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7S8L
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BU of 7s8l by Molmil
CryoEM structure of Gq-coupled MRGPRX2 with peptide agonist Cortistatin-14
分子名称: Cortistatin 14, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
登録日2021-09-18
公開日2021-11-17
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8N
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BU of 7s8n by Molmil
CryoEM structure of Gq-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573
分子名称: (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
登録日2021-09-18
公開日2021-11-17
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8O
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BU of 7s8o by Molmil
CryoEM structure of Gi-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573
分子名称: (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, 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, ...
著者Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
登録日2021-09-18
公開日2021-11-17
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8P
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BU of 7s8p by Molmil
CryoEM structure of Gq-coupled MRGPRX4 with small molecule agonist MS47134
分子名称: Gs-mini-Gq chimera, 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, ...
著者Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
登録日2021-09-18
公開日2021-11-17
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8M
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BU of 7s8m by Molmil
CryoEM structure of Gi-coupled MRGPRX2 with peptide agonist Cortistatin-14
分子名称: Cortistatin 14, 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, ...
著者Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
登録日2021-09-18
公開日2021-11-17
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
3FDK
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BU of 3fdk by Molmil
Crystal structure of hydrolase DR0930 with promiscuous catalytic activity
分子名称: HYDROLASE DR0930, ZINC ION
著者Fedorov, A.A, Fedorov, L.V, Xiang, D.F, Raushel, F.M, Almo, S.C.
登録日2008-11-25
公開日2009-06-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional annotation and three-dimensional structure of Dr0930 from Deinococcus radiodurans, a close relative of phosphotriesterase in the amidohydrolase superfamily.
Biochemistry, 48, 2009
8DWC
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BU of 8dwc by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22
分子名称: Gs-mini-Gq chimera, 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, ...
著者Liu, Y, Cao, C, Fay, J.F, Roth, B.L.
登録日2022-08-01
公開日2022-11-02
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
8DWH
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BU of 8dwh by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with ligand Compound-16
分子名称: Gs-mini-Gq chimera, 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, ...
著者Liu, Y, Cao, C, Fay, J.F, Roth, B.L.
登録日2022-08-01
公開日2022-11-02
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
8DWG
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BU of 8dwg by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with peptide ligand BAM8-22 and positive allosteric modulator ML382
分子名称: 2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liu, Y, Cao, C, Fay, J.F, Roth, B.L.
登録日2022-08-01
公開日2022-11-02
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
2BLS
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BU of 2bls by Molmil
AMPC BETA-LACTAMASE FROM ESCHERICHIA COLI
分子名称: AMPC BETA-LACTAMASE
著者Usher, K.C, Wery, J.-P, Blaszczak, L.C, Remington, S.J.
登録日1998-06-03
公開日1998-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structure of AmpC beta-lactamase from Escherichia coli bound to a transition-state analogue: possible implications for the oxyanion hypothesis and for inhibitor design.
Biochemistry, 37, 1998
7M96
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BU of 7m96 by Molmil
Bovine sigma-2 receptor bound to Z4857158944
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one, ...
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7M95
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BU of 7m95 by Molmil
Bovine sigma-2 receptor bound to Z1241145220
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine, CHOLESTEROL, ...
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7MFI
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BU of 7mfi by Molmil
Bovine sigma-2 receptor bound to cholesterol
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLESTEROL, ...
著者Alon, A, Kruse, A.C.
登録日2021-04-09
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7M94
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BU of 7m94 by Molmil
Bovine sigma-2 receptor bound to Roluperidone
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Roluperidone, Sigma intracellular receptor 2
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7M93
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BU of 7m93 by Molmil
Bovine sigma-2 receptor bound to PB28
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PB28, Sigma intracellular receptor 2
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
4JM6
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BU of 4jm6 by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,4-diaminopyrimidine
分子名称: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-13
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JM9
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BU of 4jm9 by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-amino-1-methylpyridinium
分子名称: 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE, Cytochrome c peroxidase, IODIDE ION, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-13
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JM8
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BU of 4jm8 by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,6-diaminopyridine
分子名称: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-13
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JMA
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BU of 4jma by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-Fluorocatechol
分子名称: 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-13
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JMW
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BU of 4jmw by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with Phenol
分子名称: Cytochrome c peroxidase, PHENOL, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fish, I.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4NVG
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BU of 4nvg by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PHOSPHATE ION, ...
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.742 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVC
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BU of 4nvc by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: BENZAMIDINE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVF
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BU of 4nvf by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVD
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BU of 4nvd by Molmil
Predicting protein conformational response in prospective ligand discovery.
分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, quinazolin-4-amine
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4OQ7
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BU of 4oq7 by Molmil
Predicting protein conformational response in prospective ligand discovery.
分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fraser, J.S.
登録日2014-02-07
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014

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