Author results

1F27
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CRYSTAL STRUCTURE OF A BIOTIN-BINDING RNA PSEUDOKNOT
Descriptor:RNA (5'-R(*AP*CP*CP*GP*UP*CP*AP*GP*AP*GP*GP*AP*CP*AP*CP*GP*GP*UP*U)-3'), RNA (5'-R(*AP*AP*AP*AP*AP*GP*UP*CP*CP*UP*C)-3'), MAGNESIUM ION, ...
Authors:Nix, J., Sussman, D., Wilson, C.
Deposit date:2000-05-23
Release date:2000-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The 1.3 A crystal structure of a biotin-binding pseudoknot and the basis for RNA molecular recognition.
J.Mol.Biol., 296, 2000
2NO2
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CRYSTAL STRUCTURE OF THE DLLRKN-CONTAINING COILED-COIL DOMAIN OF HUNTINGTIN-INTERACTING PROTEIN 1
Descriptor:Huntingtin-interacting protein 1
Authors:Ybe, J.A., Mishra, S., Helms, S., Nix, J.
Deposit date:2006-10-24
Release date:2007-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure at 2.8 A of the DLLRKN-containing coiled-coil domain of huntingtin-interacting protein 1 (HIP1) reveals a surface suitable for clathrin light chain binding
J.Mol.Biol., 367, 2007
2NP8
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STRUCTURAL BASIS FOR THE INHIBITION OF AURORA A KINASE BY A NOVEL CLASS OF HIGH AFFINITY DISUBSTITUTED PYRIMIDINE INHIBITORS
Descriptor:Serine/threonine-protein kinase 6, SULFATE ION, N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE
Authors:Tari, L.W., Hoffman, I.D., Bensen, D.C., Hunter, M.J., Nix, J., Nelson, K.J., McRee, D.E., Swanson, R.V.
Deposit date:2006-10-26
Release date:2006-12-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
3FKE
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STRUCTURE OF THE EBOLA VP35 INTERFERON INHIBITORY DOMAIN
Descriptor:Polymerase cofactor VP35
Authors:Amarasinghe, G.K., Leung, D.W., Ginder, N.D., Honzatko, R.B., Nix, J., Basler, C.F., Fulton, D.B.
Deposit date:2008-12-16
Release date:2009-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of the Ebola VP35 interferon inhibitory domain.
Proc.Natl.Acad.Sci.USA, 106, 2009
3QIL
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CRYSTAL STRUCTURE ANALYSIS OF THE CLATHRIN TRIMERIZATION DOMAIN
Descriptor:Clathrin heavy chain 1
Authors:Ybe, J.A., Mishra, S., Nix, J.
Deposit date:2011-01-27
Release date:2012-02-01
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (3.92 Å)
Cite:Nuclear localization of clathrin involves a labile helix outside the trimerization domain.
Febs Lett., 587, 2013
3VCY
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STRUCTURE OF MURA (UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE), FROM VIBRIO FISCHERI IN COMPLEX WITH SUBSTRATE UDP-N-ACETYLGLUCOSAMINE AND THE DRUG FOSFOMYCIN.
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase, [(1R)-1-hydroxypropyl]phosphonic acid, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, ...
Authors:Bensen, D.C., Rodriguez, S., Nix, J., Cunningham, M.L., Tari, L.W.
Deposit date:2012-01-04
Release date:2012-04-11
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:Structure of MurA (UDP-N-acetylglucosamine enolpyruvyl transferase) from Vibrio fischeri in complex with substrate UDP-N-acetylglucosamine and the drug fosfomycin.
Acta Crystallogr.,Sect.F, 68, 2012
3FGH
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HUMAN MITOCHONDRIAL TRANSCRIPTION FACTOR A BOX B
Descriptor:Transcription factor A, mitochondrial, CADMIUM ION, ...
Authors:Gangelhoff, T.A., Mungalachetty, P., Nix, J., Churchill, M.E.A.
Deposit date:2008-12-06
Release date:2009-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural analysis and DNA binding of the HMG domains of the human mitochondrial transcription factor A
Nucleic Acids Res., 37, 2009
5J99
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AMBIENT TEMPERATURE TRANSITION STATE STRUCTURE OF ARGININE KINASE - CRYSTAL 8/FORM I
Descriptor:Arginine kinase, ADENOSINE-5'-DIPHOSPHATE, ARGININE, ...
Authors:Godsey, M., Davulcu, O., Nix, J., Skalicky, J.J., Bruschweiler, R., Chapman, M.S.
Deposit date:2016-04-08
Release date:2016-08-17
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Sampling of Conformational Dynamics in Ambient-Temperature Crystal Structures of Arginine Kinase.
Structure, 24, 2016
5J9A
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AMBIENT TEMPERATURE TRANSITION STATE STRUCTURE OF ARGININE KINASE - CRYSTAL 11/FORM II
Descriptor:Arginine kinase, NITRATE ION, MAGNESIUM ION, ...
