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3D9X
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BU of 3d9x by Molmil
Structure of the head of the Bartonella adhesin BadA
Descriptor: Adhesin A
Authors:Zeth, K, Lupas, A, Martin, J.
Deposit date:2008-05-28
Release date:2008-08-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structure of the head of the Bartonella adhesin BadA
Plos Pathog., 4, 2008
2LWB
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BU of 2lwb by Molmil
Structural model of BAD-1 repeat loop by NMR
Descriptor: Adhesin WI-1
Authors:Brandhorst, T, Klein, B, Tonelli, M.
Deposit date:2012-07-26
Release date:2013-07-31
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and function of a fungal adhesin that mimics thrombospondin-1 by binding heparin sulfate glycosaminoglycan and suppressing T cell activation via interaction with CD47
To be Published
3E94
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BU of 3e94 by Molmil
Crystal structure of RXRalpha ligand binding domain in complex with tributyltin and a coactivator fragment
Descriptor: ACETATE ION, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha, ...
Authors:Bourguet, W, Le Maire, A.
Deposit date:2008-08-21
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Activation of RXR-PPAR heterodimers by organotin environmental endocrine disruptors
Embo Rep., 10, 2009
3D5R
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BU of 3d5r by Molmil
Crystal Structure of Efb-C (N138A) / C3d Complex
Descriptor: Complement C3, Fibrinogen-binding protein
Authors:Geisbrecht, B.V.
Deposit date:2008-05-16
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Electrostatic contributions drive the interaction between Staphylococcus aureus protein Efb-C and its complement target C3d.
Protein Sci., 17, 2008
4A4O
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BU of 4a4o by Molmil
CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 2-(2-AMINO- PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-PYRROLOPYRIDIN-4-ONE INHIBITOR
Descriptor: 1-METHYL-2-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ...
Authors:Bertrand, J.A, Bossi, R.T.
Deposit date:2011-10-18
Release date:2012-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:5-(2-Amino-Pyrimidin-4-Yl)-1H-Pyrrole and 2-(2-Amino-Pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-Pyrrolo[3,2-C]Pyridin-4-One Derivatives as New Classes of Selective and Orally Available Polo-Like Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3D5S
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BU of 3d5s by Molmil
Crystal Structure of Efb-C (R131A) / C3d Complex
Descriptor: Complement C3, Fibrinogen-binding protein
Authors:Geisbrecht, B.V.
Deposit date:2008-05-16
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Electrostatic contributions drive the interaction between Staphylococcus aureus protein Efb-C and its complement target C3d.
Protein Sci., 17, 2008
2HH3
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BU of 2hh3 by Molmil
Solution structure of the third KH domain of KSRP
Descriptor: KH-type splicing regulatory protein
Authors:Garcia-Mayoral, M.F.
Deposit date:2006-06-27
Release date:2007-05-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The Structure of the C-Terminal KH Domains of KSRP Reveals a Noncanonical Motif Important for mRNA Degradation.
Structure, 15, 2007
2HH2
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BU of 2hh2 by Molmil
Solution structure of the fourth KH domain of KSRP
Descriptor: KH-type splicing regulatory protein
Authors:Garcia-Mayoral, M.F.
Deposit date:2006-06-27
Release date:2007-05-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The Structure of the C-Terminal KH Domains of KSRP Reveals a Noncanonical Motif Important for mRNA Degradation.
Structure, 15, 2007
3FH7
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BU of 3fh7 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate.
Descriptor: 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate, ACETATE ION, GLYCEROL, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-08
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FH5
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BU of 3fh5 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine.
Descriptor: (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine, ACETATE ION, GLYCEROL, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-08
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FH8
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BU of 3fh8 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine.
Descriptor: 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine, ACETATE ION, IMIDAZOLE, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-09
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
4A4L
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BU of 4a4l by Molmil
CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 5-(2-AMINO- PYRIMIDIN-4-YL)-1H-PYRROLE INHIBITOR
Descriptor: 1-METHYL-5-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1H-PYRROLE-3-CARBOXAMIDE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ...
Authors:Bertrand, J.A, Bossi, R.T.
Deposit date:2011-10-17
Release date:2012-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:5-(2-Amino-Pyrimidin-4-Yl)-1H-Pyrrole and 2-(2-Amino-Pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-Pyrrolo[3,2-C]Pyridin-4-One Derivatives as New Classes of Selective and Orally Available Polo-Like Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2JEA
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BU of 2jea by Molmil
Structure of a 9-subunit archaeal exosome bound to RNA
Descriptor: EXOSOME COMPLEX EXONUCLEASE 1, EXOSOME COMPLEX EXONUCLEASE 2, EXOSOME COMPLEX RNA-BINDING PROTEIN 1, ...
