Search by PDB author

Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
Descriptor:	Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:	Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:	2022-05-16
Release date:	2022-09-14
Last modified:	2022-09-28
Method:	SOLUTION NMR
Cite:	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

8CUN

Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor:	Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:	Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:	2022-05-17
Release date:	2022-09-14
Last modified:	2022-09-28
Method:	SOLUTION NMR
Cite:	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

8CWA

Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
Descriptor:	Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:	Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:	2022-05-18
Release date:	2022-09-14
Last modified:	2022-09-28
Method:	SOLUTION NMR
Cite:	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

7TXX

Solution structure for Bartonella henselae BamE, a component of the beta-barrel assembly machinery complex. Seattle Structural Genomics Center for Infectious Disease target BaheA.17605.a
Descriptor:	BA5
Authors:	Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2022-02-10
Release date:	2022-03-02
Last modified:	2023-06-14
Method:	SOLUTION NMR
Cite:	Structural characterization of Bartonella henselae BamE, a component of the beta-barrel assembly machinery complex To Be Published

7UBE

Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in d6-DMSO with cis/trans switching
Descriptor:	Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:	Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:	2022-03-14
Release date:	2022-09-14
Last modified:	2022-09-28
Method:	SOLUTION NMR
Cite:	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

7UBC

Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in d6-DMSO with cis/trans switching
Descriptor:	Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:	Ramelot, T.A, Tejero, R, Monteltione, G.T.
Deposit date:	2022-03-14
Release date:	2022-09-14
Last modified:	2022-09-28
Method:	SOLUTION NMR
Cite:	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

7UBG

Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (A-TT conformation)
Descriptor:	Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:	Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:	2022-03-14
Release date:	2022-09-14
Last modified:	2022-09-28
Method:	SOLUTION NMR
Cite:	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

7UBH

Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in CDCl3 with cis/trans switching
Descriptor:	Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:	Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:	2022-03-14
Release date:	2022-09-14
Last modified:	2022-09-28
Method:	SOLUTION NMR
Cite:	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

7UBF

Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor:	Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:	Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:	2022-03-14
Release date:	2022-09-14
Last modified:	2022-09-28
Method:	SOLUTION NMR
Cite:	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

7UBD

Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (A-CC conformation)
Descriptor:	Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:	Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:	2022-03-14
Release date:	2022-09-14
Last modified:	2022-09-28
Method:	SOLUTION NMR
Cite:	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

7UBI

Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TT conformation, 47%)
Descriptor:	Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:	Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:	2022-03-14
Release date:	2022-09-14
Last modified:	2022-09-28
Method:	SOLUTION NMR
Cite:	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

7UCP

computationally designed macrocycle
Descriptor:	computationally designed cyclic peptide D8.3.p2
Authors:	Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M.
Deposit date:	2022-03-17
Release date:	2022-09-14
Last modified:	2022-09-28
Method:	X-RAY DIFFRACTION (0.85 Å)
Cite:	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

7UZL

Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (B-TC conformation)
Descriptor:	Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:	Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:	2022-05-09
Release date:	2022-09-14
Last modified:	2022-09-28
Method:	SOLUTION NMR
Cite:	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

7UWQ

Klebsiella pneumoniae adenosine monophosphate nucleosidase
Descriptor:	AMP nucleosidase
Authors:	Richardson, B.C, French, J.B.
Deposit date:	2022-05-03
Release date:	2022-09-28
Last modified:	2022-11-16
Method:	ELECTRON MICROSCOPY (3.05 Å)
Cite:	Structure of Klebsiella pneumoniae adenosine monophosphate nucleosidase. Plos One, 17, 2022

1GYQ

CRYSTAL STRUCTURE OF GLYCOSOMAL GLYCERALDEHYDE FROM LEISHMANIA MEXICANA IN COMPLEX WITH N6-BENZYL-NAD
Descriptor:	N6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE)
Authors:	Suresh, S, Hol, W.
Deposit date:	1999-03-05
Release date:	1999-03-16
Last modified:	2023-08-09
Method:	X-RAY DIFFRACTION (3.4 Å)
Cite:	Structure-based design of submicromolar, biologically active inhibitors of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase. Proc.Natl.Acad.Sci.USA, 96, 1999

6ALI

Solution NMR structure of a putative thioredoxin (ECH_0218) in the oxidized state from Ehrlichia chaffeensis, the etiological agent responsible for human monocytic ehrlichiosis. Seattle Structural Genomics Center for Infectious Disease target EhchA.00546.a
Descriptor:	Thioredoxin
Authors:	Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2017-08-08
Release date:	2017-09-06
Last modified:	2023-06-14
Method:	SOLUTION NMR
Cite:	Solution NMR structures of oxidized and reduced Ehrlichia chaffeensis thioredoxin: NMR-invisible structure owing to backbone dynamics. Acta Crystallogr F Struct Biol Commun, 74, 2018

6AMR

Solution NMR structure of a putative thioredoxin (ECH_0218) in the reduced state from Ehrlichia chaffeensis, the etiological agent responsible for human monocytic ehrlichiosis. Seattle Structural Genomics Center for Infectious Disease target EhchA.00546.a
Descriptor:	Thioredoxin
Authors:	Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2017-08-11
Release date:	2017-09-20
Last modified:	2023-06-14
Method:	SOLUTION NMR
Cite:	Solution NMR structures of oxidized and reduced Ehrlichia chaffeensis thioredoxin: NMR-invisible structure owing to backbone dynamics. Acta Crystallogr F Struct Biol Commun, 74, 2018

4WI1

Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with TCMDC-124506
Descriptor:	1,2-ETHANEDIOL, 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]urea, CHLORIDE ION, ...
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2014-09-25
Release date:	2016-05-04
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (1.65 Å)
Cite:	Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase. Acs Infect Dis., 2016

4YSM

Calcium-Dependent Protein Kinase from Eimeria tenella
Descriptor:	CALCIUM ION, Calmodulin-like domain protein kinase
Authors:	Merritt, E.A.
Deposit date:	2015-03-17
Release date:	2016-04-06
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (3.19 Å)
Cite:	CDPK is a druggable target in the apicomplexan parasite Eimeria to be published

3UPZ

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243
Descriptor:	1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:	Merritt, E.A, Larson, E.T.
Deposit date:	2011-11-18
Release date:	2012-03-14
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (2.2 Å)
Cite:	Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012

3UQF

c-SRC kinase domain in complex with BKI RM-1-89
Descriptor:	3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:	Merritt, E.A, Larson, E.T.
Deposit date:	2011-11-20
Release date:	2012-03-14
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (2.27 Å)
Cite:	Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012

3UQG

c-SRC kinase domain in complex with bumpless BKI analog UW1243
Descriptor:	1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:	Merritt, E.A, Larson, E.T.
Deposit date:	2011-11-20
Release date:	2012-03-14
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (2.2 Å)
Cite:	Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012

3V51

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176
Descriptor:	3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:	Merritt, E.A, Larson, E.T.
Deposit date:	2011-12-15
Release date:	2012-03-14
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (1.95 Å)
Cite:	Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012

3V5P

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288
Descriptor:	3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:	Merritt, E.A, Larson, E.T.
Deposit date:	2011-12-16
Release date:	2012-03-14
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012

3V5T

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299
Descriptor:	1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:	Merritt, E.A, Larson, E.T.
Deposit date:	2011-12-16
Release date:	2012-03-14
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (2.13 Å)
Cite:	Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012

<1 2 345 6 7 8 9 10 11 12 13 14 15 16 >

Total results:	451
Displayed results:	25
Sorted by:	Hit score (from highest)