8S98
| 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
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8S9A
| 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
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8S99
| 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
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8SMU
| Integral fusion of the HtaA CR2 domain from Corynebacterium diphtheriae within EGFP | Descriptor: | CHLORIDE ION, GLYCEROL, HtaACR2 integral fusion within enhanced green fluorescent protein, ... | Authors: | Mahoney, B.J, Cascio, D, Clubb, R.T. | Deposit date: | 2023-04-26 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens. J.Inorg.Biochem., 249, 2023
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8SQX
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4LVX
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4RSD
| STRUCTURE OF THE D121A VARIANT OF RIBONUCLEASE A | Descriptor: | ACETATE ION, CHLORIDE ION, RIBONUCLEASE A | Authors: | Schultz, L.W, Quirk, D.J, Raines, R.T. | Deposit date: | 1998-02-05 | Release date: | 1998-07-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | His...Asp catalytic dyad of ribonuclease A: structure and function of the wild-type, D121N, and D121A enzymes. Biochemistry, 37, 1998
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4RSK
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4LVZ
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4RQZ
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4RR0
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4LVY
| Structure of the THF riboswitch bound to pemetrexed | Descriptor: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THF riboswitch | Authors: | Trausch, J.J, Batey, R.T. | Deposit date: | 2013-07-26 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch. Chem.Biol., 21, 2014
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4TSR
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4LVV
| Structure of the THF riboswitch | Descriptor: | N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, THF riboswitch | Authors: | Trausch, J.J, Batey, R.T. | Deposit date: | 2013-07-26 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch. Chem.Biol., 21, 2014
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4LW0
| Structure of the THF riboswitch bound to adenine | Descriptor: | ADENINE, THF riboswitch | Authors: | Trausch, J.J, Batey, R.T. | Deposit date: | 2013-07-26 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.889 Å) | Cite: | A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch. Chem.Biol., 21, 2014
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4RQY
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4RR1
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4U0G
| Crystal Structure of M. tuberculosis ClpP1P2 bound to ADEP and agonist | Descriptor: | ADEP-2B5Me, ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2, ... | Authors: | Schmitz, K.R, Carney, D.W, Sello, J.K, Sauer, R.T. | Deposit date: | 2014-07-11 | Release date: | 2014-10-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.1978 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis ClpP1P2 suggests a model for peptidase activation by AAA+ partner binding and substrate delivery. Proc.Natl.Acad.Sci.USA, 111, 2014
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7CWQ
| Crystal structure of a novel cutinase from Burkhoderiales bacterium RIFCSPLOWO2_02_FULL_57_36 | Descriptor: | DLH domain-containing protein, SULFATE ION | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2020-08-30 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis. Nat Catal, 4, 2021
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4U0H
| Crystal Structure of M. tuberculosis ClpP1P1 | Descriptor: | ATP-dependent Clp protease proteolytic subunit 1, SULFATE ION | Authors: | Schmitz, K.R, Carney, D.W, Sello, J.K, Sauer, R.T. | Deposit date: | 2014-07-11 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.2479 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis ClpP1P2 suggests a model for peptidase activation by AAA+ partner binding and substrate delivery. Proc.Natl.Acad.Sci.USA, 111, 2014
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7CQB
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4U5K
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4U5I
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7CY0
| Crystal structure of S185H mutant PET hydrolase from Ideonella sakaiensis | Descriptor: | ACETIC ACID, Poly(ethylene terephthalate) hydrolase | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2020-09-03 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis. Nat Catal, 4, 2021
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3L0E
| X-ray crystal structure of a Potent Liver X Receptor Modulator | Descriptor: | N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide, Nuclear receptor coactivator 2, Oxysterols receptor LXR-beta | Authors: | Gampe Jr, R.T. | Deposit date: | 2009-12-09 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of tertiary sulfonamides as potent liver X receptor antagonists. J.Med.Chem., 53, 2010
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