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1QU2
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BU of 1qu2 by Molmil
INSIGHTS INTO EDITING FROM AN ILE-TRNA SYNTHETASE STRUCTURE WITH TRNA(ILE) AND MUPIROCIN
Descriptor: ISOLEUCYL-TRNA, ISOLEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, ...
Authors:Silvian, L.F, Wang, J, Steitz, T.A.
Deposit date:1999-07-06
Release date:1999-08-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights into editing from an ile-tRNA synthetase structure with tRNAile and mupirocin.
Science, 285, 1999
1QU3
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BU of 1qu3 by Molmil
INSIGHTS INTO EDITING FROM AN ILE-TRNA SYNTHETASE STRUCTURE WITH TRNA(ILE) AND MUPIROCIN
Descriptor: ISOLEUCYL-TRNA, ISOLEUCYL-TRNA SYNTHETASE, MUPIROCIN, ...
Authors:Silvian, L.F, Wang, J, Steitz, T.A.
Deposit date:1999-07-06
Release date:1999-08-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insights into editing from an ile-tRNA synthetase structure with tRNAile and mupirocin.
Science, 285, 1999
1FFY
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BU of 1ffy by Molmil
INSIGHTS INTO EDITING FROM AN ILE-TRNA SYNTHETASE STRUCTURE WITH TRNA(ILE) AND MUPIROCIN
Descriptor: ISOLEUCYL-TRNA, ISOLEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, ...
Authors:Silvian, L.F, Wang, J, Steitz, T.A.
Deposit date:2000-07-26
Release date:2000-08-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights into editing from an ile-tRNA synthetase structure with tRNAile and mupirocin.
Science, 285, 1999
3LKJ
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BU of 3lkj by Molmil
Small Molecule Inhibition of the TNF Family Cyokine CD40 Ligand Through a Subunit Fracture Mechanism
Descriptor: (2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CD40 ligand
Authors:Silvian, L.F, Whitty, A.
Deposit date:2010-01-27
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Small Molecule Inhibition of the TNF Family Cytokine CD40 Ligand through a Subunit Fracture Mechanism.
Acs Chem.Biol., 6, 2011
1K1Q
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BU of 1k1q by Molmil
Crystal Structure of a DinB Family Error Prone DNA Polymerase from Sulfolobus solfataricus
Descriptor: DBH protein
Authors:Silvian, L.F, Toth, E.A, Pham, P, Goodman, M.F, Ellenberger, T.
Deposit date:2001-09-25
Release date:2001-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a DinB family error-prone DNA polymerase from Sulfolobus solfataricus.
Nat.Struct.Biol., 8, 2001
1K1S
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BU of 1k1s by Molmil
Crystal Structure of DinB from Sulfolobus solfataricus
Descriptor: DBH protein
Authors:Silvian, L.F, Toth, E.A, Pham, P, Goodman, M.F, Ellenberger, T.
Deposit date:2001-09-25
Release date:2001-10-31
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a DinB family error-prone DNA polymerase from Sulfolobus solfataricus.
Nat.Struct.Biol., 8, 2001
5J5T
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BU of 5j5t by Molmil
GLK co-crystal structure with aminopyrrolopyrimidine inhibitor
Descriptor: 5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine, Mitogen-activated protein kinase kinase kinase kinase 3
Authors:Silvian, L.F, Marcotte, D.
Deposit date:2016-04-03
Release date:2016-10-26
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Germinal-center kinase-like kinase co-crystal structure reveals a swapped activation loop and C-terminal extension.
Protein Sci., 26, 2017
3GEN
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BU of 3gen by Molmil
The 1.6 A crystal structure of human bruton's tyrosine kinase bound to a pyrrolopyrimidine-containing compound
Descriptor: 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane, Tyrosine-protein kinase BTK
Authors:Marcotte, D.J, Liu, Y.T, Arduini, R.M, Hession, C.A, Miatkowski, K, Wildes, C.P, Cullen, P.F, Hopkins, B, Mertsching, E, Jenkins, T.J, Romanowski, M.J, Baker, D.P, Silvian, L.F.
Deposit date:2009-02-25
Release date:2010-01-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of human Bruton's tyrosine kinase in active and inactive conformations suggest a mechanism of activation for TEC family kinases.
Protein Sci., 19, 2010
1QTQ
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BU of 1qtq by Molmil
GLUTAMINYL-TRNA SYNTHETASE COMPLEXED WITH TRNA AND AN AMINO ACID ANALOG
Descriptor: 5'-O-[N-(L-GLUTAMINYL)-SULFAMOYL]ADENOSINE, PROTEIN (GLUTAMINYL-TRNA SYNTHETASE), RNA (TRNA GLN II ), ...
Authors:Rath, V.L, Silvian, L.F, Beijer, B, Sproat, B.S, Steitz, T.A.
Deposit date:1998-01-28
Release date:1998-05-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:How glutaminyl-tRNA synthetase selects glutamine.
Structure, 6, 1998
3K54
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BU of 3k54 by Molmil
Structures of human Bruton's tyrosine kinase in active and inactive conformations suggests a mechanism of activation for TEC family kinases.
Descriptor: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase BTK
Authors:Marcotte, D.J, Liu, Y.-T, Arduini, R.M, Hession, C.A, Miatkowski, K, Wildes, C.P, Cullen, P.F, Hopkins, B.T, Mertsching, E, Jenkins, T.J, Romanowski, M.J, Baker, D.P, Silvian, L.F.
