7LK1
 
 | | Ornithine Aminotransferase (OAT) with its potent inhibitor - (S)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (SS-1-148) - 1 Hour Soaking | | Descriptor: | (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | | Authors: | Butrin, A, Shen, S, Liu, D, Silverman, R. | | Deposit date: | 2021-02-01 | | Release date: | 2022-02-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Turnover and Inactivation Mechanisms for ( S )-3-Amino-4,4-difluorocyclopent-1-enecarboxylic Acid, a Selective Mechanism-Based Inactivator of Human Ornithine Aminotransferase.
J.Am.Chem.Soc., 143, 2021
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7LK0
 | | Ornithine Aminotransferase (OAT) cocrystallized with its potent inhibitor - (S)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (SS-1-148) | | Descriptor: | (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | | Authors: | Butrin, A, Shen, S, Liu, D, Silverman, R. | | Deposit date: | 2021-02-01 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Turnover and Inactivation Mechanisms for ( S )-3-Amino-4,4-difluorocyclopent-1-enecarboxylic Acid, a Selective Mechanism-Based Inactivator of Human Ornithine Aminotransferase.
J.Am.Chem.Soc., 143, 2021
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8EZ1
 | | Human Ornithine Aminotransferase (hOAT) co-crystallized with its inactivator 3-Amino-4-fluorocyclopentenecarboxylic Acid | | Descriptor: | (1R,3S,4Z)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid, (3E,4E)-4-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-iminocyclopent-1-ene-1-carboxylic acid, Ornithine aminotransferase, ... | | Authors: | Butrin, A, Shen, S, Silverman, R, Liu, D. | | Deposit date: | 2022-10-30 | | Release date: | 2023-02-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural and Mechanistic Basis for the Inactivation of Human Ornithine Aminotransferase by (3 S ,4 S )-3-Amino-4-fluorocyclopentenecarboxylic Acid.
Molecules, 28, 2023
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6V8D
 | | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators | | Descriptor: | (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | | Authors: | Zhu, W, Doubleday, P.T, Catlin, D.S, Weerawarna, P, Butrin, A, Shen, S, Kelleher, N.L, Liu, D, Silverman, R.B. | | Deposit date: | 2019-12-10 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators
To Be Published
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6V8C
 | | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators | | Descriptor: | 3-aminocyclohexa-1,3-diene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | | Authors: | Zhu, W, Doubleday, P.T, Catlin, D.S, Weerawarna, P, Butrin, A, Shen, S, Kelleher, N.L, Liu, D, Silverman, R.B. | | Deposit date: | 2019-12-10 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators
To Be Published
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6AAX
 | | Crystal structure of TFB1M and h45 with SAM in homo sapiens | | Descriptor: | DI(HYDROXYETHYL)ETHER, Dimethyladenosine transferase 1, mitochondrial, ... | | Authors: | Liu, X, Shen, S, Wu, P, Li, F, Gong, Q, Wu, J, Zhang, H, Shi, Y. | | Deposit date: | 2018-07-19 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.994 Å) | | Cite: | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function.
Nucleic Acids Res., 47, 2019
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6AJK
 | | Crystal structure of TFB1M and h45 in homo sapiens | | Descriptor: | Dimethyladenosine transferase 1, mitochondrial, RNA (28-MER) | | Authors: | Liu, X, Shen, S, Wu, P, Li, F, Wang, C, Gong, Q, Wu, J, Zhang, H, Shi, Y. | | Deposit date: | 2018-08-28 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function.
Nucleic Acids Res., 47, 2019
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7JX9
 | | The crystal structure of human ornithine aminotransferase with an intermediate bound during inactivation by (1S,3S)-3-amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic acid. | | Descriptor: | (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid, N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine, Ornithine aminotransferase, ... | | Authors: | Butrin, A, Beaupre, B, Shen, S, Silverman, R.B, Moran, G, Liu, D. | | Deposit date: | 2020-08-26 | | Release date: | 2021-01-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural and Kinetic Analyses Reveal the Dual Inhibition Modes of Ornithine Aminotransferase by (1 S ,3 S )-3-Amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic Acid (BCF 3 ).
