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4KC3
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BU of 4kc3 by Molmil
Cytokine/receptor binary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor-like 1, Interleukin-33
著者Liu, X, Wang, X.Q.
登録日2013-04-24
公開日2013-08-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.2702 Å)
主引用文献Structural insights into the interaction of IL-33 with its receptors.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SIE
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BU of 3sie by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase
著者Chen, T.T, Chen, T, Xu, Y.C.
登録日2011-06-17
公開日2011-08-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
4I5S
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BU of 4i5s by Molmil
Structure and function of sensor histidine kinase
分子名称: Putative histidine kinase CovS; VicK-like protein
著者Cai, Y.
登録日2012-11-28
公開日2013-03-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Mechanistic insights revealed by the crystal structure of a histidine kinase with signal transducer and sensor domains
Plos Biol., 11, 2013
2HH4
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BU of 2hh4 by Molmil
NMR structure of human insulin mutant GLY-B8-D-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures
分子名称: insulin A chain, insulin B chain
著者Hua, Q.X, Nakagawa, S, Hu, S.Q, Jia, W, Weiss, M.A.
登録日2006-06-27
公開日2006-07-18
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Toward the Active Conformation of Insulin: Stereospecific modulation of a structural switch in the B chain.
J.Biol.Chem., 281, 2006
2HHO
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BU of 2hho by Molmil
NMR structure of human insulin mutant GLY-B8-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures
分子名称: Insulin A chain, Insulin B chain
著者Hua, Q.X, Nakagawa, S, Hu, S.Q, Jia, W, Weiss, M.A.
登録日2006-06-28
公開日2006-07-18
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献Toward the Active Conformation of Insulin: Stereospecific modulation of a structural switch in the B chain.
J.Biol.Chem., 281, 2006
8ILE
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BU of 8ile by Molmil
The crystal structure of dGTPalphaSe-Rp:DNApre-II:Pol X substrate ternary complex
分子名称: DNA (5'-D(*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), MANGANESE (II) ION, Repair DNA polymerase X, ...
著者Qin, T, Gan, J.H, Huang, Z.
登録日2023-03-03
公開日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
8ILG
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BU of 8ilg by Molmil
The crystal structure of dG-DNA:Pol X product binary complex
分子名称: DNA (5'-D(*CP*GP*GP*AP*TP*CP*CP*G)-3'), FORMIC ACID, MANGANESE (II) ION, ...
著者Qin, T, Gan, J.H, Huang, Z.
登録日2023-03-03
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.805 Å)
主引用文献Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
6MDZ
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BU of 6mdz by Molmil
Human Argonaute2-miR-122 bound to a target RNA with two central mismatches (bu2)
分子名称: PHENOL, Protein argonaute-2, RNA (5'-R(P*AP*AP*AP*CP*AP*CP*CP*AP*UP*UP*UP*CP*CP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)-3'), ...
著者Sheu-Gruttadauria, J, MacRae, I.J.
登録日2018-09-05
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural Basis for Target-Directed MicroRNA Degradation.
Mol.Cell, 75, 2019
2JK7
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BU of 2jk7 by Molmil
XIAP BIR3 bound to a Smac Mimetic
分子名称: (3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-A]AZOCINE-3-CARBOXAMIDE, BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, ZINC ION
著者Saito, N.G, Meagher, J.L, Stuckey, J.A.
登録日2008-08-21
公開日2008-11-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structure-Based Design, Synthesis, Evaluation, and Crystallographic Studies of Conformationally Constrained Smac Mimetics as Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (Xiap).
J.Med.Chem., 51, 2008
8ILF
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BU of 8ilf by Molmil
The crystal structure of dGTPalphaSe-Sp:DNApre-II:Pol X substrate ternary complex
分子名称: DNA (5'-D(*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), MANGANESE (II) ION, Repair DNA polymerase X, ...
著者Qin, T, Zhao, Q.W, Gan, J.H, Huang, Z.
登録日2023-03-03
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
7E57
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BU of 7e57 by Molmil
Crystal structure of murine GITR-GITRL complex
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, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18, ...
著者Zhao, M, Tan, S, Fu, L, Chai, Y, Qi, J, Gao, G.F.
