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4EN2
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BU of 4en2 by Molmil
HIV-1 Nef in complex with MHC-I cytoplasmic domain and Mu1 adaptin subunit of AP1 adaptor (second domain)
分子名称: AP-1 complex subunit mu-1, MHC-I, Protein Nef
著者Jia, X, Xiong, Y.
登録日2012-04-12
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structural basis of evasion of cellular adaptive immunity by HIV-1 Nef.
Nat.Struct.Mol.Biol., 19, 2012
5HH5
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BU of 5hh5 by Molmil
Crystal structure of B3 metallo-beta-lactamase L1 complexed with a phosphonate-based inhibitor
分子名称: 6-(phosphonomethyl)pyridine-2-carboxylic acid, GLYCEROL, Metallo-beta-lactamase L1, ...
著者Hinchliffe, P, Spencer, J.
登録日2016-01-09
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
4EMZ
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BU of 4emz by Molmil
HIV-1 Nef in complex with MHC-I cytoplasmic domain and Mu1 adaptin subunit of AP1 adaptor (second domain)
分子名称: AP-1 complex subunit mu-1, MHC-I, Protein Nef
著者Jia, X, Xiong, Y.
登録日2012-04-12
公開日2012-06-20
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of evasion of cellular adaptive immunity by HIV-1 Nef.
Nat.Struct.Mol.Biol., 19, 2012
6YYN
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BU of 6yyn by Molmil
Structure of Cathepsin S in complex with Compound 14
分子名称: CITRATE ANION, Cathepsin S, SULFATE ION, ...
著者Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
6YYO
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Structure of Cathepsin S in complex with Compound 1
分子名称: 1,2-ETHANEDIOL, 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, CITRATE ANION, ...
著者Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
6YYP
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Structure of Cathepsin S in complex with Compound 2
分子名称: 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine, ACETATE ION, Cathepsin S, ...
著者Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
6YYQ
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Structure of Cathepsin S in complex with Compound 3
分子名称: (6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine, Cathepsin S
著者Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
6YYR
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Structure of Cathepsin S in complex with Compound 20b
分子名称: (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide, 1,2-ETHANEDIOL, CITRATE ANION, ...
著者Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
4ZPL
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BU of 4zpl by Molmil
Crystal Structure of Protocadherin Beta 1 EC1-3
分子名称: CALCIUM ION, Protein Pcdhb1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Goodman, K.M, Bahna, F, Shapiro, L.
登録日2015-05-08
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions.
Cell, 163, 2015
4ZPN
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Crystal Structure of Protocadherin Gamma C5 EC1-3 with extended N-terminus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MCG133388, ...
著者Goodman, K.M, Wolcott, H.N, Bahna, F, Shapiro, L.
登録日2015-05-08
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions.
Cell, 163, 2015
1GFZ
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BU of 1gfz by Molmil
FLAVOPIRIDOL INHIBITS GLYCOGEN PHOSPHORYLASE BY BINDING AT THE INHIBITOR SITE
分子名称: CAFFEINE, GLYCOGEN PHOSPHORYLASE, INOSINIC ACID, ...
著者Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N.
登録日2000-06-29
公開日2000-07-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site.
J.Biol.Chem., 275, 2000
1FUJ
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BU of 1fuj by Molmil
PR3 (MYELOBLASTIN)
分子名称: PR3, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Fujinaga, M, Chernaia, M.M, Halenbeck, R, Koths, K, James, M.N.G.
登録日1996-01-25
公開日1996-07-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of PR3, a neutrophil serine proteinase antigen of Wegener's granulomatosis antibodies.
J.Mol.Biol., 261, 1996
2L0X
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BU of 2l0x by Molmil
Solution structure of the 21 kDa GTPase RHEB bound to GDP
分子名称: GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Stoll, R, Heumann, R, Berghaus, C, Kock, G.
登録日2010-07-19
公開日2010-08-04
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Ras homolog enriched in brain (Rheb) enhances apoptotic signaling.
J.Biol.Chem., 285, 2010
8WT9
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BU of 8wt9 by Molmil
Cryo-EM structure of the IS621 recombinase in complex with bridge RNA, donor DNA, and target DNA in the post-strand exchange state (Holliday junction resolution)
分子名称: IS621 transposase, MAGNESIUM ION, bridge RNA, ...
