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THE CRYSTAL STRUCTURE OF ALPHA-THROMBIN-HIRUNORM IV COMPLEX REVEALS A NOVEL SPECIFICITY SITE RECOGNITION MODE.
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUNORM IV
著者	Lombardi, A, De Simone, G, Nastri, F, Galdiero, S, Della Morte, R, Staiano, N, Pedone, C, Bolognesi, M, Pavone, V.
登録日	1998-09-18
公開日	1999-06-15
最終更新日	2023-08-09
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	The crystal structure of alpha-thrombin-hirunorm IV complex reveals a novel specificity site recognition mode. Protein Sci., 8, 1999

1VL3

DESIGN OF NEW MIMOCHROMES WITH UNIQUE TOPOLOGY
分子名称:	CO(III)-(DEUTEROPORPHYRIN IX), GLU-SER-GLN-LEU-HIS-SER-ASN-LYS-ARG
著者	Lombardi, A, Nastri, F, Marasco, D, Maglio, O, De Sanctis, G, Sinibaldi, F, Santucci, R, Coletta, M, Pavone, V.
登録日	2004-07-05
公開日	2004-07-20
最終更新日	2023-12-27
実験手法	SOLUTION NMR
主引用文献	Design of a New Mimochrome with Unique Topology. Chemistry, 9, 2003

1U7J

Solution structure of a diiron protein model
分子名称:	Four-helix bundle model, ZINC ION
著者	Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A.
登録日	2004-08-04
公開日	2005-03-01
最終更新日	2024-05-29
実験手法	SOLUTION NMR
主引用文献	Analysis and Design of Turns in alpha-Helical Hairpins J.Mol.Biol., 346, 2005

2KIK

An artificial di-iron oxo-protein with phenol oxidase activity
分子名称:	Artificial diiron protein, ZINC ION
著者	Maglio, O, Lombardi, A.
登録日	2009-05-06
公開日	2009-11-10
最終更新日	2022-03-16
実験手法	SOLUTION NMR
主引用文献	An artificial di-iron oxo-protein with phenol oxidase activity To be Published

1NVO

Solution structure of a four-helix bundle model, apo-DF1
分子名称:	Homodimeric Alpha2 Four-Helix Bundle
著者	Maglio, O, Nastri, F, Pavone, V, Lombardi, A, DeGrado, W.F.
登録日	2003-02-04
公開日	2003-03-25
最終更新日	2022-02-23
実験手法	SOLUTION NMR
主引用文献	Preorganization of molecular binding sites in designed diiron proteins Proc.Natl.Acad.Sci.USA, 100, 2003

1U7M

Solution structure of a diiron protein model: Due Ferri(II) turn mutant
分子名称:	Four-helix bundle model, ZINC ION
著者	Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A.
登録日	2004-08-04
公開日	2005-03-01
最終更新日	2024-05-29
実験手法	SOLUTION NMR
主引用文献	Analysis and Design of Turns in alpha-Helical Hairpins J.Mol.Biol., 346, 2005

5GDS

HIRUNORMS ARE TRUE HIRUDIN MIMETICS. THE CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN:HIRUNORM V COMPLEX
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUNORM V
著者	De Simone, G, Lombardi, A, Galdiero, S, Nastri, F, Della Morte, R, Staiano, N, Pedone, C, Bolognesi, M, Pavone, V.
登録日	1997-07-17
公開日	1998-01-21
最終更新日	2023-08-09
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Hirunorms are true hirudin mimetics. The crystal structure of human alpha-thrombin-hirunorm V complex. Protein Sci., 7, 1998