登録日2021-02-18
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.302 Å)
主引用文献Atypical TNF-TNFR superfamily binding interface in the GITR-GITRL complex for T cell activation.
Cell Rep, 36, 2021
6MFR
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BU of 6mfr by Molmil
Human Argonaute2-miR-122 bound to a target RNA with three central mismatches (bu3)
分子名称: PHENOL, PHOSPHATE ION, Protein argonaute-2, ...
著者Sheu-Gruttadauria, J, MacRae, I.J.
登録日2018-09-12
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural Basis for Target-Directed MicroRNA Degradation.
Mol.Cell, 75, 2019
6MFN
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BU of 6mfn by Molmil
Human Argonaute2-miR-27a bound to HSUR1 target RNA
分子名称: PHENOL, Protein argonaute-2, RNA (5'-R(P*UP*CP*UP*GP*UP*GP*AP*UP*AP*A)-3'), ...
著者Sheu-Gruttadauria, J, MacRae, I.J.
登録日2018-09-11
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Target-Directed MicroRNA Degradation.
Mol.Cell, 75, 2019
8CZH
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BU of 8czh by Molmil
Human BAK in complex with the dM2 peptide
分子名称: Bcl-2 homologous antagonist/killer, DM2 peptide
著者Aguilar, F, Keating, A.E.
登録日2022-05-24
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
8CZF
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BU of 8czf by Molmil
Human BAK in complex with the dF2 peptide
分子名称: Bcl-2 homologous antagonist/killer, DF2 peptide
著者Aguilar, F, Keating, A.E.
登録日2022-05-24
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
8CZG
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BU of 8czg by Molmil
Human BAK in complex with the dF3 peptide
分子名称: Bcl-2 homologous antagonist/killer, dF3 peptide
著者Aguilar, F, Keating, A.E.
登録日2022-05-24
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
6NIT
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BU of 6nit by Molmil
Human Argonaute2-miR-122 bound to a target RNA with four central mismatches (bu4)
分子名称: Protein argonaute-2, RNA (5'-R(P*AP*AP*CP*AP*CP*CP*AP*UP*CP*CP*AP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)-3'), RNA (5'-R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP*UP*U)-3')
著者Sheu-Gruttadauria, J, MacRae, I.J.
登録日2018-12-31
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural Basis for Target-Directed MicroRNA Degradation.
Mol.Cell, 75, 2019
8DVN
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BU of 8dvn by Molmil
Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N.
登録日2022-07-29
公開日2023-03-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
8DVL
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BU of 8dvl by Molmil
Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.18
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N.
登録日2022-07-29
公開日2023-03-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
8DVM
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BU of 8dvm by Molmil
Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.6
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N.
登録日2022-07-29
公開日2023-03-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
2XAB
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BU of 2xab by Molmil
Structure of HSP90 with an inhibitor bound
分子名称: 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA,
著者Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, m, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, O'Brian, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A.
登録日2010-03-30
公開日2010-08-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
6VKL
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BU of 6vkl by Molmil
Negative stain reconstruction of the yeast exocyst octameric complex.
分子名称: Exocyst complex component EXO70, Exocyst complex component EXO84, Exocyst complex component SEC10, ...
著者Frost, A, Munson, M.
登録日2020-01-21
公開日2020-07-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (15 Å)
主引用文献Exocyst structural changes associated with activation of tethering downstream of Rho/Cdc42 GTPases.
J. Cell Biol., 219, 2020
2XJJ
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BU of 2xjj by Molmil
Structure of HSP90 with small molecule inhibitor bound
分子名称: 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE, GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A.
登録日2010-07-06
公開日2010-08-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
3QQU
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BU of 3qqu by Molmil
Cocrystal structure of unphosphorylated igf with pyrimidine 8
分子名称: Insulin-like growth factor 1 receptor, N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine
著者Huang, X.
登録日2011-02-16
公開日2011-04-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4RIK
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BU of 4rik by Molmil
Amyloid forming segment, AVVTGVTAV, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 69-77
分子名称: Alpha-synuclein
著者Guenther, E.L, Sawaya, M.R, Ivanova, M, Eisenberg, D.S.
登録日2014-10-06
公開日2015-08-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015

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