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4ATZ
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BU of 4atz by Molmil
Ad5 knob in complex with a designed ankyrin repeat protein
分子名称: DESIGNED ANKYRIN REPEAT PROTEIN, Fiber protein
著者Mittl, P.R.E, Hess, C, Dreier, B.
登録日2012-05-11
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of a generic adenovirus delivery system based on structure-guided design of bispecific trimeric DARPin adapters.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
3NW2
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BU of 3nw2 by Molmil
Novel nanomolar Imidazopyridines as selective Nitric Oxide Synthase (iNOS) inhibitors: SAR and structural insights
分子名称: 2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Graedler, U, Fuchss, T, Ulrich, W.R, Boer, R, Strub, A, Hesslinger, C, Anezo, C, Diederichs, K, Zaliani, A.
登録日2010-07-09
公開日2011-06-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel nanomolar imidazo[4,5-b]pyridines as selective nitric oxide synthase (iNOS) inhibitors: SAR and structural insights
Bioorg.Med.Chem.Lett., 21, 2011
7QC6
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BU of 7qc6 by Molmil
HisF_C9A_L50H_I52H mutant (apo) from T. maritima
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Imidazole glycerol phosphate synthase subunit HisF
著者Beaumet, M, Dose, A, Braeuer, A, Mahy, J, Ghattas, W, Groll, M, Hess, C.
登録日2021-11-22
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity.
J.Inorg.Biochem., 235, 2022
7QC7
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BU of 7qc7 by Molmil
HisF-C9A-D11E-V33A_L50H_I52H mutant (apo) from T. maritima
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Imidazole glycerol phosphate synthase subunit HisF
著者Beaumet, M, Dose, A, Braeuer, A, Mahy, J, Ghattas, W, Groll, M, Hess, C.
登録日2021-11-22
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity.
J.Inorg.Biochem., 235, 2022
7QC8
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BU of 7qc8 by Molmil
HisF-C9A-D11E-V33A_L50H_I52H mutant in complex with Zn(II) from T. maritima
分子名称: Imidazole glycerol phosphate synthase subunit HisF, SULFATE ION, ZINC ION
著者Beaumet, M, Dose, A, Braeuer, A, Mahy, J, Ghattas, W, Groll, M, Hess, C.
登録日2021-11-22
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity.
J.Inorg.Biochem., 235, 2022
7QC9
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BU of 7qc9 by Molmil
HisF-C9A-D11E-V33A_L50H_I52H mutant in complex with Ni(II) from T. maritima
分子名称: 1,2-ETHANEDIOL, Imidazole glycerol phosphate synthase subunit HisF, NICKEL (II) ION, ...
著者Beaumet, M, Dose, A, Braeuer, A, Mahy, J, Ghattas, W, Groll, M, Hess, C.
登録日2021-11-22
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity.
J.Inorg.Biochem., 235, 2022
7QC3
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BU of 7qc3 by Molmil
HisF from T. maritima
分子名称: Imidazole glycerol phosphate synthase subunit HisF
著者Beaumet, M, Dose, A, Braeuer, A, Mahy, J, Ghattas, W, Groll, M, Hess, C.
登録日2021-11-22
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An artificial metalloprotein with metal-adaptive coordination sites and Ni-dependent quercetinase activity.
J.Inorg.Biochem., 235, 2022
8U3N
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BU of 8u3n by Molmil
Structure of P450Blt from Micromonospora sp. MW-13
分子名称: Cytochrome P450-SU1, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hansen, M.H, Cryle, M.J, Zhao, Y.
登録日2023-09-08
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8UKZ
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BU of 8ukz by Molmil
Structure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation
分子名称: ACETATE ION, Cytochrome P450-SU1, DI(HYDROXYETHYL)ETHER, ...
著者Hansen, M.H, Cryle, M.J.
登録日2023-10-15
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8U2M
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BU of 8u2m by Molmil
Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Biarylitide
分子名称: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ACETATE ION, Cytochrome P450-SU1, ...
著者Hansen, M.H, Cryle, M.J.
登録日2023-09-06
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
4IN4
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BU of 4in4 by Molmil
Crystal structure of cpd 15 bound to Keap1 Kelch domain
分子名称: 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide, Kelch-like ECH-associated protein 1, PHOSPHATE ION
著者Silvian, L, Marcotte, D.
登録日2013-01-03
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Bioorg.Med.Chem., 21, 2013
4IQK
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BU of 4iqk by Molmil
Crystal structure of cpd 16 bound to Keap1 Kelch domain
分子名称: Kelch-like ECH-associated protein 1, N,N'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide)
著者Silvian, L, Marcotte, D.
登録日2013-01-11
公開日2013-05-15
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Bioorg.Med.Chem., 21, 2013
3QC4
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BU of 3qc4 by Molmil
PDK1 in complex with DFG-OUT inhibitor xxx
分子名称: 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1
著者Arndt, J.W.
登録日2011-01-15
公開日2011-04-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery.
Bioorg.Med.Chem.Lett., 21, 2011
3PWY
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BU of 3pwy by Molmil
Crystal structure of an extender (SPD28345)-modified human PDK1 complex 2
分子名称: 3-phosphoinositide-dependent protein kinase 1, N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide
著者Elling, R.A, Penny, D.M, Simmons, R.L, Erlanson, D.A, Romanowski, M.J.
登録日2010-12-09
公開日2011-04-20
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery.
Bioorg.Med.Chem.Lett., 21, 2011
1BBC
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BU of 1bbc by Molmil
STRUCTURE OF RECOMBINANT HUMAN RHEUMATOID ARTHRITIC SYNOVIAL FLUID PHOSPHOLIPASE A2 AT 2.2 ANGSTROMS RESOLUTION
分子名称: PHOSPHOLIPASE A2
著者Wery, J.-P, Schevitz, R.W, Clawson, D.K, Bobbitt, J.L, Dow, E.R, Gamboa, G, Goodsonjunior, T, Hermann, R.B, Kramer, R.M, Mcclure, D.B, Mihelich, E.D, Putnam, J.E, Sharp, J.D, Stark, D.H, Teater, C, Warrick, M.W, Jones, N.D.
登録日1992-05-04
公開日1993-10-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of recombinant human rheumatoid arthritic synovial fluid phospholipase A2 at 2.2 A resolution.
Nature, 352, 1991

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