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5MZV
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BU of 5mzv by Molmil
IL-23:IL-23R:Nb22E11 complex
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, CHLORIDE ION, ...
著者Bloch, Y, Savvides, S.N.
登録日2017-02-01
公開日2018-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1.
Immunity, 48, 2018
5N2K
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BU of 5n2k by Molmil
Structure of unbound Briakinumab FAb
分子名称: 1,2-ETHANEDIOL, Briakinumab FAb heavy chain, Briakinumab FAb light chain
著者Bloch, Y, Savvides, S.N.
登録日2017-02-07
公開日2018-01-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.219 Å)
主引用文献Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1.
Immunity, 48, 2018
5NJD
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BU of 5njd by Molmil
Structure of Interleukin 23 in complex with Briakinumab FAb
分子名称: Briakinumab FAb Heavy chain, Briakinumab FAb Light chain, Interleukin-12 subunit beta, ...
著者Bloch, Y, Savvides, S.N.
登録日2017-03-28
公開日2018-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1.
Immunity, 48, 2018
7Q60
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BU of 7q60 by Molmil
Structure of TEV cleaved A2ML1 (A2ML1-TE)
分子名称: Alpha-2-macroglobulin-like protein 1
著者Nielsen, N.S, Zarantonello, A, Andersen, G.R.
登録日2021-11-05
公開日2022-04-20
最終更新日2022-11-02
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family.
Nat Commun, 13, 2022
7Q62
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Structure of TEV cleaved A2ML1 dimer (A2ML1-TT dimer)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin-like protein 1
著者Nielsen, N.S, Zarantonello, A, Andersen, G.R.
登録日2021-11-05
公開日2022-04-20
最終更新日2022-11-02
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family.
Nat Commun, 13, 2022
7Q61
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Structure of TEV conjugated A2ML1 (A2ML1-TC)
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, Alpha-2-macroglobulin-like protein 1
著者Nielsen, N.S, Zarantonello, A, Andersen, G.R.
登録日2021-11-05
公開日2022-04-20
最終更新日2022-11-02
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family.
Nat Commun, 13, 2022
7Q5Z
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BU of 7q5z by Molmil
Cryo-EM structure of native human A2ML1
分子名称: Alpha-2-macroglobulin-like protein 1
著者Zarantonello, A, Nielsen, N.S, Andersen, G.R.
登録日2021-11-05
公開日2022-04-20
最終更新日2022-11-02
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family.
Nat Commun, 13, 2022
6X58
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BU of 6x58 by Molmil
MPER-Fluc-Ec2 bound to 10E8v4 antibody
分子名称: 10E8v4 Fab Heavy Chain, 10E8v4 Fab Light Chain, gp41 MPER peptide,Putative fluoride ion transporter CrcB
著者McIlwain, B.C, Stockbridge, R.B.
登録日2020-05-25
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.26 Å)
主引用文献N-terminal Transmembrane-Helix Epitope Tag for X-ray Crystallography and Electron Microscopy of Small Membrane Proteins.
J.Mol.Biol., 433, 2021
8ACL
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BU of 8acl by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14
分子名称: (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5
著者Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P.
登録日2022-07-05
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
8ACD
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BU of 8acd by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S
分子名称: (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5
著者Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P.
登録日2022-07-05
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
5UEM
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BU of 5uem by Molmil
Crystal structure of 354NC37 Fab in complex with HIV-1 clade AE strain 93TH057 gp120
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, 354NC37 Fab Heavy Chain, ...
著者Sievers, S.A, Gristick, H.B, Bjorkman, P.J.
登録日2017-01-02
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Coexistence of potent HIV-1 broadly neutralizing antibodies and antibody-sensitive viruses in a viremic controller.
Sci Transl Med, 9, 2017
8AUR
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BU of 8aur by Molmil
Cryo-EM structure of a TasA fibre
分子名称: Major biofilm matrix component
著者Boehning, J, Bharat, T.A.M.
登録日2022-08-25
公開日2022-11-30
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Donor-strand exchange drives assembly of the TasA scaffold in Bacillus subtilis biofilms.
Nat Commun, 13, 2022
8V31
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BU of 8v31 by Molmil
Structure of Alistipes sp. 3-Keto-2-hydroxy-glucal-hydratase AL2
分子名称: Glycosyl hydrolase, MAGNESIUM ION
著者Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
登録日2023-11-25
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献An alternative broad-specificity pathway for glycan breakdown in bacteria
To Be Published
5W5V
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BU of 5w5v by Molmil
TBK1 co-crystal structure with amlexanox
分子名称: 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1
著者Beyett, T.S, Tesmer, J.J.G.
