4ZIR
 
 | | Crystal structure of EcfAA' heterodimer bound to AMPPNP | | Descriptor: | CHLORIDE ION, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ... | | Authors: | Karpowich, N.K, Cocco, N, Song, J.M, Wang, D.N. | | Deposit date: | 2015-04-28 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | ATP binding drives substrate capture in an ECF transporter by a release-and-catch mechanism.
Nat.Struct.Mol.Biol., 22, 2015
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1N4A
 | | The Ligand Bound Structure of E.coli BtuF, the Periplasmic Binding Protein for Vitamin B12 | | Descriptor: | CYANOCOBALAMIN, Vitamin B12 transport protein btuF | | Authors: | Karpowich, N.K, Smith, P.C, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-10-30 | | Release date: | 2003-03-11 | | Last modified: | 2021-08-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the BtuF periplasmic-binding protein for vitamin B12 suggest a functionally important reduction in protein mobility upon ligand binding.
J.Biol.Chem., 278, 2003
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5KBW
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5KC0
 | | Crystal structure of TmRibU, hexagonal crystal form | | Descriptor: | RIBOFLAVIN, Riboflavin transporter RibU, nonyl beta-D-glucopyranoside | | Authors: | Karpowich, N.K, Wang, D.N, Song, J.M. | | Deposit date: | 2016-06-03 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.2001 Å) | | Cite: | An Aromatic Cap Seals the Substrate Binding Site in an ECF-Type S Subunit for Riboflavin.
J.Mol.Biol., 428, 2016
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5KC4
 | | Structure of TmRibU, orthorhombic crystal form | | Descriptor: | RIBOFLAVIN, Riboflavin transporter RibU, nonyl beta-D-glucopyranoside | | Authors: | Karpowich, N.K, Wang, D.N, Song, J.M. | | Deposit date: | 2016-06-04 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | An Aromatic Cap Seals the Substrate Binding Site in an ECF-Type S Subunit for Riboflavin.
J.Mol.Biol., 428, 2016
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4HLU
 | | Structure of the EcfA-A' heterodimer bound to ADP | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA, ... | | Authors: | Wang, D.N, Karpowich, N.K. | | Deposit date: | 2012-10-17 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7003 Å) | | Cite: | Assembly and mechanism of a group II ECF transporter.
Proc.Natl.Acad.Sci.USA, 110, 2013
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2QJU
 | | Crystal Structure of an NSS Homolog with Bound Antidepressant | | Descriptor: | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, CHLORIDE ION, LEUCINE, ... | | Authors: | Zhou, Z, Karpowich, N.K, Wang, D.N, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2007-07-09 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | LeuT-desipramine structure reveals how antidepressants block neurotransmitter reuptake.
Science, 317, 2007
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3GWW
 | | Leucine transporter LeuT in complex with S-fluoxetine | | Descriptor: | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, LEUCINE, SODIUM ION, ... | | Authors: | Zhou, Z, Zhen, J, Karpowich, N.K, Law, C.J, Reith, M.E.A, Wang, D.N. | | Deposit date: | 2009-04-01 | | Release date: | 2009-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Antidepressant specificity of serotonin transporter suggested by three LeuT-SSRI structures.
Nat.Struct.Mol.Biol., 16, 2009
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3GWV
 | | Leucine transporter LeuT in complex with R-fluoxetine | | Descriptor: | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, LEUCINE, SODIUM ION, ... | | Authors: | Zhou, Z, Zhen, J, Karpowich, N.K, Law, C.J, Reith, M.E.A, Wang, D.N. | | Deposit date: | 2009-04-01 | | Release date: | 2009-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Antidepressant specificity of serotonin transporter suggested by three LeuT-SSRI structures.
Nat.Struct.Mol.Biol., 16, 2009
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3GWU
 | | Leucine transporter LeuT in complex with sertraline | | Descriptor: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, LEUCINE, SODIUM ION, ... | | Authors: | Zhou, Z, Zhen, J, Karpowich, N.K, Law, C.J, Reith, M.E.A, Wang, D.N. | | Deposit date: | 2009-04-01 | | Release date: | 2009-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Antidepressant specificity of serotonin transporter suggested by three LeuT-SSRI structures.
Nat.Struct.Mol.Biol., 16, 2009
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8SE5
 | | NKG2D complexed with inhibitor 14 | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{(1S)-2-[(1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, ... | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2023-04-08 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).
Bioorg.Med.Chem.Lett., 96, 2023
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8SE6
 | | NKG2D complexed with inhibitor 36 | | Descriptor: | N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, TETRAETHYLENE GLYCOL, ... | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2023-04-08 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).
Bioorg.Med.Chem.Lett., 96, 2023
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8EA6
 | | NKG2D complexed with inhibitor 3e | | Descriptor: | N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2022-08-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA5
 | | NKG2D complexed with inhibitor 1a | | Descriptor: | (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione, NKG2-D type II integral membrane protein, TRIETHYLENE GLYCOL | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2022-08-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-05-10 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA9
 | | NKG2D complexed with inhibitor 4d | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2022-08-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-05-10 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA8
 | | NKG2D complexed with inhibitor 4a | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2022-08-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA7
 | | NKG2D complexed with inhibitor 3g | | Descriptor: | (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, DI(HYDROXYETHYL)ETHER, NKG2-D type II integral membrane protein | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2022-08-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-05-10 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EAB
 | | NKG2D complexed with inhibitor 4f | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2022-08-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-05-10 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EAA
 | | NKG2D complexed with inhibitor 4e | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, ... | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2022-08-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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1N4D
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2H28
 | | Crystal structure of YeeU from E. coli. Northeast Structural Genomics target ER304 | | Descriptor: | CHLORIDE ION, GLYCEROL, Hypothetical protein yeeU, ... | | Authors: | Arbing, M, Su, M, Benach, J, Karpowich, N.K, Jiang, M, Xiao, R, Cunningham, K, Ma, L.-C, Chen, C.X, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-05-18 | | Release date: | 2006-07-18 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
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7JSJ
 | | Structure of the NaCT-PF2 complex | | Descriptor: | (2R)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ... | | Authors: | Sauer, D.B, Wang, B, Song, J, Rice, W.J, Wang, D.N. | | Deposit date: | 2020-08-14 | | Release date: | 2021-02-24 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Structure and inhibition mechanism of the human citrate transporter NaCT.
Nature, 591, 2021
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7JSK
 | | Structure of the NaCT-Citrate complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, SODIUM ION, ... | | Authors: | Sauer, D.B, Wang, B, Song, J, Rice, W.J, Wang, D.N. | | Deposit date: | 2020-08-14 | | Release date: | 2021-02-24 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Structure and inhibition mechanism of the human citrate transporter NaCT.
Nature, 591, 2021
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