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7R2V
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BU of 7r2v by Molmil
Structure of nsp14 from SARS-CoV-2 in complex with SAH
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Proofreading exoribonuclease nsp14, ...
Authors:Czarna, A, Plewka, J, Kresik, L, Matsuda, A, Abdulkarim, K, Robinson, C, OByrne, S, Cunningham, F, Georgiou, I, Pachota, M, Popowicz, G.M, Wyatt, P.G, Dubin, G, Pyrc, K.
Deposit date:2022-02-06
Release date:2022-03-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity.
Structure, 30, 2022
1VAZ
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BU of 1vaz by Molmil
Solution structures of the p47 SEP domain
Descriptor: NSFL1 cofactor p47
Authors:Yuan, X, Simpson, P, Mckeown, C, Kondo, H, Uchiyama, K, Wallis, R, Dreveny, I, Keetch, C, Zhang, X, Robinson, C, Freemont, P, Matthews, S.
Deposit date:2004-02-20
Release date:2004-04-06
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure, dynamics and interactions of p47, a major adaptor of the AAA ATPase, p97.
Embo J., 23, 2004
1V92
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BU of 1v92 by Molmil
Solution structure of the UBA domain from p47, a major cofactor of the AAA ATPase p97
Descriptor: NSFL1 cofactor p47
Authors:Yuan, X, Simpson, P, Mckeown, C, Kondo, H, Uchiyama, K, Wallis, R, Dreveny, I, Keetch, C, Zhang, X, Robinson, C, Freemont, P, Matthews, S.
Deposit date:2004-01-19
Release date:2004-04-06
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure, dynamics and interactions of p47, a major adaptor of the AAA ATPase, p97
Embo J., 23, 2004
1NHN
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BU of 1nhn by Molmil
THE STRUCTURE OF THE HMG BOX AND ITS INTERACTION WITH DNA
Descriptor: HIGH MOBILITY GROUP PROTEIN 1
Authors:Read, C.M, Cary, P.D, Crane-Robinson, C, Driscoll, P.C, Carillo, M.O.M, Norman, D.G.
Deposit date:1994-11-17
Release date:1995-02-07
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The Structure of the Hmg Box and its Interaction with DNA
NUCLEIC ACIDS MOL.BIOL., 9, 1995
1NHM
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BU of 1nhm by Molmil
THE STRUCTURE OF THE HMG BOX AND ITS INTERACTION WITH DNA
Descriptor: HIGH MOBILITY GROUP PROTEIN 1
Authors:Read, C.M, Cary, P.D, Crane-Robinson, C, Driscoll, P.C, Carillo, M.O.M, Norman, D.G.
Deposit date:1994-11-17
Release date:1995-02-07
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The Structure of the Hmg Box and its Interaction with DNA
NUCLEIC ACIDS MOL.BIOL., 9, 1995
1HSN
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BU of 1hsn by Molmil
THE STRUCTURE OF THE HMG BOX AND ITS INTERACTION WITH DNA
Descriptor: BETA-MERCAPTOETHANOL, HIGH MOBILITY GROUP PROTEIN 1
Authors:Read, C.M, Cary, P.D, Crane-Robinson, C, Driscoll, P.C, Carillo, M.O.M, Norman, D.G.
Deposit date:1994-11-17
Release date:1995-02-07
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The Structure of the Hmg Box and its Interaction with DNA
To be Published
1HSM
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BU of 1hsm by Molmil
THE STRUCTURE OF THE HMG BOX AND ITS INTERACTION WITH DNA
Descriptor: BETA-MERCAPTOETHANOL, HIGH MOBILITY GROUP PROTEIN 1
Authors:Read, C.M, Cary, P.D, Crane-Robinson, C, Driscoll, P.C, Carillo, M.O.M, Norman, D.G.
Deposit date:1994-11-17
Release date:1995-02-07
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The Structure of the Hmg Box and its Interaction with DNA
To be Published
2VRD
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BU of 2vrd by Molmil
THE STRUCTURE OF THE ZINC FINGER FROM THE HUMAN SPLICEOSOMAL PROTEIN U1C
Descriptor: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN C, ZINC ION
Authors:Muto, Y, Pomeranz-Krummel, D, Oubridge, C, Hernandez, H, Robinson, C, Neuhaus, D, Nagai, K.
Deposit date:2008-03-31
Release date:2008-04-08
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:The Structure and Biochemical Properties of the Human Spliceosomal Protein U1C
J.Mol.Biol., 341, 2004
1I11
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BU of 1i11 by Molmil
SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN, SOX-5 HMG BOX FROM MOUSE
Descriptor: TRANSCRIPTION FACTOR SOX-5
Authors:Cary, P.D, Read, C.M, Davis, B, Driscoll, P.C, Crane-Robinson, C.
Deposit date:2001-01-30
Release date:2001-02-14
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of the DNA-binding domain of mouse Sox-5.
Protein Sci., 10, 2001
7BO7
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BU of 7bo7 by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJB44355437
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Brown, D, Robinson, C, Carr, K.H, Pande, V.
Deposit date:2021-01-24
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJB44355437
To Be Published
7ZAW
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BU of 7zaw by Molmil
GPC3-Unc5D octamer structure and role in cell migration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3
Authors:Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
Deposit date:2022-03-22
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7ZA2
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BU of 7za2 by Molmil
GPC3-Unc5D octamer structure and role in cell migration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ...
Authors:Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
Deposit date:2022-03-21
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7ZA1
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BU of 7za1 by Molmil
GPC3-Unc5D octamer structure and role in cell migration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ...
Authors:Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
Deposit date:2022-03-21
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7ZA3
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BU of 7za3 by Molmil
GPC3-Unc5D octamer structure and role in cell migration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ...
Authors:Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
Deposit date:2022-03-21
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4 Å)
Cite:GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7ZAV
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BU of 7zav by Molmil
GPC3-Unc5D octamer structure and role in cell migration
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3
Authors:Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
Deposit date:2022-03-22
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
7AEG
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BU of 7aeg by Molmil
SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide
Authors:Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A.
Deposit date:2020-09-17
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
7AEH
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BU of 7aeh by Molmil
SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1
Descriptor: (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A.
Deposit date:2020-09-17
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
6N77
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BU of 6n77 by Molmil
Structure of the human JAK1 kinase domain with compound 15
Descriptor: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7D
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BU of 6n7d by Molmil
Structure of the human JAK1 kinase domain with compound 54
Descriptor: GLYCEROL, N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
4M14
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BU of 4m14 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M15
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BU of 4m15 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] and ADP
Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Y
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BU of 4m0y by Molmil
Crystal structure of ITK in complex with compound 1 [4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M13
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BU of 4m13 by Molmil
Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M12
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BU of 4m12 by Molmil
Crystal structure of ITK in complex with compound 7 [4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Z
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BU of 4m0z by Molmil
Crystal structure of ITK in complex with compound 5 {4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide}
Descriptor: 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014

 

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