登録日2017-06-15
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.645 Å)
主引用文献Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition.
Mol. Pharmacol., 94, 2018
1AJM
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BU of 1ajm by Molmil
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE R126E MUTANT
分子名称: THYMIDYLATE SYNTHASE
著者Strop, P, Montfort, W.R.
登録日1997-05-06
公開日1997-11-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of a marginally active thymidylate synthase mutant, Arg 126-->Glu.
Protein Sci., 6, 1997
8B56
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BU of 8b56 by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9
分子名称: (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5, BROMIDE ION, ...
著者Straeter, N, Muller, C.E, Claff, T, Sylvester, K, Weisse, R, Gao, S, Song, L, Liu, X, Zhan, P.
登録日2022-09-21
公開日2023-08-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.823 Å)
主引用文献Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors.
J.Med.Chem., 65, 2022
5TXF
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BU of 5txf by Molmil
Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in a closed conformation
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, Phosphatidylcholine-sterol acyltransferase, ...
著者Manthei, K.A, Glukhova, A, Tesmer, J.J.G.
登録日2016-11-16
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A retractable lid in lecithin:cholesterol acyltransferase provides a structural mechanism for activation by apolipoprotein A-I.
J. Biol. Chem., 292, 2017
4Y8D
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BU of 4y8d by Molmil
Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor
分子名称: 1,2-ETHANEDIOL, 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline, Cyclin-G-associated kinase, ...
著者Chaikuad, A, Heroven, C, Nowak, R, De Jonghe, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-02-16
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents.
J.Med.Chem., 58, 2015
6K0J
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BU of 6k0j by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor
分子名称: 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Tiantian, W, Xiao, J.
登録日2019-05-06
公開日2019-11-20
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献Inhibition of dual-specificity tyrosine phosphorylation-regulated kinase 2 perturbs 26S proteasome-addicted neoplastic progression.
Proc.Natl.Acad.Sci.USA, 116, 2019
6FDD
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BU of 6fdd by Molmil
Crystal Structure of the HHD2 Domain of Whirlin
分子名称: SULFATE ION, Whirlin
著者Delhommel, F, Cordier, F, Saul, F, Haouz, A, Wolff, N.
登録日2017-12-22
公開日2018-08-08
最終更新日2018-10-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural plasticity of the HHD2 domain of whirlin.
FEBS J., 285, 2018
6FIR
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BU of 6fir by Molmil
Human cytosolic 5'-nucleotidase II soaked with 5mM3-Phenyl-N-(9H-purin-6-yl)benzamide
分子名称: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION, ...
著者Aghajari, N, Preeti, P.
登録日2018-01-19
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Lead optimization and biological evaluation of fragment-based cN-II inhibitors.
Eur J Med Chem, 168, 2019
3U9Q
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BU of 3u9q by Molmil
Ligand binding domain of PPARgamma complexed with Decanoic Acid and PGC-1a peptide
分子名称: DECANOIC ACID, PGC-1a peptide, Peroxisome proliferator-activated receptor gamma
著者Malapaka, V.R, Xu, H.E.
登録日2011-10-19
公開日2011-11-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.522 Å)
主引用文献Identification and Mechanism of 10-Carbon Fatty Acid as Modulating Ligand of Peroxisome Proliferator-activated Receptors.
J.Biol.Chem., 287, 2012
6FXH
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BU of 6fxh by Molmil
Human cytosolic 5'-nucleotidase II soaked with 10mM 3-Phenyl-N-(9H-purin-6-yl)benzamide
分子名称: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION, ...
著者Aghajari, N, Preeti, P.
登録日2018-03-09
公開日2019-03-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Lead optimization and biological evaluation of fragment-based cN-II inhibitors.
Eur J Med Chem, 168, 2019
7MTB
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BU of 7mtb by Molmil
Rhodopsin kinase (GRK1)-S5E/S488E/T489E in complex with rhodopsin and Fab6
分子名称: Fab6 heavy chain, Fab6 light chain, RETINAL, ...
著者Chen, Q, Chen, C.-L, Tesmer, J.J.G.
登録日2021-05-13
公開日2021-07-07
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Nature, 595, 2021
7MT8
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BU of 7mt8 by Molmil
Rhodopsin kinase (GRK1)-S5E/S488E/T489E in complex with rhodopsin
分子名称: RETINAL, Rhodopsin, Rhodopsin kinase GRK1, ...
著者Chen, Q, Chen, C.-L, Tesmer, J.J.G.
登録日2021-05-13
公開日2021-07-07
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
Nature, 595, 2021

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