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PDB: 8 results

8S98
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Crystal structure of the TYK2 pseudokinase domain in complex with compound 8
Descriptor: (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E.
Deposit date:2023-03-27
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
8S9A
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Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279
Descriptor: (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E.
Deposit date:2023-03-27
Release date:2023-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
8S99
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BU of 8s99 by Molmil
Crystal structure of the TYK2 pseudokinase domain in complex with compound 11
Descriptor: (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E.
Deposit date:2023-03-27
Release date:2023-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
7GCH
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BU of 7gch by Molmil
STRUCTURE OF CHYMOTRYPSIN-*TRIFLUOROMETHYL KETONE INHIBITOR COMPLEXES. COMPARISON OF SLOWLY AND RAPIDLY EQUILIBRATING INHIBITORS
Descriptor: 1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE), GAMMA-CHYMOTRYPSIN A
Authors:Brady, K, Ringe, D, Abeles, R.H.
Deposit date:1990-04-06
Release date:1990-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of chymotrypsin-trifluoromethyl ketone inhibitor complexes: comparison of slowly and rapidly equilibrating inhibitors.
Biochemistry, 29, 1990
6GCH
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BU of 6gch by Molmil
STRUCTURE OF CHYMOTRYPSIN-*TRIFLUOROMETHYL KETONE INHIBITOR COMPLEXES. COMPARISON OF SLOWLY AND RAPIDLY EQUILIBRATING INHIBITORS
Descriptor: 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE), GAMMA-CHYMOTRYPSIN A
Authors:Brady, K, Wei, A, Ringe, D, Abeles, R.H.
Deposit date:1990-04-06
Release date:1990-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of chymotrypsin-trifluoromethyl ketone inhibitor complexes: comparison of slowly and rapidly equilibrating inhibitors.
Biochemistry, 29, 1990
2GMT
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THREE-DIMENSIONAL STRUCTURE OF CHYMOTRYPSIN INACTIVATED WITH (2S) N-ACETYL-L-ALANYL-L-PHENYLALANYL-CHLOROETHYL KETONE: IMPLICATIONS FOR THE MECHANISM OF INACTIVATION OF SERINE PROTEASES BY CHLOROKETONES
Descriptor: (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-CHLOROETHYLKETONE, GAMMA-CHYMOTRYPSIN
Authors:Kreutter, K, Steinmetz, A.C.U, Liang, T.-C, Prorok, M, Abeles, R, Ringe, D.
Deposit date:1994-09-07
Release date:1994-11-01
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional structure of chymotrypsin inactivated with (2S)-N-acetyl-L-alanyl-L-phenylalanyl alpha-chloroethane: implications for the mechanism of inactivation of serine proteases by chloroketones.
Biochemistry, 33, 1994
1RXT
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BU of 1rxt by Molmil
Crystal structure of human myristoyl-CoA:protein N-myristoyltransferase.
Descriptor: COBALT (II) ION, Glycylpeptide N-tetradecanoyltransferase 1, SULFATE ION
Authors:Yang, J, Wang, Y, Frey, G, Abeles, R.H, Petsko, G.A, Ringe, D.
Deposit date:2003-12-18
Release date:2005-04-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human myristoyl-CoA:protein N-myristoyltransferase
To be Published
4K8O
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BU of 4k8o by Molmil
CRYSTAL STRUCTURE OF THE ATPASE DOMAIN OF TAP1 WITH ATP (D645N, D651A MUTANT)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Antigen peptide transporter 1, CITRIC ACID, ...
Authors:Vakkasoglu, A.S, Grossmann, N, Hulpke, S, Abele, R, Tampe, R, Gaudet, R.
Deposit date:2013-04-18
Release date:2014-09-03
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mechanistic determinants of the directionality and energetics of active export by a heterodimeric ABC transporter.
Nat Commun, 5, 2014

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