8J1H
 
 | | Agonist1 and Ruthenium Red bound state of mTRPV4 | | Descriptor: | 8-fluoranyl-3-[4-(4-fluoranylphenoxy)phenyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-one, Transient receptor potential cation channel subfamily V member 4 | | Authors: | Zhen, W.X, Yang, F. | | Deposit date: | 2023-04-12 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.88 Å) | | Cite: | Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel.
Cell Discov, 9, 2023
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8J1D
 | | Cryo-EM structure of apo state mTRPV4 | | Descriptor: | Transient receptor potential cation channel subfamily V member 4 | | Authors: | Zhen, W.X, Yang, F. | | Deposit date: | 2023-04-12 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel.
Cell Discov, 9, 2023
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8J1B
 | | GSK101 and Ruthenium Red bound state of mTRPV4 | | Descriptor: | N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4, ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2) | | Authors: | Zhen, W.X, Yang, F. | | Deposit date: | 2023-04-12 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel.
Cell Discov, 9, 2023
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8J1F
 | | GSK101 bound state of mTRPV4 | | Descriptor: | N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4 | | Authors: | Zhen, W.X, Yang, F. | | Deposit date: | 2023-04-12 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel.
Cell Discov, 9, 2023
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8IP4
 | | Cryo-EM structure of hMRS-highEDTA | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | | Deposit date: | 2023-03-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel.
Nat Commun, 14, 2023
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8IP5
 | | Cryo-EM structure of hMRS2-lowEDTA | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Magnesium transporter MRS2 homolog, ... | | Authors: | Li, M, Li, Y, Yang, X, Shen, Y.Q. | | Deposit date: | 2023-03-14 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Molecular basis of Mg 2+ permeation through the human mitochondrial Mrs2 channel.
Nat Commun, 14, 2023
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3CT2
 | | Crystal structure of muconate cycloisomerase from Pseudomonas fluorescens | | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-04-11 | | Release date: | 2008-04-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes.
Biochemistry, 48, 2009
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5J5D
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5K0I
 | | mpges1 bound to an inhibitor | | Descriptor: | 1,5-anhydro-2,3,4-trideoxy-3-{[(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-D-erythro-hexitol, GLUTATHIONE, Prostaglandin E synthase, ... | | Authors: | Luz, J.G, Kuklish, S.L. | | Deposit date: | 2016-05-17 | | Release date: | 2016-09-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Characterization of 3,3-dimethyl substituted N-aryl piperidines as potent microsomal prostaglandin E synthase-1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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1MAT
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7REN
 | | Room temperature serial crystal structure of Glutaminase C in complex with inhibitor UPGL-00004 | | Descriptor: | 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Milano, S.K, Finke, A, Cerione, R.A. | | Deposit date: | 2021-07-13 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography.
J.Biol.Chem., 298, 2022
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7RGG
 | | Room temperature serial crystal structure of Glutaminase C in complex with inhibitor BPTES | | Descriptor: | Glutaminase kidney isoform, mitochondrial 68 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide) | | Authors: | Milano, S.K, Finke, A, Cerione, R.A. | | Deposit date: | 2021-07-15 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography.
J.Biol.Chem., 298, 2022
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7SBN
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7SBM
 | | Human glutaminase C (Y466W) with L-Gln, open conformation | | Descriptor: | GLUTAMINE, Isoform 3 of Glutaminase kidney isoform, mitochondrial | | Authors: | Nguyen, T.-T.T, Cerione, R.A. | | Deposit date: | 2021-09-25 | | Release date: | 2022-02-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | High-resolution structures of mitochondrial glutaminase C tetramers indicate conformational changes upon phosphate binding.
J.Biol.Chem., 298, 2022
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5BQG
 | | Crystal Structure of mPGES-1 Bound to an Inhibitor | | Descriptor: | 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | | Deposit date: | 2015-05-29 | | Release date: | 2016-04-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.436 Å) | | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
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5BQI
 | | Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide, GLUTATHIONE, ... | | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | | Deposit date: | 2015-05-29 | | Release date: | 2016-04-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
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5WQD
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6ULJ
 | | Crystal structure of human GAC in complex with inhibitor UPGL00012 | | Descriptor: | 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Huang, Q, Cerione, R.A. | | Deposit date: | 2019-10-08 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00045
To Be Published
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6UK6
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6UL9
 | | Crystal structure of human GAC in complex with inhibitor UPGL00023 | | Descriptor: | 2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Huang, Q.Q, Cerione, R.A. | | Deposit date: | 2019-10-07 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
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6UJM
 | | Crystal structure of human GAC in complex with inhibitor UPGL00013 | | Descriptor: | Glutaminase kidney isoform, mitochondrial, N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide | | Authors: | Huang, Q, Cerione, R.A. | | Deposit date: | 2019-10-03 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00013
To Be Published
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6ULA
 | | Crystal structure of human GAC in complex with inhibitor UPGL00012 | | Descriptor: | 2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Huang, Q, Cerione, R.A. | | Deposit date: | 2019-10-07 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00030
To Be Published
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6NQD
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5BQH
 | | Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | | Descriptor: | (2-hydroxyethoxy)acetaldehyde, GLUTATHIONE, N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide, ... | | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | | Deposit date: | 2015-05-29 | | Release date: | 2016-04-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
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5XYF
 | | Crystal structure of the human TIN2-TPP1-TRF2 telomeric complex | | Descriptor: | Adrenocortical dysplasia protein homolog, TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 2 | | Authors: | Hu, C, Chen, Y. | | Deposit date: | 2017-07-07 | | Release date: | 2017-12-13 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Structural and functional analyses of the mammalian TIN2-TPP1-TRF2 telomeric complex.
Cell Res., 27, 2017
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