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3G3F
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BU of 3g3f by Molmil
Crystal structure of the GluR6 ligand binding domain dimer with glutamate and NaCl at 1.38 Angstrom resolution
Descriptor: CHLORIDE ION, GLUTAMIC ACID, Glutamate receptor, ...
Authors:Chaudhry, C, Mayer, M.L.
Deposit date:2009-02-02
Release date:2009-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Stability of ligand-binding domain dimer assembly controls kainate receptor desensitization.
Embo J., 28, 2009
3G3H
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BU of 3g3h by Molmil
Crystal structure of the GluR6 ligand binding domain dimer K665R I749L Q753K mutant with glutamate and NaCl at 1.5 Angstrom resolution
Descriptor: CHLORIDE ION, GLUTAMIC ACID, Glutamate receptor, ...
Authors:Chaudhry, C, Mayer, M.L.
Deposit date:2009-02-02
Release date:2009-06-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Stability of ligand-binding domain dimer assembly controls kainate receptor desensitization.
Embo J., 28, 2009
3G3K
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BU of 3g3k by Molmil
Crystal structure of the GluR6 ligand binding domain dimer I442H K494E K665R I749L Q753K E757Q mutant with glutamate and NaCl at 1.24 Angstrom resolution
Descriptor: CHLORIDE ION, GLUTAMIC ACID, Glutamate receptor, ...
Authors:Chaudhry, C, Mayer, M.L.
Deposit date:2009-02-02
Release date:2009-06-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Stability of ligand-binding domain dimer assembly controls kainate receptor desensitization.
Embo J., 28, 2009
3G3J
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BU of 3g3j by Molmil
Crystal structure of the GluR6 ligand binding domain dimer I442H K494E K665R I749L Q753K mutant with glutamate and NaCl at 1.32 Angstrom resolution
Descriptor: CHLORIDE ION, GLUTAMIC ACID, Glutamate receptor, ...
Authors:Chaudhry, C, Mayer, M.L.
Deposit date:2009-02-02
Release date:2009-06-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.321 Å)
Cite:Stability of ligand-binding domain dimer assembly controls kainate receptor desensitization.
Embo J., 28, 2009
3G3G
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BU of 3g3g by Molmil
Crystal structure of the GluR6 ligand binding domain dimer K665R mutant with glutamate and NaCl at 1.3 Angstrom resolution
Descriptor: CHLORIDE ION, GLUTAMIC ACID, Glutamate receptor, ...
Authors:Chaudhry, C, Mayer, M.L.
Deposit date:2009-02-02
Release date:2009-06-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.303 Å)
Cite:Stability of ligand-binding domain dimer assembly controls kainate receptor desensitization.
Embo J., 28, 2009
3G3I
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BU of 3g3i by Molmil
Crystal structure of the GluR6 ligand binding domain dimer I442H K494E I749L Q753K mutant with glutamate and NaCl at 1.37 Angstrom resolution
Descriptor: CHLORIDE ION, GLUTAMIC ACID, Glutamate receptor, ...
Authors:Chaudhry, C, Mayer, M.L.
Deposit date:2009-02-02
Release date:2009-06-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.371 Å)
Cite:Stability of ligand-binding domain dimer assembly controls kainate receptor desensitization.
Embo J., 28, 2009
1PCQ
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BU of 1pcq by Molmil
Crystal structure of groEL-groES
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
Authors:Chaudhry, C, Farr, G.W, Todd, M.J, Rye, H.S, Brunger, A.T, Adams, P.D, Horwich, A.L, Sigler, P.B.
Deposit date:2003-05-16
Release date:2003-10-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.808 Å)
Cite:Role of the gamma-phosphate of ATP in triggering protein folding by GroEL-GroES: function, structure and energetics.
Embo J., 22, 2003
1PF9
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BU of 1pf9 by Molmil
GroEL-GroES-ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, groEL protein, ...
Authors:Chaudhry, C, Farr, G.W, Todd, M.J, Rye, H.S, Brunger, A.T, Adams, P.D, Horwich, A.L, Sigler, P.B.
Deposit date:2003-05-24
Release date:2003-11-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.993 Å)
Cite:Role of the gamma-phosphate of ATP in triggering protein folding by GroEL-GroES: function, structure and energetics.
Embo J., 22, 2003
1SX3
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BU of 1sx3 by Molmil
GroEL14-(ATPgammaS)14
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, POTASSIUM ION, ...
Authors:Chaudhry, C, Horwich, A.L, Brunger, A.T, Adams, P.D.
Deposit date:2004-03-30
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploring the structural dynamics of the E.coli chaperonin GroEL using translation-libration-screw crystallographic refinement of intermediate states.
J.Mol.Biol., 342, 2004
1SX4
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BU of 1sx4 by Molmil
GroEL-GroES-ADP7
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, groEL protein, ...
