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1TQL
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BU of 1tql by Molmil
POLIOVIRUS POLYMERASE G1A MUTANT
Descriptor: ACETIC ACID, RNA-directed RNA polymerase
Authors:Thompson, A.A, Peersen, O.B.
Deposit date:2004-06-17
Release date:2004-08-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for proteolysis-dependent activation of the poliovirus RNA-dependent RNA polymerase
Embo J., 23, 2004
8EA6
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BU of 8ea6 by Molmil
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
8EA5
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BU of 8ea5 by Molmil
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
8EA9
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BU of 8ea9 by Molmil
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
8EAA
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BU of 8eaa by Molmil
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
8EA8
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BU of 8ea8 by Molmil
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
8EAB
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BU of 8eab by Molmil
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
8EA7
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BU of 8ea7 by Molmil
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
1RA7
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BU of 1ra7 by Molmil
Poliovirus Polymerase with GTP
Descriptor: ACETIC ACID, GUANOSINE-5'-TRIPHOSPHATE, Genome polyprotein
Authors:Thompson, A.A, Peersen, O.B.
Deposit date:2003-10-31
Release date:2004-08-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for proteolysis-dependent activation of the poliovirus RNA-dependent RNA polymerase.
Embo J., 23, 2004
1RAJ
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BU of 1raj by Molmil
Poliovirus Polymerase with a 68 residue N-terminal truncation
Descriptor: Genome polyprotein
Authors:Thompson, A.A, Peersen, O.B.
Deposit date:2003-10-31
Release date:2004-08-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for proteolysis-dependent activation of the poliovirus RNA-dependent RNA polymerase.
Embo J., 23, 2004
1RA6
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BU of 1ra6 by Molmil
Poliovirus Polymerase Full Length Apo Structure
Descriptor: ACETIC ACID, Genome polyprotein
Authors:Thompson, A.A, Peersen, O.B.
Deposit date:2003-10-31
Release date:2004-08-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for proteolysis-dependent activation of the poliovirus RNA-dependent RNA polymerase.
Embo J., 23, 2004
2ILZ
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BU of 2ilz by Molmil
Crystal structure of poliovirus polymerase complexed with GTP and Mn2+
Descriptor: ACETIC ACID, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Thompson, A.A, Peersen, O.B.
Deposit date:2006-10-03
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Stabilization of Poliovirus Polymerase by NTP Binding and Fingers-Thumb Interactions.
J.Mol.Biol., 366, 2007
2IM0
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BU of 2im0 by Molmil
Crystal structure of poliovirus polymerase complexed with CTP and Mg2+
Descriptor: ACETIC ACID, CYTIDINE-5'-TRIPHOSPHATE, SODIUM ION, ...
Authors:Thompson, A.A, Peersen, O.B.
Deposit date:2006-10-03
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Stabilization of Poliovirus Polymerase by NTP Binding and Fingers-Thumb Interactions.
J.Mol.Biol., 366, 2007
2IM1
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BU of 2im1 by Molmil
Crystal structure of poliovirus polymerase complexed with CTP and Mn2+
Descriptor: ACETIC ACID, CYTIDINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Thompson, A.A, Peersen, O.B.
Deposit date:2006-10-03
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Stabilization of Poliovirus Polymerase by NTP Binding and Fingers-Thumb Interactions.
J.Mol.Biol., 366, 2007
2IM3
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BU of 2im3 by Molmil
Crystal structure of poliovirus polymerase complexed with UTP and Mn2+
Descriptor: ACETIC ACID, MANGANESE (II) ION, SODIUM ION, ...
Authors:Thompson, A.A, Peersen, O.B.
Deposit date:2006-10-03
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Stabilization of Poliovirus Polymerase by NTP Binding and Fingers-Thumb Interactions.
J.Mol.Biol., 366, 2007
2IM2
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BU of 2im2 by Molmil
Crystal structure of poliovirus polymerase complexed with UTP and Mg2+
Descriptor: ACETIC ACID, SODIUM ION, URIDINE 5'-TRIPHOSPHATE, ...
Authors:Thompson, A.A, Peersen, O.B.
Deposit date:2006-10-03
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Stabilization of Poliovirus Polymerase by NTP Binding and Fingers-Thumb Interactions.
J.Mol.Biol., 366, 2007
2ILY
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BU of 2ily by Molmil
Crystal structure of poliovirus polymerase complexed with ATP and Mg2+
Descriptor: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Poliovirus polymerase, ...
Authors:Thompson, A.A, Peersen, O.B.
Deposit date:2006-10-03
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Stabilization of Poliovirus Polymerase by NTP Binding and Fingers-Thumb Interactions.
J.Mol.Biol., 366, 2007
3QIY
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BU of 3qiy by Molmil
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-1
Descriptor: 1,2-ETHANEDIOL, 4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide, Botulinum neurotoxin type A, ...
Authors:Thompson, A.A, Han, G.W, Stevens, R.C.
Deposit date:2011-01-28
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3QJ0
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BU of 3qj0 by Molmil
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-3
Descriptor: (4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide, 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ...
Authors:Thompson, A.A, Han, G.W, Stevens, R.C.
Deposit date:2011-01-28
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3QIZ
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BU of 3qiz by Molmil
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-2
Descriptor: (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide, Botulinum neurotoxin type A, DI(HYDROXYETHYL)ETHER, ...
Authors:Thompson, A.A, Han, G.W, Stevens, R.C.
Deposit date:2011-01-28
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3QIX
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BU of 3qix by Molmil
Crystal Structure of BoNT/A LC with Zinc bound
Descriptor: 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ZINC ION
Authors:Thompson, A.A, Han, G.W, Stevens, R.C.
Deposit date:2011-01-28
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.413 Å)
Cite:Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
4EA3
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BU of 4ea3 by Molmil
Structure of the N/OFQ Opioid Receptor in Complex with a Peptide Mimetic
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide, ...
Authors:Thompson, A.A, Liu, W, Chun, E, Katritch, V, Wu, H, Vardy, E, Huang, X.P, Trapella, C, Guerrini, R, Calo, G, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2012-03-22
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.013 Å)
Cite:Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic.
Nature, 485, 2012
8SE6
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BU of 8se6 by Molmil
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
8SE5
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BU of 8se5 by Molmil
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
3EVE
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BU of 3eve by Molmil
Crystal structure of GpppA complex of yellow fever virus methyltransferase and S-adenosyl-L-homocysteine
Descriptor: GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, RNA-directed RNA polymerase NS5, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Thompson, A.A.
Deposit date:2008-10-13
Release date:2009-01-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Analysis of flavivirus NS5 methyltransferase cap binding.
J.Mol.Biol., 385, 2009

 

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