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4N4U
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BU of 4n4u by Molmil
Crystal structure of ABC transporter solute binding protein BB0719 from Bordetella bronchiseptica RB50, TARGET EFI-510049
Descriptor: GLYCEROL, Putative ABC transporter periplasmic solute-binding protein
Authors:Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-10-08
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
5BQF
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BU of 5bqf by Molmil
Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADP, HEPES and L(+)-tartaric acid
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Langner, K.M, Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Stead, M, Hillerich, B.S, Chowdhury, S, Hammonds, J, Zimmerman, M.D, Al Obaidi, N, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2015-05-29
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADP, HEPES and L-tartaric acid
to be published
8EC6
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BU of 8ec6 by Molmil
Cryo-EM structure of the Glutaminase C core filament (fGAC)
Descriptor: Isoform 2 of Glutaminase kidney isoform, mitochondrial, PHOSPHATE ION
Authors:Ambrosio, A.L, Dias, S.M, Quesnay, J.E, Portugal, R.V, Cassago, A, van Heel, M.G, Islam, Z, Rodrigues, C.T.
Deposit date:2022-09-01
Release date:2023-09-20
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular mechanism of glutaminase activation through filamentation and the role of filaments in mitophagy protection.
Nat.Struct.Mol.Biol., 30, 2023
6VGR
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BU of 6vgr by Molmil
Crystal Structure of Human Dipeptidase 3 in Complex with Fab of SC-003
Descriptor: Dipeptidase 3, SC-003 Fab Heavy Chain, SC-003 Fab Light Chain
Authors:Hayashi, K, Longenecker, K.L, Vivona, S.
Deposit date:2020-01-08
Release date:2020-05-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structure of human DPEP3 in complex with the SC-003 antibody Fab fragment reveals basis for lack of dipeptidase activity.
J.Struct.Biol., 211, 2020
6VGO
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BU of 6vgo by Molmil
Crystal Structure of Human Dipeptidase 3
Descriptor: Dipeptidase 3
Authors:Hayashi, K, Longenecker, K.L, Vivona, S.
Deposit date:2020-01-08
Release date:2020-05-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of human DPEP3 in complex with the SC-003 antibody Fab fragment reveals basis for lack of dipeptidase activity.
J.Struct.Biol., 211, 2020
7Z0O
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BU of 7z0o by Molmil
Structure of transcription factor UAF in complex with TBP and 35S rRNA promoter DNA
Descriptor: Histone H3, Histone H4, Non-template DNA, ...
Authors:Baudin, F, Murciano, B, Fung, H.K.H, Fromm, S.A, Mueller, C.W.
Deposit date:2022-02-23
Release date:2022-04-27
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanism of RNA polymerase I selection by transcription factor UAF.
Sci Adv, 8, 2022
4C3F
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BU of 4c3f by Molmil
Structure of Lck in complex with a compound discovered by Virtual Fragment Linking
Descriptor: N-phenyl-4-(5-phenyl-1H-pyrazol-4-yl)pyrimidin-2-amine, TYROSINE-PROTEIN KINASE LCK
Authors:Cowan-Jacob, S.W, Rummel, G, Stark, W.
Deposit date:2013-08-23
Release date:2013-10-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Efficient search of chemical space: navigating from fragments to structurally diverse chemotypes.
J. Med. Chem., 56, 2013
3V8W
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BU of 3v8w by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 469
Descriptor: 3-[2-(5-phenyl-2H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-23
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V5J
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BU of 3v5j by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 090
Descriptor: 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-16
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
8P2T
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BU of 8p2t by Molmil
Bovine naive ultralong antibody AbD08* collected at 100K
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Antibody D08* heavy chain, Antibody D08* light chain, ...
Authors:Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J.
Deposit date:2023-05-16
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The impact of chain-exchange on bovine ultralong immunoglobulins.
Acta Crystallographica Section F, 2024
3V5L
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BU of 3v5l by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542
Descriptor: 3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-16
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
6VPV
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BU of 6vpv by Molmil
Trimeric Photosystem I from the High-Light Tolerant Cyanobacteria Cyanobacterium Aponinum
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Dobson, Z, Toporik, H, Vaughn, N, Lin, S, Williams, D, Fromme, P, Mazor, Y.