Acs Chem.Biol., 16, 2021
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7CNC
 | | cystal structure of human ERH in complex with DGCR8 | | Descriptor: | Enhancer of rudimentary homolog, Microprocessor complex subunit DGCR8 | | Authors: | Li, F, Shen, S. | | Deposit date: | 2020-07-30 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | ERH facilitates microRNA maturation through the interaction with the N-terminus of DGCR8.
Nucleic Acids Res., 48, 2020
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6R0K
 | | X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with a inhibitor SS208 | | Descriptor: | 5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide, Histone deacetylase 6, POTASSIUM ION, ... | | Authors: | Barinka, C, Ustinova, K, Motlova, L, Pavlicek, J. | | Deposit date: | 2019-03-13 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Discovery of a New Isoxazole-3-hydroxamate-Based Histone Deacetylase 6 Inhibitor SS-208 with Antitumor Activity in Syngeneic Melanoma Mouse Models.
J.Med.Chem., 62, 2019
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6THV
 | | X-ray structure of the Danio rerio histone deacetylase 6 (HDAC6; catalytic domain 2) in complex with Tubastatin A | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Barinka, C, Motlova, L, Svoboda, M. | | Deposit date: | 2019-11-21 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural and in Vivo Characterization of Tubastatin A, a Widely Used Histone Deacetylase 6 Inhibitor.
Acs Med.Chem.Lett., 11, 2020
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6ZW1
 | | X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101 | | Descriptor: | 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide, GLYCEROL, Histone deacetylase 6, ... | | Authors: | Barinka, C, Motlova, L, Ustinova, K. | | Deposit date: | 2020-07-27 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model.
J.Med.Chem., 64, 2021
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7EIO
 | | Crystal Structure of Mei2 RRM3 | | Descriptor: | GLYCEROL, Meiosis protein mei2, SULFATE ION | | Authors: | Shen, S.Y, Li, F.D. | | Deposit date: | 2021-03-31 | | Release date: | 2022-04-06 | | Last modified: | 2022-10-05 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Structural insights reveal the specific recognition of meiRNA by the Mei2 protein.
J Mol Cell Biol, 14, 2022
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7EIU
 | | Crystal structure of Mei2 RRM3 in complex with 8mer meiRNA | | Descriptor: | GLYCEROL, Meiosis protein mei2, RNA (5'-R(P*UP*UP*CP*UP*GP*C)-3') | | Authors: | Shen, S.Y, Lv, M.Q. | | Deposit date: | 2021-03-31 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.349 Å) | | Cite: | Structural insights reveal the specific recognition of meiRNA by the Mei2 protein.
J Mol Cell Biol, 14, 2022
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4DUM
 | | Co-crystal structure of eIF4E with inhibitor | | Descriptor: | (4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid, 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 4E | | Authors: | Min, X, Johnstone, S, Walker, N, Wang, Z. | | Deposit date: | 2012-02-22 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
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4DT6
 | | Co-crystal structure of eIF4E with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate), Eukaryotic translation initiation factor 4E, ... | | Authors: | Min, X, Johnstone, S, Walker, N, Wang, Z. | | Deposit date: | 2012-02-20 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
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5H4B
 | | Crystal structure of Cbln4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-4 | | Authors: | Zhong, C, Shen, J, Zhang, H, Ding, J. | | Deposit date: | 2016-10-31 | | Release date: | 2017-09-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
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1CE0
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5H48
 | | Crystal structure of Cbln1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1 | | Authors: | Zhong, C, Shen, J, Zhang, H, Ding, J. | | Deposit date: | 2016-10-31 | | Release date: | 2017-09-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
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5H4C
 | | Crystal structure of Cbln4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein Cbln4 | | Authors: | Zhong, C, Shen, J, Zhang, H, Ding, J. | | Deposit date: | 2016-10-31 | | Release date: | 2017-09-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
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5H49
 | | Crystal structure of Cbln1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1 | | Authors: | Zhong, C, Shen, J, Zhang, H, Ding, J. | | Deposit date: | 2016-10-31 | | Release date: | 2017-09-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
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6TCY
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7SG4
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8JLR
 | | A77636-bound hTAAR1-Gs protein complex | | Descriptor: | (1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol, 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: | Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H. | | Deposit date: | 2023-06-02 | | Release date: | 2023-11-15 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
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8JLJ
 | | T1AM-bound mTAAR1-Gs protein complex | | Descriptor: | 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol, 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: | Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H. | | Deposit date: | 2023-06-02 | | Release date: | 2023-11-15 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
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