5AY7
 
 | | A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase | | Descriptor: | xylanase | | Authors: | Zheng, Y, Li, Y, Liu, W, Guo, R.T. | | Deposit date: | 2015-08-10 | | Release date: | 2016-02-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase.
J.Struct.Biol., 193, 2016
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8QZQ
 | | Single particle cryo-EM co-structure of E. coli AcrB with bound BDM91531 inhibitor | | Descriptor: | Multidrug efflux pump subunit AcrB, [(2~{R})-1-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-undecanoyloxy-propan-2-yl] tricosanoate, [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine | | Authors: | Boernsen, C, Mueller, R.T, Pos, K.M, Frangakis, A.S. | | Deposit date: | 2023-10-29 | | Release date: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Single particle cryo-EM co-structure of E. coli AcrB with bound BDM91531 inhibitor at 3.23 A resolution
To be published
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8QZT
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8QZL
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8SQX
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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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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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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: | 2024-10-09 | | 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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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: | 2024-11-13 | | 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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5TXR
 | | Structure of ALAS from S. cerevisiae non-covalently bound to PLP cofactor | | Descriptor: | 5-aminolevulinate synthase, mitochondrial, FORMIC ACID, ... | | Authors: | Brown, B.L, Grant, R.A, Kardon, J.R, Sauer, R.T, Baker, T.A. | | Deposit date: | 2016-11-17 | | Release date: | 2018-03-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the Mitochondrial Aminolevulinic Acid Synthase, a Key Heme Biosynthetic Enzyme.
Structure, 26, 2018
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5U4C
 | | Wild-type Transthyretin in complex with 3-[(1E)-2-(4-Boronic acid)ethenyl]benzoic Acid | | Descriptor: | 3-[(E)-2-(4-boronophenyl)ethenyl]benzoic acid, Transthyretin | | Authors: | Windsor, I.W, Smith, T.P, Raines, R.T, Forest, K.T. | | Deposit date: | 2016-12-03 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
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5U48
 | | Wild-type Transthyretin in complex with 5-[(1E)-2-(4-Boronic acid)ethenyl]-1,3-benzenediol | | Descriptor: | Transthyretin, {4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid | | Authors: | Windsor, I.W, Smith, T.P, Raines, R.T, Forest, K.T. | | Deposit date: | 2016-12-03 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
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5U4F
 | | Wild-type Transthyretin in complex with 1,1'-(1E)-(1,2-Ethenediyl)bis[2-chloro-4-boronic acid]benzene | | Descriptor: | Transthyretin, [(E)-ethene-1,2-diylbis(3-chloro-4,1-phenylene)]diboronic acid | | Authors: | Windsor, I.W, Smith, T.P, Raines, R.T, Forest, K.T. | | Deposit date: | 2016-12-03 | | Release date: | 2017-09-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
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5U4A
 | | Wild-type Transthyretin in complex with 5-[(1E)-2-(2-Chloro-4-boronic acid)ethenyl]-1,3-benzenediol | | Descriptor: | Transthyretin, {3-chloro-4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid | | Authors: | Windsor, I.W, Smith, T.P, Raines, R.T, Forest, K.T. | | Deposit date: | 2016-12-03 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
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5U4G
 | | Wild-type Transthyretin in complex with 2-Boronic Acid-1-[(1E)-2-(3-boronic acid)ethenyl]-4-chlorobenzene | | Descriptor: | (3-{(E)-2-[2-chloro-4-(hydroxyboranyl)phenyl]ethenyl}phenyl)boronic acid, Transthyretin | | Authors: | Windsor, I.W, Smith, T.P, Raines, R.T, Forest, K.T. | | Deposit date: | 2016-12-03 | | Release date: | 2017-09-27 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
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5U4B
 | | Wild-type Transthyretin in complex with 3-[(1E)-2-(4-Hydroxyphenyl)ethenyl]benzoic Acid | | Descriptor: | 3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid, Transthyretin | | Authors: | Windsor, I.W, Smith, T.P, Raines, R.T, Forest, K.T. | | Deposit date: | 2016-12-03 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.448 Å) | | Cite: | Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
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5TXT
 | | Structure of asymmetric apo/holo ALAS dimer from S. cerevisiae | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 5-aminolevulinate synthase, mitochondrial, ... | | Authors: | Brown, B.L, Grant, R.A, Kardon, J.R, Sauer, R.T, Baker, T.A. | | Deposit date: | 2016-11-17 | | Release date: | 2018-03-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Mitochondrial Aminolevulinic Acid Synthase, a Key Heme Biosynthetic Enzyme.
Structure, 26, 2018
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1VWN
 | | STREPTAVIDIN-CYCLO-AC-[CHPQFC]-NH2, PH 4.8 | | Descriptor: | PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN | | Authors: | Katz, B.A, Cass, R.T. | | Deposit date: | 1997-03-03 | | Release date: | 1998-03-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
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1VG4
 | | Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima F132A/L128A mutant | | Descriptor: | octoprenyl-diphosphate synthase | | Authors: | Guo, R.T, Kuo, C.J, Ko, T.P, Chou, C.C, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2004-04-23 | | Release date: | 2004-05-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A molecular ruler for chain elongation catalyzed by octaprenyl pyrophosphate synthase and its structure-based engineering to produce unprecedented long chain trans-prenyl products
Biochemistry, 43, 2004
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1VWD
 | | STREPTAVIDIN-CYCLO-AC-[CHPQFC]-NH2, PH 3.0 | | Descriptor: | PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN | | Authors: | Katz, B.A, Cass, R.T. | | Deposit date: | 1997-03-03 | | Release date: | 1998-03-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
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1VWP
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1VWJ
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1VWC
 | | STREPTAVIDIN-CYCLO-AC-[CHPQFC]-NH2, PH 2.0 | | Descriptor: | PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN | | Authors: | Katz, B.A, Cass, R.T. | | Deposit date: | 1997-03-03 | | Release date: | 1998-03-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
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1VG3
 | | Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima A76Y/S77F mutant | | Descriptor: | SULFATE ION, octoprenyl-diphosphate synthase | | Authors: | Guo, R.T, Kuo, C.J, Ko, T.P, Chou, C.C, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2004-04-23 | | Release date: | 2004-05-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A molecular ruler for chain elongation catalyzed by octaprenyl pyrophosphate synthase and its structure-based engineering to produce unprecedented long chain trans-prenyl products
Biochemistry, 43, 2004
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1VG7
 | | Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima F132A/L128A/I123A/D62A mutant | | Descriptor: | octoprenyl-diphosphate synthase | | Authors: | Guo, R.T, Kuo, C.J, Ko, T.P, Chou, C.C, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2004-04-23 | | Release date: | 2004-05-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | A molecular ruler for chain elongation catalyzed by octaprenyl pyrophosphate synthase and its structure-based engineering to produce unprecedented long chain trans-prenyl products
Biochemistry, 43, 2004
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