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Crystal structure of the unconventional kinetochore protein Trypanosoma brucei KKT4 BRCT domain K543A mutant
分子名称:	Trypanosoma brucei KKT4 463-645 K543A
著者	Ludzia, P, Akiyoshi, B.
登録日	2022-01-11
公開日	2022-02-09
最終更新日	2024-05-22
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	NMR study of the structure and dynamics of the BRCT domain from the kinetochore protein KKT4. Biomol.Nmr Assign., 18, 2024

2PGF

Crystal structure of adenosine deaminase from Plasmodium vivax in complex with adenosine
分子名称:	ACETONITRILE, ADENOSINE, ZINC ION, ...
著者	Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日	2007-04-09
公開日	2007-04-24
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (1.89 Å)
主引用文献	Structures of substrate- and inhibitor-bound adenosine deaminase from a human malaria parasite show a dramatic conformational change and shed light on drug selectivity. J.Mol.Biol., 381, 2008

2PGR

Crystal structure of adenosine deaminase from Plasmodium vivax in complex with pentostatin
分子名称:	2'-DEOXYCOFORMYCIN, ACETONITRILE, ZINC ION, ...
著者	Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日	2007-04-10
公開日	2007-04-24
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Structures of substrate- and inhibitor-bound adenosine deaminase from a human malaria parasite show a dramatic conformational change and shed light on drug selectivity. J.Mol.Biol., 381, 2008

8SK7

Cryo-EM structure of designed Influenza HA binder, HA_20, bound to Influenza HA (Strain: Iowa43)
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HA_20 minibinder (RFdiffusion-designed), ...
著者	Borst, A.J, Bennett, N.R.
登録日	2023-04-18
公開日	2023-06-14
最終更新日	2023-09-13
実験手法	ELECTRON MICROSCOPY (2.93 Å)
主引用文献	De novo design of protein structure and function with RFdiffusion. Nature, 620, 2023

2QVN

Crystal structure of adenosine deaminase from Plasmodium vivax in complex with guanosine
分子名称:	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Adenosine deaminase, GUANOSINE
著者	Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日	2007-08-08
公開日	2007-09-04
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2.19 Å)
主引用文献	Structures of substrate- and inhibitor-bound adenosine deaminase from a human malaria parasite show a dramatic conformational change and shed light on drug selectivity. J.Mol.Biol., 381, 2008

1THA

MECHANISM OF MOLECULAR RECOGNITION. STRUCTURAL ASPECTS OF 3,3'-DIIODO-L-THYRONINE BINDING TO HUMAN SERUM TRANSTHYRETIN
分子名称:	3,3'-DEIODO-THYROXINE, TRANSTHYRETIN
著者	Wojtczak, A, Luft, J, Cody, V.
登録日	1991-11-21
公開日	1994-01-31
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Mechanism of molecular recognition. Structural aspects of 3,3'-diiodo-L-thyronine binding to human serum transthyretin. J.Biol.Chem., 267, 1992

4DMN

HIV-1 Integrase Catalytical Core Domain
分子名称:	(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, ARSENIC, HIV-1 Integrase, ...
著者	Feng, L, Kvaratskhelia, M.
登録日	2012-02-08
公開日	2012-03-21
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2.45 Å)
主引用文献	Multimode, cooperative mechanism of action of allosteric HIV-1 integrase inhibitors. J.Biol.Chem., 287, 2012

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%)
分子名称:	Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者	Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日	2022-03-14
公開日	2022-09-14
最終更新日	2022-09-28
実験手法	SOLUTION NMR
主引用文献	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)
分子名称:	Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
著者	Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日	2022-03-14
公開日	2022-09-14
最終更新日	2022-09-28
実験手法	SOLUTION NMR
主引用文献	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%)
分子名称:	Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者	Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日	2022-03-14
公開日	2022-09-14
最終更新日	2022-09-28
実験手法	SOLUTION NMR
主引用文献	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

7UCP

computationally designed macrocycle
分子名称:	computationally designed cyclic peptide D8.3.p2
著者	Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M.
登録日	2022-03-17
公開日	2022-09-14
最終更新日	2022-09-28
実験手法	X-RAY DIFFRACTION (0.85 Å)
主引用文献	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)
分子名称:	Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
著者	Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日	2022-05-09
公開日	2022-09-14
最終更新日	2022-09-28
実験手法	SOLUTION NMR
主引用文献	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
分子名称:	Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
著者	Ramelot, T.A, Tejero, R, Monteltione, G.T.
登録日	2022-03-14
公開日	2022-09-14
最終更新日	2022-09-28
実験手法	SOLUTION NMR
主引用文献	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

7UBE

Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in d6-DMSO with cis/trans switching
分子名称:	Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者	Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日	2022-03-14
公開日	2022-09-14
最終更新日	2022-09-28
実験手法	SOLUTION NMR
主引用文献	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

6FOY

The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 9
分子名称:	5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者	Levy, C.W, Leys, D.
登録日	2018-02-08
公開日	2019-08-21
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (1.65 Å)
主引用文献	A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites. Commun Biol, 2, 2019

7UBG

Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (A-TT conformation)
分子名称:	Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
著者	Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日	2022-03-14
公開日	2022-09-14
最終更新日	2022-09-28
実験手法	SOLUTION NMR
主引用文献	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
分子名称:	Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
著者	Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日	2022-03-14
公開日	2022-09-14
最終更新日	2022-09-28
実験手法	SOLUTION NMR
主引用文献	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

6FP0

The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 4
分子名称:	(2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者	Levy, C.W, Leys, D.
登録日	2018-02-08
公開日	2019-08-21
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (2.03 Å)
主引用文献	A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites. Commun Biol, 2, 2019

6FOX

The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with kynurenine
分子名称:	(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者	Levy, C.W, Leys, D.
登録日	2018-02-08
公開日	2019-08-21
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites. Commun Biol, 2, 2019

6FP1

The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1
分子名称:	2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者	Levy, C.W, Leys, D.
登録日	2018-02-08
公開日	2019-08-21
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (1.97 Å)
主引用文献	A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites. Commun Biol, 2, 2019

8CTO

Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
分子名称:	Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
著者	Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日	2022-05-16
公開日	2022-09-14
最終更新日	2022-09-28
実験手法	SOLUTION NMR
主引用文献	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%)
分子名称:	Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者	Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日	2022-05-17
公開日	2022-09-14
最終更新日	2022-09-28
実験手法	SOLUTION NMR
主引用文献	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%)
分子名称:	Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者	Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日	2022-05-18
公開日	2022-09-14
最終更新日	2022-09-28
実験手法	SOLUTION NMR
主引用文献	Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

2PAB

STRUCTURE OF PREALBUMIN, SECONDARY, TERTIARY AND QUATERNARY INTERACTIONS DETERMINED BY FOURIER REFINEMENT AT 1.8 ANGSTROMS
分子名称:	TRANSTHYRETIN PRECURSOR
著者	Oatley, S.J, Blake, C.C.F.
登録日	1977-09-16
公開日	1977-10-24
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Structure of prealbumin: secondary, tertiary and quaternary interactions determined by Fourier refinement at 1.8 A. J.Mol.Biol., 121, 1978

2AR1

Structure of Hypothetical protein from Leishmania major
分子名称:	GLYCEROL, hypothetical protein
著者	Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日	2005-08-18
公開日	2005-08-30
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (1.602 Å)
主引用文献	Structure of Lmaj006129AAA, a hypothetical protein from Leishmania major. Acta Crystallogr.,Sect.F, 62, 2006

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