著者Hiraizumi, M, Yamashita, K, Nishimasu, H.
登録日2023-10-18
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural mechanism of bridge RNA-guided recombination.
Nature, 630, 2024
8WT7
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BU of 8wt7 by Molmil
Cryo-EM structure of the IS621 recombinase in complex with bridge RNA, donor DNA, and target DNA in the pre-strand exchange locked state
分子名称: IS621 transposase, MAGNESIUM ION, bridge RNA, ...
著者Hiraizumi, M, Yamashita, K, Nishimasu, H.
登録日2023-10-18
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural mechanism of bridge RNA-guided recombination.
Nature, 630, 2024
8WT6
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BU of 8wt6 by Molmil
Cryo-EM structure of the IS621 recombinase in complex with bridge RNA, donor DNA, and target DNA in the pre-strand exchange state
分子名称: IS621 transposase, MAGNESIUM ION, bridge RNA, ...
著者Hiraizumi, M, Yamashita, K, Nishimasu, H.
登録日2023-10-18
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural mechanism of bridge RNA-guided recombination.
Nature, 630, 2024
8WT8
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BU of 8wt8 by Molmil
Cryo-EM structure of the IS621 recombinase in complex with bridge RNA, donor DNA, and target DNA in the post-strand exchange state (Holliday junction intermediate)
分子名称: IS621 transposase, MAGNESIUM ION, bridge RNA, ...
著者Hiraizumi, M, Yamashita, K, Nishimasu, H.
登録日2023-10-18
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural mechanism of bridge RNA-guided recombination.
Nature, 630, 2024
3HDN
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BU of 3hdn by Molmil
Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 2
分子名称: Serine/threonine-protein kinase Sgk1, [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid
著者Zhao, B, Hammond, M.
登録日2009-05-07
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3HDM
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BU of 3hdm by Molmil
Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 1
分子名称: 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Serine/threonine-protein kinase Sgk1
著者Zhao, B, Hammond, M.
登録日2009-05-07
公開日2009-06-30
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
1B9N
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BU of 1b9n by Molmil
REGULATOR FROM ESCHERICHIA COLI
分子名称: NICKEL (II) ION, PROTEIN (MODE)
著者Hall, D.R, Gourley, D.G, Hunter, W.N.
登録日1999-02-12
公開日2000-03-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The high-resolution crystal structure of the molybdate-dependent transcriptional regulator (ModE) from Escherichia coli: a novel combination of domain folds.
EMBO J., 18, 1999
1B9M
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BU of 1b9m by Molmil
REGULATOR FROM ESCHERICHIA COLI
分子名称: NICKEL (II) ION, PROTEIN (MODE)
著者Hall, D.R, Gourley, D.G, Hunter, W.N.
登録日1999-02-12
公開日2000-03-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The high-resolution crystal structure of the molybdate-dependent transcriptional regulator (ModE) from Escherichia coli: a novel combination of domain folds.
EMBO J., 18, 1999
9EZX
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BU of 9ezx by Molmil
Vibrio cholerae DdmD apo complex
分子名称: Helicase/UvrB N-terminal domain-containing protein
著者Loeff, L, Jinek, M.
登録日2024-04-14
公開日2024-06-19
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献Molecular mechanism of plasmid elimination by the DdmDE defense system.
Science, 385, 2024
3M51
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Structure of the 14-3-3/PMA2 complex stabilized by Pyrrolidone1
分子名称: 14-3-3-like protein C, 2-hydroxy-5-[(5S)-3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid, N.plumbaginifolia H+-translocating ATPase mRNA
著者Ottmann, C, Rose, R, Waldmann, H.
登録日2010-03-12
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Identification and structure of small-molecule stabilizers of 14-3-3 protein-protein interactions
Angew.Chem.Int.Ed.Engl., 49, 2010
3M50
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Structure of the 14-3-3/PMA2 complex stabilized by Epibestatin
分子名称: 14-3-3-like protein C, N-[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine, N.plumbaginifolia H+-translocating ATPase mRNA
著者Ottmann, C, Rose, R, Waldmann, H.
登録日2010-03-12
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification and structure of small-molecule stabilizers of 14-3-3 protein-protein interactions
Angew.Chem.Int.Ed.Engl., 49, 2010
4XNF
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Tailspike protein double mutant D339A/E372Q of E. coli bacteriophage HK620
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-15
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published

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