Deposit date:2020-02-04
Release date:2021-08-04
Last modified:2021-09-08
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:The structure of photosystem I from a high-light tolerant Cyanobacteria.
Elife, 10, 2021
7TBI
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BU of 7tbi by Molmil
Composite structure of the S. cerevisiae nuclear pore complex (NPC)
Descriptor: Dyn2, Nic96 R1, Nic96 R2, ...
Authors:Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
Deposit date:2021-12-22
Release date:2022-06-15
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (25 Å)
Cite:Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
4NBP
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BU of 4nbp by Molmil
Crystal structure of the JCV large T-antigen origin binding domain
Descriptor: L(+)-TARTARIC ACID, Large T antigen
Authors:Meinke, G, Bohm, A, Bullock, P.
Deposit date:2013-10-23
Release date:2014-03-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.315 Å)
Cite:Insights into the Initiation of JC Virus DNA Replication Derived from the Crystal Structure of the T-Antigen Origin Binding Domain.
Plos Pathog., 10, 2014
3VF9
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BU of 3vf9 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Thienopyrazolylindole Inhibitor 027
Descriptor: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, Tyrosine-protein kinase SYK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2012-01-09
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V8T
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BU of 3v8t by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
Descriptor: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-23
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3VF8
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BU of 3vf8 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416
Descriptor: 3-[5-(5-ethoxy-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,1-diethylurea, Tyrosine-protein kinase SYK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2012-01-09
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
4LN5
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BU of 4ln5 by Molmil
Crystal structure of a trap periplasmic solute binding protein from burkholderia ambifaria (Bamb_6123), TARGET EFI-510059, with bound glycerol and chloride ion
Descriptor: CHLORIDE ION, GLYCEROL, TRAP dicarboxylate transporter, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-07-11
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4MHF
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BU of 4mhf by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Glucuronate, space group P21
Descriptor: TRAP dicarboxylate transporter, DctP subunit, alpha-D-glucopyranuronic acid, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-08-29
Release date:2013-09-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4MCO
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BU of 4mco by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Rhodoferax ferrireducens (Rfer_1840), target EFI-510211, with bound malonate
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MALONATE ION, TRAP dicarboxylate transporter-DctP subunit
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-08-21
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
1MSC
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BU of 1msc by Molmil
CRYSTAL STRUCTURE OF MS2 COAT PROTEIN DIMER
Descriptor: BACTERIOPHAGE MS2 COAT PROTEIN
Authors:Ni, C.-Z, Kodandapani, R, Ely, K.R.
Deposit date:1995-04-28
Release date:1995-07-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the MS2 coat protein dimer: implications for RNA binding and virus assembly.
Structure, 3, 1995
3R35
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BU of 3r35 by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73D complexed with 4-hydroxyphenacyl CoA
Descriptor: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3TEA
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BU of 3tea by Molmil
Crystal structure of Arthrobacter sp. strain su 4-hydroxybenzoyl CoA thioesterase double mutant Q58E/E73A complexed with 4-hydroxyphenacyl CoA
Descriptor: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-08-12
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
4JPS
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BU of 4jps by Molmil
Co-crystal Structures of the Lipid Kinase PI3K alpha with Pan and Isoform Selective Inhibitors
Descriptor: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Knapp, M.S, Elling, R.A.
Deposit date:2013-03-19
Release date:2014-04-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation.
Bioorg.Med.Chem.Lett., 23, 2013
4AG8
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BU of 4ag8 by Molmil
CRYSTAL STRUCTURE OF THE VEGFR2 KINASE DOMAIN IN COMPLEX WITH AXITINIB (AG-013736) (N-Methyl-2-(3-((E)-2-pyridin-2-yl-vinyl)-1H- indazol-6-ylsulfanyl)-benzamide)
Descriptor: AXITINIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
Authors:McTigue, M, Wickersham, J, Pinko, C, Kania, R.S, Bender, S.
Deposit date:2012-01-24
Release date:2012-09-26
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012

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