Authors:Chaudhry, C, Horwich, A.L, Brunger, A.T, Adams, P.D.
Deposit date:2004-03-30
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Exploring the structural dynamics of the E.coli chaperonin GroEL using translation-libration-screw crystallographic refinement of intermediate states.
J.Mol.Biol., 342, 2004
1SS8
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BU of 1ss8 by Molmil
GroEL
Descriptor: groEL protein
Authors:Chaudhry, C, Horwich, A.L, Brunger, A.T, Adams, P.D.
Deposit date:2004-03-23
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Exploring the structural dynamics of the E.coli chaperonin GroEL using translation-libration-screw crystallographic refinement of intermediate states.
J.Mol.Biol., 342, 2004
1SVT
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BU of 1svt by Molmil
Crystal structure of GroEL14-GroES7-(ADP-AlFx)7
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
Authors:Chaudhry, C, Horwich, A.L, Brunger, A.T, Adams, P.D.
Deposit date:2004-03-29
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.808 Å)
Cite:Exploring the structural dynamics of the E.coli chaperonin GroEL using translation-libration-screw crystallographic refinement of intermediate states.
J.Mol.Biol., 342, 2004
7SSM
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BU of 7ssm by Molmil
Crystal structure of human STING R232 in complex with compound 11
Descriptor: 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein
Authors:Sack, J.S, Critton, D.A.
Deposit date:2021-11-11
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization.
J.Med.Chem., 65, 2022
7K7Q
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BU of 7k7q by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide
Descriptor: 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2020-09-23
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.
J.Med.Chem., 64, 2021
7K7O
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BU of 7k7o by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
Descriptor: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2020-09-23
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.
J.Med.Chem., 64, 2021
5TKB
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BU of 5tkb by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 4D IN COMPLEX WITH A TETRAFLUORANLINE COMPOUND
Descriptor: ETHANOL, MAGNESIUM ION, N-[(2R)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide, ...
Authors:Sack, J.S.
Deposit date:2016-10-06
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling.
Medchemcomm, 8, 2017
5TKD
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BU of 5tkd by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH 6-[(3,5-DIMETHYLPHE NYL)AMINO]-8- (METHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBO XAMIDE
Descriptor: 6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Muckelbauer, J.K.
Deposit date:2016-10-06
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling.
Medchemcomm, 8, 2017
6NSL
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BU of 6nsl by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE
Descriptor: 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Muckelbauer, J.M, Khan, J.A.
Deposit date:2019-01-25
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6NZF
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BU of 6nzf by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_5 AKA 4-[(2-CARBAMOYLPHEN YL)AMINO]-6-[(5-FLUOROPYRIDIN-2-YL)AMINO]-N-METHYLPYRIDINE -3-CARBOXAMIDE
Descriptor: 6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Muckelbauer, J.M.
Deposit date:2019-02-13
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019
6NZH
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BU of 6nzh by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_40 AKA 6-cyclopropaneamido-4-[(2-methanesulfonylphenyl)amino]-N-methylpyridine-3-carboxamide
Descriptor: 6-[(cyclopropanecarbonyl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Muckelbauer, J.M.
Deposit date:2019-02-13
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019
6NZE
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BU of 6nze by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_5 AKA 4-[(2-CARBAMOYLPHEN YL)AMINO]-6-[(5-FLUOROPYRIDIN-2-YL)AMINO]-N-METHYLPYRIDINE -3-CARBOXAMIDE
Descriptor: 4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Muckelbauer, J.M.
Deposit date:2019-02-13
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019
6NZR
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BU of 6nzr by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_12 AKA 4-[(2-methanesulfonylphenyl)amino]-N-(H3)methyl-6-[(pyridin-2- yl)amino]pyridazine-3-carboxamide
Descriptor: N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Khan, J.A.
Deposit date:2019-02-14
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6NZQ
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BU of 6nzq by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_29 AKA 6-[(5-FLUORO-4-METH YLPYRIDIN-2-YL)AMINO]-4-({2-METHOXY-3-[(PYRIDIN-2-YLMETHYL )CARBAMOYL]PHENYL}AMINO)-N-METHYLPYRIDINE-3-CARBOXAMIDE
Descriptor: 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2019-02-14
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6NZP
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BU of 6nzp by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-11 AKA 6-CYCLOPROPANEAMIDO-4-{[2-METHOXY-3-(1-METHYL-1H-1,2,4-TRI AZOL-3-YL)PHENYL]AMINO}-N-(?H?)METHYLPYRIDAZINE-3-CARBOXAMIDE
Descriptor: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, CHLORIDE ION, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2019-02-14
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6O8I
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BU of 6o8i by Molmil
BTK In Complex With Inhibitor
Descriptor: 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK
Authors:Pokross, M, Tebben, A.J, Watterson, S.H.
Deposit date:2019-03-11
Release date:2019-04-03
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK).
J. Med. Chem., 62, 2019

 

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