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1TSL
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BU of 1tsl by Molmil
L. CASEI THYMIDYLATE SYNTHASE WITH SPECIES SPECIFIC INHIBITOR
分子名称: 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-1-ONE, PHOSPHATE ION, THYMIDYLATE SYNTHASE
著者Stout, T.J, Stroud, R.M.
登録日1997-06-12
公開日1998-06-17
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based design of inhibitors specific for bacterial thymidylate synthase.
Biochemistry, 38, 1999
4XV5
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BU of 4xv5 by Molmil
CcP gateless cavity
分子名称: BENZIMIDAZOLE, Cytochrome c peroxidase, mitochondrial, ...
著者Fischer, M, Fraser, J.S.
登録日2015-01-26
公開日2015-02-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites.
Chembiochem, 16, 2015
4XV7
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BU of 4xv7 by Molmil
CcP gateless cavity
分子名称: Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Fischer, M, Fraser, J.S.
登録日2015-01-26
公開日2015-02-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites.
Chembiochem, 16, 2015
4XV8
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BU of 4xv8 by Molmil
CcP gateless cavity
分子名称: BENZAMIDINE, Cytochrome c peroxidase, mitochondrial, ...
著者Fischer, M, Fraser, J.S.
登録日2015-01-26
公開日2015-02-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites.
Chembiochem, 16, 2015
4XV6
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BU of 4xv6 by Molmil
CcP gateless cavity
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, mitochondrial, ...
著者Fischer, M, Fraser, J.S.
登録日2015-01-26
公開日2015-02-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites.
Chembiochem, 16, 2015
4XVA
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BU of 4xva by Molmil
Crystal structure of wild type cytochrome c peroxidase
分子名称: BENZIMIDAZOLE, Cytochrome c peroxidase, mitochondrial, ...
著者Fischer, M, Fraser, J.S.
登録日2015-01-26
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites.
Chembiochem, 16, 2015
4XV4
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BU of 4xv4 by Molmil
CcP gateless cavity
分子名称: 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, mitochondrial, ...
著者Fischer, M, Fraser, J.S.
登録日2015-01-26
公開日2015-02-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites.
Chembiochem, 16, 2015
6DPX
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BU of 6dpx by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6DPZ
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BU of 6dpz by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: (1R,2S)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6DPT
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BU of 6dpt by Molmil
X-ray crystal structure of AmpC beta-lactamase with nanomolar inhibitor
分子名称: 3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6DPY
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BU of 6dpy by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
7UM5
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BU of 7um5 by Molmil
CryoEM structure of Go-coupled 5-HT5AR in complex with 5-CT
分子名称: 3-(2-azanylethyl)-1H-indole-5-carboxamide, 5-hydroxytryptamine receptor 5A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhang, S, Fay, J.F, Roth, B.L.
登録日2022-04-06
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Inactive and active state structures template selective tools for the human 5-HT 5A receptor.
Nat.Struct.Mol.Biol., 29, 2022
7UM4
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BU of 7um4 by Molmil
Crystal structure of inactive 5-HT5AR in complex with AS2674723
分子名称: 5-hydroxytryptamine receptor 5A, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
著者Zhang, S, Roth, B.L.
登録日2022-04-06
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Inactive and active state structures template selective tools for the human 5-HT 5A receptor.
Nat.Struct.Mol.Biol., 29, 2022
7UM6
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BU of 7um6 by Molmil
CryoEM structure of Go-coupled 5-HT5AR in complex with Lisuride
分子名称: 5-hydroxytryptamine receptor 5A, 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Zhang, S, Fay, J.F, Roth, B.L.
登録日2022-04-06
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Inactive and active state structures template selective tools for the human 5-HT 5A receptor.
Nat.Struct.Mol.Biol., 29, 2022
7UM7
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BU of 7um7 by Molmil
CryoEM structure of Go-coupled 5-HT5AR in complex with Methylergometrine
分子名称: (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 5A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhang, S, Fay, J.F, Roth, B.L.
登録日2022-04-06
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Inactive and active state structures template selective tools for the human 5-HT 5A receptor.
Nat.Struct.Mol.Biol., 29, 2022
7RAN
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BU of 7ran by Molmil
5-HT2AR bound to a novel agonist in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM)
分子名称: (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium, 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), ...
著者Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G.
登録日2021-07-02
公開日2022-07-06
最終更新日2022-11-02
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Bespoke library docking for 5-HT 2A receptor agonists with antidepressant activity.
Nature, 610, 2022
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
3ID7
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BU of 3id7 by Molmil
Crystal structure of renal dipeptidase from Streptomyces coelicolor A3(2)
分子名称: CHLORIDE ION, Dipeptidase, ZINC ION
著者Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C.
登録日2009-07-20
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase .
Biochemistry, 49, 2010
3ITC
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BU of 3itc by Molmil
Crystal structure of Sco3058 with bound citrate and glycerol
分子名称: CITRIC ACID, GLYCEROL, ZINC ION, ...
著者Nguyen, T.T, Cummings, J.A, Tsai, C.-L, Barondeau, D.P, Raushel, F.M.
登録日2009-08-28
公開日2010-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase
Biochemistry, 49, 2010
3K5X
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BU of 3k5x by Molmil
Crystal structure of dipeptidase from Streptomics coelicolor complexed with phosphinate pseudodipeptide L-Ala-D-Asp at 1.4A resolution.
分子名称: Dipeptidase, ZINC ION, phosphinate pseudodipeptide L-Ala-D-Asp
著者Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C.
登録日2009-10-08
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase .
Biochemistry, 49, 2010
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

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