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7T8J
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BU of 7t8j by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase-1 flexibly fused to the 1TEL crystallization chaperone via a GSGG linker
Descriptor: CHLORIDE ION, Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1
Authors:Soleimani, S, Pedroza Romo, M.J, Smith, T, Brown, S, Doukov, T, Moody, J.D.
Deposit date:2021-12-16
Release date:2022-12-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
6EEM
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BU of 6eem by Molmil
Crystal structure of Papaver somniferum tyrosine decarboxylase in complex with L-tyrosine
Descriptor: N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine, SULFATE ION, TYROSINE, ...
Authors:Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K.
Deposit date:2018-08-14
Release date:2018-09-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.61000657 Å)
Cite:Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6EEQ
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BU of 6eeq by Molmil
Crystal structure of Rhodiola rosea 4-hydroxyphenylacetaldehyde synthase
Descriptor: 4-hydroxyphenylacetaldehyde synthase
Authors:Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K.
Deposit date:2018-08-15
Release date:2018-09-19
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (2.600086 Å)
Cite:Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6EEI
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BU of 6eei by Molmil
Crystal structure of Arabidopsis thaliana phenylacetaldehyde synthase in complex with L-phenylalanine
Descriptor: PHENYLALANINE, SULFATE ION, Tyrosine decarboxylase 1
Authors:Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K.
Deposit date:2018-08-14
Release date:2018-09-19
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (1.99001348 Å)
Cite:Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6EEW
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BU of 6eew by Molmil
Crystal structure of Catharanthus roseus tryptophan decarboxylase in complex with L-tryptophan
Descriptor: Aromatic-L-amino-acid decarboxylase, CALCIUM ION, TRYPTOPHAN
Authors:Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K.
Deposit date:2018-08-15
Release date:2018-09-19
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (2.05002069 Å)
Cite:Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
7U4W
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BU of 7u4w by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase-1 flexibly fused to the 1TEL crystallization chaperone via a 2-glycine linker and crystallized at traditional protein concentration
Descriptor: Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1
Authors:Nawarathnage, S, Pedroza Romo, M.J, Smith, T, Bunn, D, Stewart, C, Doukov, T, Moody, J.D.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
7U4Z
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BU of 7u4z by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase-1 flexibly fused to the 1TEL crystallization chaperone via a 2-glycine linker and crystallized at very low protein concentration
Descriptor: POTASSIUM ION, Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1
Authors:Nawarathnage, S, Smith, T, Moody, J.D.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
1KPT
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BU of 1kpt by Molmil
STRUCTURE AND FUNCTION OF A VIRALLY ENCODED FUNGAL TOXIN FROM USTILAGO MAYDIS: A FUNGAL AND MAMMALIAN CALCIUM CHANNEL INHIBITOR
Descriptor: KP4 TOXIN
Authors:Gu, F, Smith, T.
Deposit date:1995-06-06
Release date:1995-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and function of a virally encoded fungal toxin from Ustilago maydis: a fungal and mammalian Ca2+ channel inhibitor.
Structure, 3, 1995
4AUA
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BU of 4aua by Molmil
Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6)
Descriptor: 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6
Authors:Cho, Y.S, Angove, H, Brain, C, Chen, C.H.T, Cheng, R, Chopra, R, Chung, K, Congreve, M, Dagostin, C, Davis, D, Feltell, R, Giraldes, J, Hiscock, S, Kim, S, Kovats, S, Lagu, B, Lewry, K, Loo, A, Lu, Y, Luzzio, M, Maniara, W, Mcmenamin, R, Mortenson, P, Benning, R, O'Reilly, M, Rees, D, Shen, J, Smith, T, Wang, Y, Williams, G, Woolford, A, Wrona, W, Xu, M, Yang, F, Howard, S.
Deposit date:2012-05-15
Release date:2013-02-06
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
4GVB
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BU of 4gvb by Molmil
Crystal structure of the virally encoded antifungal protein, KP6, heterodimer
Descriptor: KP6 killer toxin subunit alpha, KP6 killer toxin subunit beta
Authors:Smith, T.
Deposit date:2012-08-30
Release date:2012-12-19
Last modified:2013-02-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Atomic Structure of the Virally Encoded Antifungal Protein, KP6.
J.Mol.Biol., 425, 2013
4LLF
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BU of 4llf by Molmil
Crystal structure of Cucumber Necrosis Virus
Descriptor: CALCIUM ION, Capsid protein, ZINC ION
Authors:Smith, T.
Deposit date:2013-07-09
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8891 Å)
Cite:Atomic structure of cucumber necrosis virus and the role of the capsid in vector transmission.
J.Virol., 87, 2013
4NCC
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BU of 4ncc by Molmil
Neutralizing antibody to murine norovirus
Descriptor: Fab fragment heavy, Fab fragment light
Authors:Smith, T, Li, M.
Deposit date:2013-10-24
Release date:2014-02-19
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Flexibility in surface-exposed loops in a virus capsid mediates escape from antibody neutralization.
