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6XNP
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BU of 6xnp by Molmil
Crystal Structure of Human STING CTD complex with SR-717
Descriptor: 1,2-ETHANEDIOL, 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, GLYCEROL, ...
Authors:Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L.
Deposit date:2020-07-03
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic.
Science, 369, 2020
6XNN
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BU of 6xnn by Molmil
Crystal Structure of Mouse STING CTD complex with SR-717.
Descriptor: 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, Stimulator of interferon genes protein
Authors:Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L.
Deposit date:2020-07-03
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic.
Science, 369, 2020
1DVT
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BU of 1dvt by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH FLURBIPROFEN
Descriptor: FLURBIPROFEN, TRANSTHYRETIN
Authors:Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
Deposit date:2000-01-22
Release date:2001-01-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVY
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BU of 1dvy by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID
Descriptor: N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID, TRANSTHYRETIN
Authors:Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
Deposit date:2000-01-23
Release date:2001-01-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVU
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BU of 1dvu by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH DIBENZOFURAN-4,6-DICARBOXYLIC ACID
Descriptor: DIBENZOFURAN-4,6-DICARBOXYLIC ACID, TRANSTHYRETIN
Authors:Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
Deposit date:2000-01-22
Release date:2001-01-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVX
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BU of 1dvx by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH DICLOFENAC
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, TRANSTHYRETIN
Authors:Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
Deposit date:2000-01-23
Release date:2001-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVZ
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BU of 1dvz by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID
Descriptor: O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID, TRANSTHYRETIN
Authors:Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
Deposit date:2000-01-23
Release date:2001-01-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVQ
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BU of 1dvq by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN
Descriptor: TRANSTHYRETIN
Authors:Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
Deposit date:2000-01-22
Release date:2001-01-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVS
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BU of 1dvs by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH RESVERATROL
Descriptor: RESVERATROL, TRANSTHYRETIN
Authors:Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
Deposit date:2000-01-22
Release date:2001-01-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1GKO
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BU of 1gko by Molmil
An Engineered Transthyretin Monomer that is Non-amyloidogenic - Unless Partially Denatured
Descriptor: TRANSTHYRETIN
Authors:Jiang, X, Smith, C.S, Petrassi, H.M, Hammarstrom, P, White, J.T, Sacchettini, J.C, Kelly, J.W.
Deposit date:2001-08-17
Release date:2001-11-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Engineered Transthyretin Monomer that is Nonamyloidogenic, Unless It is Partially Denatured
Biochemistry, 40, 2001
6UIP
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BU of 6uip by Molmil
DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133.
Descriptor: 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:DiDonato, M, Spraggon, G.
Deposit date:2019-10-01
Release date:2020-03-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
3E16
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BU of 3e16 by Molmil
X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Prostasin, ...
Authors:Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
Deposit date:2008-08-01
Release date:2008-09-09
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.
Bioorg.Med.Chem.Lett., 18, 2008
3E0P
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BU of 3e0p by Molmil
The X-ray structure of Human Prostasin in complex with a covalent benzoxazole inhibitor
Descriptor: GLYCEROL, Prostasin, benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate
Authors:Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
Deposit date:2008-07-31
Release date:2008-09-09
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.
Bioorg.Med.Chem.Lett., 18, 2008
7LMQ
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BU of 7lmq by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 62 [4-methyl-3-(morpholinomethyl)-7-(1-phenylethoxy)-2H-chromen-2-one]
Descriptor: 4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{R})-1-phenylethoxy]chromen-2-one, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
7LMO
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BU of 7lmo by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 34 [3-(2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl)-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione]
Descriptor: (5~{R})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{H}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
7LMN
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BU of 7lmn by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 26 [2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl (3-(1H-imidazol-4-yl)benzyl)carbamate]
Descriptor: 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
7LMR
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BU of 7lmr by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 63 [4-methyl-3-(morpholinomethyl)-7-(2-phenylpropoxy)-2H-chromen-2-one]
Descriptor: 4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{S})-2-phenylpropoxy]chromen-2-one, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
7LMP
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BU of 7lmp by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 36 [3-(2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl)-8-(1H-imidazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione]
Descriptor: 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021

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