1PYZ

CRYSTALLOGRAPHIC STRUCTURE OF MIMOCHROME IV
分子名称:	CHLORIDE ION, CO(III)-(DEUTEROPORPHYRIN IX), MIMOCHROME IV, ...
著者	Di Costanzo, L, Geremia, S, Randaccio, L, Nastri, F, Maglio, O, Lombardi, A, Pavone, V.
登録日	2003-07-09
公開日	2004-12-14
最終更新日	2018-06-27
実験手法	X-RAY DIFFRACTION (1.25 Å)
主引用文献	Miniaturized heme proteins: crystal structure of Co(III)-mimochrome IV. J.Biol.Inorg.Chem., 9, 2004

1Y47

Structural studies of designed alpha-helical hairpins
分子名称:	CADMIUM ION, dueferri (DF2)
著者	Lahr, S.J, Engel, D.E, Stayrook, S.E, Maglio, O, North, B, Geremia, S, Lombardi, A, DeGrado, W.F.
登録日	2004-11-30
公開日	2005-03-22
最終更新日	2023-08-23
実験手法	X-RAY DIFFRACTION (2.7 Å)
主引用文献	Analysis and design of turns in alpha-helical hairpins J.Mol.Biol., 346, 2005

1EC5

CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL
分子名称:	PROTEIN (FOUR-HELIX BUNDLE MODEL), ZINC ION
著者	Geremia, S.
登録日	2000-01-25
公開日	2000-07-26
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Inaugural article: retrostructural analysis of metalloproteins: application to the design of a minimal model for diiron proteins. Proc.Natl.Acad.Sci.USA, 97, 2000

1JM0

CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL
分子名称:	DIMETHYL SULFOXIDE, MANGANESE (II) ION, PROTEIN (FOUR-HELIX BUNDLE MODEL)
著者	Di Costanzo, L, Geremia, S.
登録日	2001-07-17
公開日	2002-01-16
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center. J.Am.Chem.Soc., 123, 2001

1JMB

CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL
分子名称:	DIMETHYL SULFOXIDE, MANGANESE (II) ION, PROTEIN (FOUR-HELIX BUNDLE MODEL)
著者	Di Costanzo, L, Geremia, S.
登録日	2001-07-18
公開日	2002-01-16
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center. J.Am.Chem.Soc., 123, 2001

1OVU

CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL di-Co(II)-DF1-L13A (form I)
分子名称:	COBALT (II) ION, four-helix bundle model di-Co(II)-DF1-L13A (form I)
著者	Di Costanzo, L, Geremia, S.
登録日	2003-03-27
公開日	2004-04-06
最終更新日	2019-11-20
実験手法	X-RAY DIFFRACTION (3.1 Å)
主引用文献	Response of a designed metalloprotein to changes in metal ion coordination, exogenous ligands, and active site volume determined by X-ray crystallography. J.Am.Chem.Soc., 127, 2005

1OVR

CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL di-Mn(II)-DF1-L13
分子名称:	MANGANESE (II) ION, four-helix bundle model di-Mn(II)-DF1-L13
著者	Di Costanzo, L, Geremia, S.
登録日	2003-03-27
公開日	2004-05-18
最終更新日	2017-10-11
実験手法	X-RAY DIFFRACTION (2.99 Å)
主引用文献	Response of a designed metalloprotein to changes in metal ion coordination, exogenous ligands, and active site volume determined by X-ray crystallography. J.Am.Chem.Soc., 127, 2005

1OVV

CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL di-Co(II)-DF1-L13A (form II)
分子名称:	COBALT (II) ION, FOUR-HELIX BUNDLE MODEL di-Co(II)-DF1-L13A (form II)
著者	Di Costanzo, L, Geremia, S.
登録日	2003-03-27
公開日	2004-04-06
最終更新日	2019-11-20
実験手法	X-RAY DIFFRACTION (2.9 Å)
主引用文献	Response of a designed metalloprotein to changes in metal ion coordination, exogenous ligands, and active site volume determined by X-ray crystallography. J.Am.Chem.Soc., 127, 2005

