7LQJ
 
 | | Crystal structure of LeuT bound to L-Alanine | | Descriptor: | ALANINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ... | | Authors: | Font, J, Aguilar, J, Galli, A, Ryan, R. | | Deposit date: | 2021-02-13 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.144 Å) | | Cite: | Psychomotor impairments and therapeutic implications revealed by a mutation associated with infantile Parkinsonism-Dystonia.
Elife, 10, 2021
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7LQL
 | | Crystal structure of the R375D mutant of LeuT | | Descriptor: | ALANINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ... | | Authors: | Font, J, Aguilar, J, Galli, A, Ryan, R. | | Deposit date: | 2021-02-13 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Psychomotor impairments and therapeutic implications revealed by a mutation associated with infantile Parkinsonism-Dystonia.
Elife, 10, 2021
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3GJD
 | | Crystal Structure of LeuT with bound OG | | Descriptor: | CHLORIDE ION, LEUCINE, SODIUM ION, ... | | Authors: | Winther, A.M.L, Quick, M, Javitch, J.A, Nissen, P. | | Deposit date: | 2009-03-08 | | Release date: | 2009-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation
Proc.Natl.Acad.Sci.USA, 106, 2009
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3GJC
 | | Crystal Structure of the E290S mutant of LeuT with bound OG | | Descriptor: | LEUCINE, SODIUM ION, Transporter, ... | | Authors: | Winther, A.M.L, Quick, M, Javitch, J.A, Nissen, P. | | Deposit date: | 2009-03-08 | | Release date: | 2009-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation
Proc.Natl.Acad.Sci.USA, 106, 2009
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6CG1
 | | Crystal Structure of KDM4A with Compound 14 | | Descriptor: | 3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | Hosfield, D.J, Nie, Z. | | Deposit date: | 2018-02-19 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structure-based design and discovery of potent and selective KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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6C54
 | | Ebola nucleoprotein nucleocapsid-like assembly and the asymmetric unit | | Descriptor: | Nucleoprotein | | Authors: | Su, Z, Wu, C, Pintilie, G.D, Chiu, W, Amarasinghe, G.K, Leung, D.W. | | Deposit date: | 2018-01-13 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (5.8 Å) | | Cite: | Electron Cryo-microscopy Structure of Ebola Virus Nucleoprotein Reveals a Mechanism for Nucleocapsid-like Assembly.
Cell, 172, 2018
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6CKS
 | | Crystal Structure of BRD4 with QC4956 | | Descriptor: | 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one, Bromodomain-containing protein 4 | | Authors: | Hosfield, D.J. | | Deposit date: | 2018-02-28 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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6CHC
 | | JzTx-V toxin peptide, wild-type | | Descriptor: | Beta/kappa-theraphotoxin-Cg2a | | Authors: | Jordan, J.B. | | Deposit date: | 2018-02-22 | | Release date: | 2018-05-16 | | Method: | SOLUTION NMR | | Cite: | Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V.
PLoS ONE, 13, 2018
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6CKR
 | | Crystal Structure of BRD4 with QC4956 | | Descriptor: | Bromodomain-containing protein 4, N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide | | Authors: | Hosfield, D.J. | | Deposit date: | 2018-02-28 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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6D3J
 | | FT_T dioxygenase holoenzyme | | Descriptor: | 2-OXOGLUTARIC ACID, COBALT (II) ION, FT_T dioxygenase | | Authors: | Rydel, T.J, Halls, C.E. | | Deposit date: | 2018-04-16 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
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6CG2
 | | Crystal Structure of KDM4A with Compound 8 | | Descriptor: | 2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | Hosfield, D.J, Nie, Z. | | Deposit date: | 2018-02-19 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structure-based design and discovery of potent and selective KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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6D1O
 | | FT_5 dioxygenase apoenzyme | | Descriptor: | (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase | | Authors: | Rydel, T.J, Halls, C.E. | | Deposit date: | 2018-04-12 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
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6D3M
 | | FT_T dioxygenase with bound quizalofop | | Descriptor: | (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ... | | Authors: | Rydel, T.J, Halls, C.E. | | Deposit date: | 2018-04-16 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
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6D0O
 | | rdpA dioxygenase holoenzyme | | Descriptor: | (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, COBALT (II) ION | | Authors: | Rydel, T.J, Sturman, E.J, Zheng, M, Evdokimov, A. | | Deposit date: | 2018-04-10 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
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6CGW
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6D3I
 | | ftv7 dioxygenase with 2,4-D bound | | Descriptor: | (2,4-DICHLOROPHENOXY)ACETIC ACID, 2-OXOGLUTARIC ACID, COBALT (II) ION, ... | | Authors: | Rydel, T.J, Halls, C.E. | | Deposit date: | 2018-04-16 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.196 Å) | | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
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6D3H
 | | FT_T dioxygenase with bound dichlorprop | | Descriptor: | (2R)-2-(2,4-dichlorophenoxy)propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ... | | Authors: | Rydel, T.J, Halls, C.E. | | Deposit date: | 2018-04-16 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
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5TR6
 | | Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK) | | Descriptor: | 1,2-ETHANEDIOL, 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one, Tyrosine-protein kinase SYK | | Authors: | Yano, J, Jennings, A, Lam, B, Hoffman, I.D. | | Deposit date: | 2016-10-25 | | Release date: | 2016-11-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).
Bioorg. Med. Chem. Lett., 26, 2016
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5VMP
 | | Crystal Structure of Human KDM4 with Small Molecule Inhibitor QC5714 | | Descriptor: | 3-({[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | Hosfield, D.J. | | Deposit date: | 2017-04-28 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
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5TT7
 | | Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK) | | Descriptor: | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one, Tyrosine-protein kinase SYK | | Authors: | Yano, J, Jennings, A, Lam, B, Hoffman, I.D. | | Deposit date: | 2016-11-01 | | Release date: | 2016-11-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).
Bioorg. Med. Chem. Lett., 26, 2016
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5VGI
 | | Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352 | | Descriptor: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | Hosfield, D.J. | | Deposit date: | 2017-04-11 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
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4LM8
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7WPO
 | | Structure of NeoCOV RBD binding to Bat37 ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cao, L, Wang, X, Tortorici, M.A, Veesler, D. | | Deposit date: | 2022-01-24 | | Release date: | 2022-11-30 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
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7WPZ
 | | Structure of PDF-2180-COV RBD binding to Bat37 ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | | Authors: | Cao, L, Wang, X, Tortorici, M.A, Veesler, D. | | Deposit date: | 2022-01-24 | | Release date: | 2022-11-30 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
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3PBL
 | | Structure of the human dopamine D3 receptor in complex with eticlopride | | Descriptor: | 3-chloro-5-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide, D(3) dopamine receptor, Lysozyme chimera, ... | | Authors: | Chien, E.Y.T, Liu, W, Han, G.W, Katritch, V, Zhao, Q, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2010-10-20 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure of the human dopamine d3 receptor in complex with a d2/d3 selective antagonist.
Science, 330, 2010
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