Deposit date:2009-10-06
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of human Bruton's tyrosine kinase in active and inactive conformations suggest a mechanism of activation for TEC family kinases.
Protein Sci., 19, 2010
3E2M
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BU of 3e2m by Molmil
LFA-1 I domain bound to inhibitors
Descriptor: Integrin alpha-L, cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid
Authors:Silvian, L.F.
Deposit date:2008-08-05
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3BQN
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BU of 3bqn by Molmil
LFA-1 I domain bound to inhibitors
Descriptor: 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine, Integrin alpha-L
Authors:Silvian, L.F.
Deposit date:2007-12-20
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3BRV
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BU of 3brv by Molmil
NEMO/IKKb association domain structure
Descriptor: Inhibitor of nuclear factor kappa-B kinase subunit beta, NF-kappa-B essential modulator
Authors:Silvian, L.F.
Deposit date:2007-12-21
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a NEMO/IKK-Associating Domain Reveals Architecture of the Interaction Site.
Structure, 16, 2008
3BQM
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BU of 3bqm by Molmil
LFA-1 I domain bound to inhibitors
Descriptor: 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline, Integrin alpha-L
Authors:Silvian, L.F.
Deposit date:2007-12-20
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design and synthesis of a series of meta aniline-based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3BRT
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BU of 3brt by Molmil
NEMO/IKK association domain structure
Descriptor: Inhibitor of nuclear factor kappa-B kinase subunit beta,Inhibitor of nuclear factor kappa-B kinase subunit alpha, NF-kappa-B essential modulator
Authors:Silvian, L.F.
Deposit date:2007-12-21
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of a NEMO/IKK-Associating Domain Reveals Architecture of the Interaction Site.
Structure, 16, 2008
3KJ4
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BU of 3kj4 by Molmil
Structure of rat Nogo receptor bound to 1D9 antagonist antibody
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab fragment 1D9 heavy chain, ...
Authors:Silvian, L.F.
Deposit date:2009-11-02
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Resolution of disulfide heterogeneity in Nogo receptor 1 fusion proteins by molecular engineering.
Biotechnol Appl Biochem, 57, 2010
3KYM
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BU of 3kym by Molmil
Crystal structure of Li33 IgG2 di-Fab
Descriptor: Heavy Chain Li33 IgG2, Light Chain Li33 IgG2
Authors:Silvian, L.F, Pepinsky, R.B, Walus, L.
Deposit date:2009-12-06
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Improving the solubility of anti-LINGO-1 monoclonal antibody Li33 by isotype switching and targeted mutagenesis.
Protein Sci., 19, 2010
3KYK
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BU of 3kyk by Molmil
Crystal structure of li33 Igg1 Fab
Descriptor: Heavy Chain Li33 IgG1, Light Chain Li33 IgG1, SULFATE ION
Authors:Silvian, L.F, Pepinsky, R.B, Walus, L.
Deposit date:2009-12-06
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Improving the solubility of anti-LINGO-1 monoclonal antibody Li33 by isotype switching and targeted mutagenesis.
Protein Sci., 19, 2010
4X7Q
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BU of 4x7q by Molmil
PIM2 kinase in complex with Compound 1s
Descriptor: 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-2
Authors:Marcotte, D.J, Silvian, L.F.
Deposit date:2014-12-09
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure-based design of low-nanomolar PIM kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4XHK
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BU of 4xhk by Molmil
PIM1 kinase in complex with Compound 1s
Descriptor: 2-(2,6-difluorophenyl)-N-{4-[(3S)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Marcotte, D.J, Silvian, L.F.
Deposit date:2015-01-05
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design of low-nanomolar PIM kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8FLG
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BU of 8flg by Molmil
Bruton's tyrosine kinase in complex with an orthosteric inhibitor
Descriptor: DIMETHYL SULFOXIDE, N~2~-(3-chlorophenyl)-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]glycinamide, Tyrosine-protein kinase BTK
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2022-12-21
Release date:2023-03-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model.
Bioorg.Med.Chem.Lett., 80, 2023
8FLH
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BU of 8flh by Molmil
Bruton's tyrosine kinase in complex with an orthosteric inhibitor
Descriptor: 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2022-12-21
Release date:2023-03-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model.
Bioorg.Med.Chem.Lett., 80, 2023
8FLV
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BU of 8flv by Molmil
Bruton's tyrosine kinase in complex with compound 34
Descriptor: 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2022-12-22
Release date:2023-04-05
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model.
Bioorg.Med.Chem.Lett., 80, 2023
6AR4
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BU of 6ar4 by Molmil
Crystal structure of PICK1 in complex with the small molecule inhibitor 1o
Descriptor: N-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-L-alanine, PRKCA-binding protein
Authors:Marcotte, D.
Deposit date:2017-08-21
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Potent PDZ-Domain PICK1 Inhibitors that Modulate Amyloid Beta-Mediated Synaptic Dysfunction.
Sci Rep, 8, 2018
6BJO
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BU of 6bjo by Molmil
PICK1 PDZ domain in complex with the small molecule inhibitor BIO124.
Descriptor: (2S)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-L-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid, PRKCA-binding protein
Authors:Marcotte, D.J.
Deposit date:2017-11-06
Release date:2018-01-10
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Lock and chop: A novel method for the generation of a PICK1 PDZ domain and piperidine-based inhibitor co-crystal structure.
Protein Sci., 27, 2018

 

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