J.Virol., 88, 2014
4Q1D
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BU of 4q1d by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 9 {2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine}
Descriptor: (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q1B
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BU of 4q1b by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 7 {N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide}
Descriptor: Deoxycytidine kinase, N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q19
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BU of 4q19 by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 5 {5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL)SULFANYL]METHYL}-5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOL}
Descriptor: 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q18
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BU of 4q18 by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 4 [1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol]
Descriptor: 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
7TDY
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BU of 7tdy by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase 1, flexibly fused to the 1TEL crystallization chaperone via a 2-glycine linker and crystallized at low protein concentration
Descriptor: FORMIC ACID, Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1
Authors:Nawarathnage, S, Bunn, D.R, Stewart, C, Doukev, T, Moody, J.D.
Deposit date:2022-01-03
Release date:2023-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
6EG3
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BU of 6eg3 by Molmil
Crystal structure of human BRM in complex with compound 15
Descriptor: 3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid, ETHANOL, Maltose/maltodextrin-binding periplasmic protein,Probable global transcription activator SNF2L2
Authors:Zhu, X, Kulathila, R, Hu, T, Xie, X.
Deposit date:2018-08-17
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Discovery of Orally Active Inhibitors of Brahma Homolog (BRM)/SMARCA2 ATPase Activity for the Treatment of Brahma Related Gene 1 (BRG1)/SMARCA4-Mutant Cancers.
J. Med. Chem., 61, 2018
6EG2
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BU of 6eg2 by Molmil
Crystal structure of human BRM in complex with compound 16
Descriptor: ISOPROPYL ALCOHOL, Maltose/maltodextrin-binding periplasmic protein,Probable global transcription activator SNF2L2, N-(5-amino-2-chloropyridin-4-yl)-N'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea
Authors:Zhu, X, Kulathila, R, Hu, T, Xie, X.
Deposit date:2018-08-17
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Discovery of Orally Active Inhibitors of Brahma Homolog (BRM)/SMARCA2 ATPase Activity for the Treatment of Brahma Related Gene 1 (BRG1)/SMARCA4-Mutant Cancers.
J. Med. Chem., 61, 2018
7TCY
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BU of 7tcy by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase I
Descriptor: CHLORIDE ION, FORMIC ACID, MAGNESIUM ION, ...
Authors:Nawarathnage, S, Bunn, R.D, Stewart, C, Doukov, T, Moody, J.D.
Deposit date:2021-12-29
Release date:2023-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
7N2B
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BU of 7n2b by Molmil
A DARPin semi-rigidly fused to the 3TEL crystallization chaperone
Descriptor: Transcription factor ETV6,Transcription factor ETV6,Transcription factor ETV6,3TEL-rigid-DARPin
Authors:Sarath Nawarathange, S.D, Gajjar, P, Bunn, D, Stewart, C, Doukov, T, Moody, J.D.
Deposit date:2021-05-28
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.221 Å)
Cite:Crystals of TELSAM-target protein fusions that exhibit minimal crystal contacts and lack direct inter-TELSAM contacts.
Open Biology, 12, 2022
7N1O
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BU of 7n1o by Molmil
The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone
Descriptor: CHLORIDE ION, MAGNESIUM ION, Transcription factor ETV6,Isoform 4 of Anthrax toxin receptor 2
Authors:Mathis, M.H, Bezzant, B.D, Ramirez, D.T, Sarath Nawarathnage, S.D, Doukov, T, Moody, J.D.
Deposit date:2021-05-27
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Crystals of TELSAM-target protein fusions that exhibit minimal crystal contacts and lack direct inter-TELSAM contacts.
Open Biology, 12, 2022
4EO7
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BU of 4eo7 by Molmil
Crystal structure of the TIR domain of human myeloid differentiation primary response protein 88.
Descriptor: MAGNESIUM ION, Myeloid differentiation primary response protein MyD88
Authors:Snyder, G.A, Cirl, C, Jiang, J.S, Chen, P, Smith, T, Xiao, T.S.
Deposit date:2012-04-13
Release date:2013-04-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Molecular mechanisms for the subversion of MyD88 signaling by TcpC from virulent uropathogenic Escherichia coli.
Proc.Natl.Acad.Sci.USA, 110, 2013
5TQH
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BU of 5tqh by Molmil
IDH1 R132H mutant in complex with IDH889
Descriptor: (4S)-3-[2-({(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Xie, X, Kulathila, R.
Deposit date:2016-10-24
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1.
ACS Med Chem Lett, 8, 2017
6DHM
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BU of 6dhm by Molmil
Bovine glutamate dehydrogenase complexed with zinc
Descriptor: GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ...
Authors:Smith, T.J.
Deposit date:2018-05-20
Release date:2018-07-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:A novel mechanism of V-type zinc inhibition of glutamate dehydrogenase results from disruption of subunit interactions necessary for efficient catalysis.
FEBS J., 278, 2011

 

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