Authors:Godsey, M., Davulcu, O., Nix, J., Skalicky, J.J., Bruschweiler, R., Chapman, M.S.
Deposit date:2016-04-08
Release date:2016-08-17
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:The Sampling of Conformational Dynamics in Ambient-Temperature Crystal Structures of Arginine Kinase.
Structure, 24, 2016
5KVH
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CRYSTAL STRUCTURE OF HUMAN APOPTOSIS-INDUCING FACTOR WITH W196A MUTATION
Descriptor:Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Brosey, C.A., Nix, J., Ellenberger, T., Tainer, J.A.
Deposit date:2016-07-14
Release date:2016-11-16
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.273 Å)
Cite:Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor.
Structure, 24, 2016
5KVI
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CRYSTAL STRUCTURE OF MONOMERIC HUMAN APOPTOSIS-INDUCING FACTOR WITH E413A/R422A/R430A MUTATIONS
Descriptor:Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Brosey, C.A., Nix, J., Ellenberger, T., Tainer, J.A.
Deposit date:2016-07-14
Release date:2016-11-16
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor.
Structure, 24, 2016
4GEE
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:DNA gyrase subunit B, (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, GLYCEROL
Authors:Bensen, D.C., Chen, Z., Tari, L.W.
Deposit date:2012-08-01
Release date:2013-02-13
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4GFN
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC
Descriptor:DNA gyrase subunit B, (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, GLYCEROL
Authors:Bensen, D.C., Trzoss, M., Tari, L.W.
Deposit date:2012-08-03
Release date:2013-02-13
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4GGL
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY
Descriptor:DNA gyrase subunit B, 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, GLYCEROL
Authors:Bensen, D.C., Creighton, C.J., Tari, L.W.
Deposit date:2012-08-06
Release date:2013-02-13
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HXW
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:DNA gyrase subunit B, (3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine, TERTIARY-BUTYL ALCOHOL
Authors:Bensen, D.C., Trzoss, M., Tari, L.W.
Deposit date:2012-11-12
Release date:2013-02-13
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HXZ
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:Topoisomerase IV, subunit B, 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
Authors:Bensen, D.C., Creighton, C.J., Kwan, B., Tari, L.W.
Deposit date:2012-11-12
Release date:2013-02-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HY1
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:Topoisomerase IV, subunit B, 6-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one
Authors:Bensen, D.C., Creighton, C.J., Kwan, B., Tari, L.W.
Deposit date:2012-11-12
Release date:2013-02-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HYM
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:Topoisomerase IV, subunit B, 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one
Authors:Bensen, D.C., Creighton, C.J., Kwan, B., Tari, L.W.
Deposit date:2012-11-13
Release date:2013-02-13
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HYP
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:DNA gyrase subunit B, N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide, MAGNESIUM ION
Authors:Bensen, D.C., Creighton, C.J., Tari, L.W.
Deposit date:2012-11-13
Release date:2013-02-13
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HZ0
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:DNA topoisomerase 4 subunit B, 7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine, MAGNESIUM ION
Authors:Bensen, D.C., Trzoss, M., Tari, L.W.
Deposit date:2012-11-14
Release date:2013-02-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HZ5
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY
Descriptor:DNA topoisomerase IV, B subunit, 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
Authors:Bensen, D.C., Creighton, C.J., Tari, L.W.
Deposit date:2012-11-14
Release date:2013-02-13
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4QU2
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THE STRUCTURE OF JMJD7 WITH ALPHA-KG
Descriptor:JmjC domain-containing protein 7, NICKEL (II) ION, 2-OXOGLUTARIC ACID
Authors:Liu, H.L., Wang, C., Zhang, G.Y.
Deposit date:2014-07-10
Release date:2015-07-15
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of JMJD7 with alpha-KG
To be Published
6AVS
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COMPLEX STRUCTURE OF JMJD5 AND SYMMETRIC MONOMETHYL-ARGININE (MMA)
Descriptor:Lysine-specific demethylase 8, ZINC ION, (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid
Authors:Lee, S., Liu, H., Wang, Y., Dai, S., Zhang, G.
Deposit date:2017-09-04
Release date:2018-02-28
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
6AX3
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COMPLEX STRUCTURE OF JMJD5 AND SYMMETRIC DIMETHYL-ARGININE (SDMA)
Descriptor:Lysine-specific demethylase 8, N3, N4-DIMETHYLARGININE, ...
Authors:Lee, S., Liu, H., Wang, Y., Dai, S., Zhang, G.
Deposit date:2017-09-06
Release date:2018-02-28
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
3BVQ
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CRYSTAL STRUCTURE OF APO NOTI RESTRICTION ENDONUCLEASE
Descriptor:NotI restriction endonuclease, FE (III) ION, SULFATE ION
Authors:Lambert, A.R., Sussman, D., Shen, B., Stoddard, B.L.
Deposit date:2008-01-07
Release date:2008-01-22
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the Rare-Cutting Restriction Endonuclease NotI Reveal a Unique Metal Binding Fold Involved in DNA Binding.
Structure, 16, 2008
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