Authors:Lorentzen, E, Conti, E.
Deposit date:2007-01-16
Release date:2007-04-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:RNA Channelling by the Archaeal Exosome.
Embo Rep., 8, 2007
4PUZ
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BU of 4puz by Molmil
Crystal structure of spleen tyrosine kinase (Syk) in complex with GS-9973
Descriptor: 6-(1H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine, Tyrosine-protein kinase SYK
Authors:Lansdon, E.B, Mitchell, S.A.
Deposit date:2014-03-14
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.085 Å)
Cite:Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase.
J.Med.Chem., 57, 2014
3FHE
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BU of 3fhe by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor N-[3-(4-benzylphenoxy)propyl]-N-methyl-beta-alanine.
Descriptor: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-09
Release date:2010-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
2JEB
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BU of 2jeb by Molmil
Structure of a 9-subunit archaeal exosome bound to Mn ions
Descriptor: CHLORIDE ION, EXOSOME COMPLEX EXONUCLEASE 1, EXOSOME COMPLEX EXONUCLEASE 2, ...
Authors:Lorentzen, E, Conti, E.
Deposit date:2007-01-16
Release date:2007-04-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:RNA Channelling by the Archaeal Exosome.
Embo Rep., 8, 2007
4PV0
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BU of 4pv0 by Molmil
Crystal structure of spleen tyrosine kinase (Syk) in complex with an imidazopyrazine inhibitor
Descriptor: 4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid, CHLORIDE ION, Tyrosine-protein kinase SYK
Authors:Lansdon, E.B, Mitchell, S.A.
Deposit date:2014-03-14
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase.
J.Med.Chem., 57, 2014
4JMR
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BU of 4jmr by Molmil
A unique spumavirus gag N-terminal domain with functional properties of orthoretroviral Matrix and Capsid
Descriptor: Env protein, Gag protein
Authors:Taylor, I.A, Goldstone, D.C, Flower, T.G, Ball, N.J.
Deposit date:2013-03-14
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Unique Spumavirus Gag N-terminal Domain with Functional Properties of Orthoretroviral Matrix and Capsid.
Plos Pathog., 9, 2013
4N6T
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BU of 4n6t by Molmil
Adhiron: a stable and versatile peptide display scaffold - full length adhiron
Descriptor: Adhiron
Authors:Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J.
Deposit date:2013-10-14
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
4N6U
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BU of 4n6u by Molmil
Adhiron: a stable and versatile peptide display scaffold - truncated adhiron
Descriptor: Adhiron
Authors:Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J.
Deposit date:2013-10-14
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
2PPL
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BU of 2ppl by Molmil
Human Pancreatic lipase-related protein 1
Descriptor: CALCIUM ION, Pancreatic lipase-related protein 1, SODIUM ION
Authors:Walker, J.R, Davis, T, Seitova, A, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2007-04-30
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Human Pancreatic Lipase-related Protein 1.
To be Published
3FTZ
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BU of 3ftz by Molmil
Leukotriene A4 hydrolase in complex with fragment 2-(pyridin-3-ylmethoxy)aniline
Descriptor: 2-(pyridin-3-ylmethoxy)aniline, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
2GOM
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BU of 2gom by Molmil
Crystal structure of Efb-C from Staphylococcus aureus
Descriptor: Fibrinogen-binding protein
Authors:Hammel, M, Geisbrecht, B.V.
Deposit date:2006-04-13
Release date:2007-03-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A structural basis for complement inhibition by Staphylococcus aureus.
Nat.Immunol., 8, 2007
2GOX
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BU of 2gox by Molmil
Crystal structure of Efb-C / C3d Complex
Descriptor: Complement C3, Fibrinogen-binding protein
Authors:Hammel, M, Geisbrecht, B.V.
Deposit date:2006-04-14
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A structural basis for complement inhibition by Staphylococcus aureus.
Nat.Immunol., 8, 2007
3G0E
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BU of 3g0e by Molmil
KIT kinase domain in complex with sunitinib
Descriptor: Mast/stem cell growth factor receptor, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
Authors:Gajiwala, K.S, Wu, J.C, Lunney, E.A, Gemetri, G.D.
Deposit date:2009-01-27
Release date:2009-02-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients.
Proc.Natl.Acad.Sci.USA, 106, 2009

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