1LT1

SLIDING HELIX INDUCED CHANGE OF COORDINATION GEOMETRY IN A MODEL DI-MN(II) PROTEIN
分子名称:	L13G-DF1, MANGANESE (II) ION
著者	Di Costanzo, L, Geremia, S.
登録日	2002-05-20
公開日	2003-05-20
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.91 Å)
主引用文献	Sliding helix and change of coordination geometry in a model di-MnII protein Angew.Chem.Int.Ed.Engl., 42, 2003

5SBG

The crystal structure of METP in complex with Zn at a resolution of 1.34 A.
分子名称:	METP, miniaturized rubredoxin, ZINC ION
著者	Di Costanzo, L, La Gatta, S, Chino, M.
登録日	2021-08-24
公開日	2023-02-15
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (1.338 Å)
主引用文献	Designed Rubredoxin miniature in a fully artificial electron chain triggered by visible light Nat Commun, 14, 2023

7JH6

De novo designed two-domain di-Zn(II) and porphyrin-binding protein
分子名称:	NONAETHYLENE GLYCOL, Two-domain di-Zn(II) and porphyrin-binding protein, ZINC ION, ...
著者	Schmidt, N, Liu, L, DeGrado, W.F.
登録日	2020-07-20
公開日	2020-12-09
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (3.5 Å)
主引用文献	Allosteric cooperation in a de novo-designed two-domain protein. Proc.Natl.Acad.Sci.USA, 117, 2020

2HZ8

QM/MM structure refined from NMR-structure of a single chain diiron protein
分子名称:	De novo designed diiron protein, ZINC ION
著者	Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F.
登録日	2006-08-08
公開日	2007-07-17
最終更新日	2024-05-29
実験手法	SOLUTION NMR
主引用文献	Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement. Structure, 16, 2008

5WLK

De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH2
分子名称:	Helical Bundle 4EH2, ZINC ION
著者	Zhang, S.-Q, Liu, L, DeGrado, W.F.
登録日	2017-07-27
公開日	2018-01-03
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles. J. Am. Chem. Soc., 140, 2018

5WLJ

De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH1
分子名称:	De Novo Metal Binding Helical Bundle, ZINC ION
著者	Zhang, S.-Q, Liu, L, DeGrado, W.F.
登録日	2017-07-27
公開日	2018-01-03
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles. J. Am. Chem. Soc., 140, 2018

5WLM

De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4DH2
分子名称:	Helical Bundle 4DH2, ZINC ION
著者	Zhang, S.-Q, Liu, L, DeGrado, W.F.
登録日	2017-07-27
公開日	2018-01-03
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (1.95 Å)
主引用文献	De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles. J. Am. Chem. Soc., 140, 2018

5WLL

De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4DH1
分子名称:	GLYCEROL, Helical Bundle 4DH1, ZINC ION
著者	Zhang, S.-Q, Liu, L, DeGrado, W.F.
登録日	2017-07-27
公開日	2018-01-03
最終更新日	2020-01-01
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles. J. Am. Chem. Soc., 140, 2018

1MFT

Crystal Structure Of Four-Helix Bundle Model
分子名称:	Four-helix bundle model, ZINC ION
著者	Lahr, S.J, Stayrook, S.E, North, B, Kaplan, J, Geremia, S, DeGrado, W.
登録日	2002-08-13
公開日	2004-01-20
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Analysis and Design of Turns in alpha-Helical Hairpins J.Mol.Biol., 346, 2005

1EVQ

THE CRYSTAL STRUCTURE OF THE THERMOPHILIC CARBOXYLESTERASE EST2 FROM ALICYCLOBACILLUS ACIDOCALDARIUS
分子名称:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SERINE HYDROLASE
著者	De Simone, G, Galdiero, S, Manco, G, Lang, D, Rossi, M, Pedone, C.
登録日	2000-04-20
公開日	2000-11-22
最終更新日	2018-01-31
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	A snapshot of a transition state analogue of a novel thermophilic esterase belonging to the subfamily of mammalian hormone-sensitive lipase. J.Mol.Biol., 303, 2000

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