ephB4 kinase domain inhibitor complex
分子名称: 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide, EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G.
登録日2008-06-27
公開日2008-10-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
4P9T
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BU of 4p9t by Molmil
Structure of the free form of the N-terminal VH1 domain of monomeric alpha-catenin
分子名称: 1,2-ETHANEDIOL, Catenin alpha-2, DI(HYDROXYETHYL)ETHER, ...
著者Shibahara, T, Hirano, Y, Hakoshima, T.
登録日2014-04-04
公開日2015-04-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the free form of the N-terminal VH1 domain of monomeric alpha-catenin.
Febs Lett., 589, 2015
4ZS9
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BU of 4zs9 by Molmil
Raffinose and panose binding protein from Bifidobacterium animalis subsp. lactis Bl-04, bound with raffinose
分子名称: CHLORIDE ION, MAGNESIUM ION, Sugar binding protein of ABC transporter system, ...
著者Fredslund, F, Ejby, M, Andersen, J.M, Slotboom, D.J, Abou Hachem, M.
登録日2015-05-13
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献An ATP Binding Cassette Transporter Mediates the Uptake of alpha-(1,6)-Linked Dietary Oligosaccharides in Bifidobacterium and Correlates with Competitive Growth on These Substrates.
J. Biol. Chem., 291, 2016
7GBA
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BU of 7gba by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ANT-OPE-d972fbad-1 (Mpro-x10296)
分子名称: 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
5XOS
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BU of 5xos by Molmil
Crystal structure of HLA-B35 in complex with a pepetide antigen
分子名称: An HIV reverse transcriptase epitope, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Shi, Y, Qi, J, Gao, G.F.
登録日2017-05-31
公開日2017-06-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Conserved V delta 1 Binding Geometry in a Setting of Locus-Disparate pHLA Recognition by delta / alpha beta T Cell Receptors (TCRs): Insight into Recognition of HIV Peptides by TCRs.
J. Virol., 91, 2017
1ZAR
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BU of 1zar by Molmil
Crystal Structure of A.fulgidus Rio2 Kinase Complexed With ADP and Manganese Ions
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
著者Laronde-Leblanc, N, Guszczynski, T, Copeland, T, Wlodawer, A.
登録日2005-04-06
公開日2005-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Autophosphorylation of Archaeoglobus fulgidus Rio2 and crystal structures of its nucleotide-metal ion complexes.
Febs J., 272, 2005
2VWZ
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BU of 2vwz by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G.
登録日2008-06-30
公開日2008-10-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
2VX1
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BU of 2vx1 by Molmil
ephB4 kinase domain inhibitor complex
分子名称: 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE, EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G.
登録日2008-06-30
公開日2008-10-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
3JRR
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BU of 3jrr by Molmil
Crystal structure of the ligand binding suppressor domain of type 3 inositol 1,4,5-trisphosphate receptor
分子名称: Inositol 1,4,5-trisphosphate receptor type 3
著者Chan, J, Ishiyama, N, Ikura, M.
登録日2009-09-08
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A 1.9 angstrom crystal structure of the suppressor domain of type 3 inositol 1,4,5-trisphosphate receptor
To be Published
6IYG
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BU of 6iyg by Molmil
The Structure of Maltooligosaccharide-forming Amylase from Pseudomonas saccharophila STB07 with Maltotetraose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Glucan 1,4-alpha-maltotetraohydrolase, ...
著者Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
登録日2018-12-15
公開日2019-12-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Maltotetraose-forming amylase from Pseudomonas saccharophila STB07
To Be Published
4CD3
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BU of 4cd3 by Molmil
RnNTPDase2 X4 variant in complex with PSB-071
分子名称: 1-AMINO-4-(3-METHYLPHENYL)AMINO-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2, GLYCEROL
著者Zebisch, M, Schaefer, P, Straeter, N.
登録日2013-10-29
公開日2014-02-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal Structure of Ntpdase2 in Complex with the Sulfoanthraquinone Inhibitor Psb-071.
J.Struct.Biol., 185, 2014
4PP5
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Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 5-methyl UAB30 and the coactivator peptide GRIP-1
分子名称: (2E,4E,6Z,8E)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Xia, G, Smith, C.D, Muccio, D.D.
登録日2014-02-26
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
2OIY
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BU of 2oiy by Molmil
Crystal structure of the duplex form of the HIV-1(LAI) RNA dimerization initiation site
分子名称: 5'-R(*CP*UP*UP*GP*CP*UP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP*GP*CP*AP*AP*G)-3', MAGNESIUM ION, POTASSIUM ION
著者Ennifar, E, Walter, P, Dumas, P.
登録日2007-01-12
公開日2007-12-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Cation-dependent cleavage of the duplex form of the subtype-B HIV-1 RNA dimerization initiation site.
Nucleic Acids Res., 38, 2010
1LQO
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BU of 1lqo by Molmil
Crystal Strutcure of the Fosfomycin Resistance Protein A (FosA) Containing Bound Thallium Cations
分子名称: MANGANESE (II) ION, PHOSPHATE ION, PROBABLE Fosfomycin Resistance Protein, ...
著者Rife, C.L, Pharris, R.E, Newcomer, M.E, Armstrong, R.N.
登録日2002-05-11
公開日2002-09-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a genomically encoded fosfomycin resistance protein (FosA) at 1.19 A resolution by MAD phasing off the L-III edge of Tl(+)
J.Am.Chem.Soc., 124, 2002
3S4C
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BU of 3s4c by Molmil
Lactose phosphorylase in complex with sulfate
分子名称: 1,4-DIETHYLENE DIOXIDE, Lactose Phosphorylase, SULFATE ION
著者Van Hoorebeke, A, Stout, J, Soetaert, W, Van Beeumen, J, Desmet, T, Savvides, S.
登録日2011-05-19
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cellobiose phosphorylase: reconstructing the structural itinerary along the catalytic pathway
To be Published
4Z4Y
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BU of 4z4y by Molmil
Crystal structure of GII.10 P domain in complex with 7.5mM B antigen (trisaccharide)
分子名称: 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
著者Leuthold, M.M, Koromyslova, A.D, Hansman, G.S.
登録日2015-04-02
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
4C1E
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BU of 4c1e by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2 with D-captopril
分子名称: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-08-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
1P7P
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Methionyl-tRNA synthetase from Escherichia coli complexed with methionine phosphonate
分子名称: (1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHONIC ACID, Methionyl-tRNA synthetase, ZINC ION
著者Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S.
登録日2003-05-05
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Use of analogues of methionine and methionyl adenylate to sample conformational changes during catalysis in Escherichia coli methionyl-tRNA synthetase.
J.Mol.Biol., 332, 2003
1LCX
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NMR structure of HIV-1 gp41 659-671 13mer peptide
分子名称: GP41
著者Biron, Z, Khare, S, Samson, A.O, Hayek, Y, Naider, F, Anglister, J.
登録日2002-04-07
公開日2002-12-04
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A Monomeric 3(10)-Helix Is Formed in Water by a 13-Residue Peptide Representing the Neutralizing Determinant of HIV-1 on gp41.
Biochemistry, 41, 2002

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