1TSL
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4XV5
| CcP gateless cavity | Descriptor: | BENZIMIDAZOLE, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Fischer, M, Fraser, J.S. | Deposit date: | 2015-01-26 | Release date: | 2015-02-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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4XV7
| CcP gateless cavity | Descriptor: | Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Fischer, M, Fraser, J.S. | Deposit date: | 2015-01-26 | Release date: | 2015-02-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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4XV8
| CcP gateless cavity | Descriptor: | BENZAMIDINE, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Fischer, M, Fraser, J.S. | Deposit date: | 2015-01-26 | Release date: | 2015-02-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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4XV6
| CcP gateless cavity | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Fischer, M, Fraser, J.S. | Deposit date: | 2015-01-26 | Release date: | 2015-02-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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4XVA
| Crystal structure of wild type cytochrome c peroxidase | Descriptor: | BENZIMIDAZOLE, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Fischer, M, Fraser, J.S. | Deposit date: | 2015-01-26 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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4XV4
| CcP gateless cavity | Descriptor: | 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Fischer, M, Fraser, J.S. | Deposit date: | 2015-01-26 | Release date: | 2015-02-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem, 16, 2015
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6DPX
| X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid, Beta-lactamase | Authors: | Singh, I. | Deposit date: | 2018-06-09 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
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6DPZ
| X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | (1R,2S)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid, Beta-lactamase | Authors: | Singh, I. | Deposit date: | 2018-06-09 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
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6DPT
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6DPY
| X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid, Beta-lactamase | Authors: | Singh, I. | Deposit date: | 2018-06-09 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
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7UM5
| CryoEM structure of Go-coupled 5-HT5AR in complex with 5-CT | Descriptor: | 3-(2-azanylethyl)-1H-indole-5-carboxamide, 5-hydroxytryptamine receptor 5A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhang, S, Fay, J.F, Roth, B.L. | Deposit date: | 2022-04-06 | Release date: | 2022-07-20 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Inactive and active state structures template selective tools for the human 5-HT 5A receptor. Nat.Struct.Mol.Biol., 29, 2022
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7UM4
| Crystal structure of inactive 5-HT5AR in complex with AS2674723 | Descriptor: | 5-hydroxytryptamine receptor 5A, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | Authors: | Zhang, S, Roth, B.L. | Deposit date: | 2022-04-06 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inactive and active state structures template selective tools for the human 5-HT 5A receptor. Nat.Struct.Mol.Biol., 29, 2022
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7UM6
| CryoEM structure of Go-coupled 5-HT5AR in complex with Lisuride | Descriptor: | 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, ... | Authors: | Zhang, S, Fay, J.F, Roth, B.L. | Deposit date: | 2022-04-06 | Release date: | 2022-07-20 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Inactive and active state structures template selective tools for the human 5-HT 5A receptor. Nat.Struct.Mol.Biol., 29, 2022
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7UM7
| CryoEM structure of Go-coupled 5-HT5AR in complex with Methylergometrine | Descriptor: | (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, ... | Authors: | Zhang, S, Fay, J.F, Roth, B.L. | Deposit date: | 2022-04-06 | Release date: | 2022-07-20 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Inactive and active state structures template selective tools for the human 5-HT 5A receptor. Nat.Struct.Mol.Biol., 29, 2022
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7RAN
| 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) | Descriptor: | (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), ... | Authors: | Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G. | Deposit date: | 2021-07-02 | Release date: | 2022-07-06 | Last modified: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Bespoke library docking for 5-HT 2A receptor agonists with antidepressant activity. Nature, 610, 2022
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7S8L
| CryoEM structure of Gq-coupled MRGPRX2 with peptide agonist Cortistatin-14 | Descriptor: | Cortistatin 14, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | Deposit date: | 2021-09-18 | Release date: | 2021-11-17 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.45 Å) | Cite: | Structure, function and pharmacology of human itch GPCRs. Nature, 600, 2021
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7S8N
| CryoEM structure of Gq-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 | Descriptor: | (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, ... | Authors: | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | Deposit date: | 2021-09-18 | Release date: | 2021-11-17 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure, function and pharmacology of human itch GPCRs. Nature, 600, 2021
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7S8O
| CryoEM structure of Gi-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573 | Descriptor: | (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, ... | Authors: | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | Deposit date: | 2021-09-18 | Release date: | 2021-11-17 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Structure, function and pharmacology of human itch GPCRs. Nature, 600, 2021
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7S8P
| CryoEM structure of Gq-coupled MRGPRX4 with small molecule agonist MS47134 | Descriptor: | 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, ... | Authors: | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | Deposit date: | 2021-09-18 | Release date: | 2021-11-17 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structure, function and pharmacology of human itch GPCRs. Nature, 600, 2021
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7S8M
| CryoEM structure of Gi-coupled MRGPRX2 with peptide agonist Cortistatin-14 | Descriptor: | 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, ... | Authors: | Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L. | Deposit date: | 2021-09-18 | Release date: | 2021-11-17 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | Structure, function and pharmacology of human itch GPCRs. Nature, 600, 2021
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3ID7
| Crystal structure of renal dipeptidase from Streptomyces coelicolor A3(2) | Descriptor: | CHLORIDE ION, Dipeptidase, ZINC ION | Authors: | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | Deposit date: | 2009-07-20 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase . Biochemistry, 49, 2010
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3ITC
| Crystal structure of Sco3058 with bound citrate and glycerol | Descriptor: | CITRIC ACID, GLYCEROL, ZINC ION, ... | Authors: | Nguyen, T.T, Cummings, J.A, Tsai, C.-L, Barondeau, D.P, Raushel, F.M. | Deposit date: | 2009-08-28 | Release date: | 2010-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase Biochemistry, 49, 2010
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3K5X
| Crystal structure of dipeptidase from Streptomics coelicolor complexed with phosphinate pseudodipeptide L-Ala-D-Asp at 1.4A resolution. | Descriptor: | Dipeptidase, ZINC ION, phosphinate pseudodipeptide L-Ala-D-Asp | Authors: | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | Deposit date: | 2009-10-08 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase . Biochemistry, 49, 2010
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8DWC
| CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22 | Descriptor: | 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, ... | Authors: | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | Deposit date: | 2022-08-01 | Release date: | 2022-11-02 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor. Nat.Chem.Biol., 19, 2023
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