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4EUF
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BU of 4euf by Molmil
Crystal structure of Clostridium acetobutulicum trans-2-enoyl-CoA reductase in complex with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative reductase CA_C0462, SODIUM ION
Authors:Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J.
Deposit date:2012-04-25
Release date:2012-11-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013
4EUH
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BU of 4euh by Molmil
Crystal structure of Clostridium acetobutulicum trans-2-enoyl-CoA reductase apo form
Descriptor: Putative reductase CA_C0462, SODIUM ION
Authors:Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J.
Deposit date:2012-04-25
Release date:2012-11-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013
5I9E
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BU of 5i9e by Molmil
Crystal structure of a nuclear actin ternary complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ...
Authors:Chen, Z, Cao, T.
Deposit date:2016-02-20
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a nuclear actin ternary complex.
Proc.Natl.Acad.Sci.USA, 113, 2016
5TP9
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BU of 5tp9 by Molmil
Structure of the human GluN1/GluN2A LBD in complex with compound 2 (GNE9178)
Descriptor: 7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, ACETATE ION, CALCIUM ION, ...
Authors:Wallweber, H.J.A, Lupardus, P.J.
Deposit date:2016-10-20
Release date:2016-11-30
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile.
ACS Med Chem Lett, 8, 2017
5TPA
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BU of 5tpa by Molmil
Structure of the human GluN1/GluN2A LBD in complex with compound 9 (GNE3500)
Descriptor: (1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile, GLUTAMIC ACID, GLYCINE, ...
Authors:Wallweber, H.J.A, Lupardus, P.J.
Deposit date:2016-10-20
Release date:2016-11-30
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile.
ACS Med Chem Lett, 8, 2017
8JGF
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BU of 8jgf by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22
Descriptor: BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
Deposit date:2023-05-20
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGG
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BU of 8jgg by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22
Descriptor: BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Sun, J.P, Xu, H.E, Ynag, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
Deposit date:2023-05-20
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGB
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BU of 8jgb by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist CNF-Tx2
Descriptor: Conorfamide-Tx2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
Deposit date:2023-05-20
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
4HVB
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BU of 4hvb by Molmil
Catalytic unit of PI3Kg in complex with PI3K/mTOR dual inhibitor PF-04979064
Descriptor: 1-{1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Cheng, H.
Deposit date:2012-11-05
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
5H1U
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BU of 5h1u by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 2
Descriptor: 2-amino-1,3-benzothiazole-6-carboxamide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ...
Authors:Liu, J.
Deposit date:2016-10-11
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
5H1T
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BU of 5h1t by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 1
Descriptor: DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ZINC ION, ...
Authors:Liu, J.
Deposit date:2016-10-11
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
5YYF
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BU of 5yyf by Molmil
Crystal structure of AF9 YEATS domain in complex with a peptide inhibitor "PHQ-H3(Q5-K9)" modified at K9 with 2-furancarboyl group
Descriptor: 2-FUROIC ACID, Peptide inhibitor PHQ-H3(Q5-K9), Protein AF-9, ...
Authors:Li, Y, Li, H.
Deposit date:2017-12-09
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Structure-guided development of YEATS domain inhibitors by targeting pi-pi-pi stacking.
Nat. Chem. Biol., 14, 2018
5GH9
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BU of 5gh9 by Molmil
Crystal structure of CBP Bromodomain with H3K56ac peptide
Descriptor: CREB-binding protein, Histone H3
Authors:Xu, L.
Deposit date:2016-06-19
Release date:2017-06-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Structural insight into CBP bromodomain-mediated recognition of acetylated histone H3K56ac
FEBS J., 2017
5H1V
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BU of 5h1v by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 6
Descriptor: 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ...
Authors:Liu, J.
Deposit date:2016-10-11
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
4JOL
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BU of 4jol by Molmil
Complex structure of AML1-ETO NHR2 domain with HEB fragment
Descriptor: Protein CBFA2T1, Transcription factor 12
Authors:Wang, Z, Patel, D.J.
Deposit date:2013-03-18
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:A stable transcription factor complex nucleated by oligomeric AML1-ETO controls leukaemogenesis.
Nature, 500, 2013
5ZI6
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BU of 5zi6 by Molmil
The RING domain structure of MEX-3C
Descriptor: RNA-binding E3 ubiquitin-protein ligase MEX3C, ZINC ION
Authors:Moududee, S.A, Tang, Y.
Deposit date:2018-03-14
Release date:2018-10-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional characterization of hMEX-3C Ring finger domain as an E3 ubiquitin ligase
Protein Sci., 27, 2018
3ML9
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BU of 3ml9 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
3ML8
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BU of 3ml8 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
4JZR
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BU of 4jzr by Molmil
Structure of Prolyl Hydroxylase Domain-containing Protein (PHD) with Inhibitors
Descriptor: 1,2-ETHANEDIOL, 2-(biphenyl-4-yl)-8-[(1-methyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one, Egl nine homolog 1, ...
Authors:Ma, Y, Yang, L.
Deposit date:2013-04-03
Release date:2013-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel complex crystal structure of prolyl hydroxylase domain-containing protein 2 (PHD2): 2,8-Diazaspiro[4.5]decan-1-ones as potent, orally bioavailable PHD2 inhibitors
Bioorg.Med.Chem., 21, 2013
5Y1U
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BU of 5y1u by Molmil
Crystal structure of RBBP4 bound to AEBP2 RRK motif
Descriptor: Histone-binding protein RBBP4, SULFATE ION, Zinc finger protein AEBP2
Authors:Sun, A, Li, F, Wu, J, Shi, Y.
Deposit date:2017-07-21
Release date:2018-04-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Structural and biochemical insights into human zinc finger protein AEBP2 reveals interactions with RBBP4
Protein Cell, 2017
8H0P
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BU of 8h0p by Molmil
Structure of the NMB30-NMBR and Gq complex
Descriptor: G-alpha q, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Li, C, Xu, Y, Liu, H, Cai, H, Xu, H.E, Yin, W.
Deposit date:2022-09-30
Release date:2023-08-09
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Molecular recognition of itch-associated neuropeptides by bombesin receptors
Cell Res., 33, 2023
8H0Q
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BU of 8h0q by Molmil
Structure of the GRP14-27-GRPR-Gq complex
Descriptor: CHOLESTEROL, G-alpha q, GRP, ...
Authors:Li, C, Xu, Y, Liu, H, Cai, H, Xu, H.E, Yin, W.
Deposit date:2022-09-30
Release date:2023-08-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular recognition of itch-associated neuropeptides by bombesin receptors
Cell Res., 33, 2023
8IUM
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BU of 8ium by Molmil
Cryo-EM structure of the tafluprost acid-bound human PTGFR-Gq complex
Descriptor: (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ...
Authors:Wu, C, Xu, Y, Xu, H.E.
Deposit date:2023-03-24
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
8IUK
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BU of 8iuk by Molmil
Cryo-EM structure of the PGF2-alpha-bound human PTGFR-Gq complex
Descriptor: (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ...
Authors:Wu, C, Xu, Y, Xu, H.E.
Deposit date:2023-03-24
Release date:2023-07-12
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
8IUL
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BU of 8iul by Molmil
Cryo-EM structure of the latanoprost-bound human PTGFR-Gq complex
Descriptor: Antibody fragment scFv16, G subunit alpha (q), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wu, C, Xu, Y, Xu, H.E.
Deposit date:2023-03-24
Release date:2023-07-12
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023

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數據於2024-07-10公開中

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