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1KIM
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH DEOXYTHYMIDINE
分子名称: SULFATE ION, THYMIDINE, THYMIDINE KINASE
著者Champness, J.N, Bennett, M.S, Wien, F, Brown, D.G, Visse, R, Sandhu, G, Davies, A, Rizkallah, P.J, Melitz, C, Summers, W.C, Sanderson, M.R.
登録日1997-11-12
公開日1998-05-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
1KI2
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BU of 1ki2 by Molmil
CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH GANCICLOVIR
分子名称: 9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE, SULFATE ION, THYMIDINE KINASE
著者Champness, J.N, Bennett, M.S, Wien, F, Brown, D.G, Visse, R, Sandhu, G, Davies, A, Rizkallah, P.J, Melitz, C, Summers, W.C, Sanderson, M.R.
登録日1998-05-15
公開日1998-12-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
6EZG
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BU of 6ezg by Molmil
Torpedo californica AChE in complex with indolic multi-target directed ligand
分子名称: 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Santoni, G, Lalut, J, Karila, D, Lecoutey, C, Davis, A, Nachon, F, Sillman, I, Sussman, J, Weik, M, Maurice, T, Dallemagne, P, Rochais, C.
登録日2017-11-15
公開日2018-11-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase.
Eur J Med Chem, 162, 2018
6EZH
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Torpedo californica AChE in complex with indolic multi-target directed ligand
分子名称: 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Santoni, G, Lalut, J, Karila, D, Lecoutey, C, Davis, A, Nachon, F, Sillman, I, Sussman, J, Weik, M, Maurice, T, Dallemagne, P, Rochais, C.
登録日2017-11-15
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase.
Eur J Med Chem, 162, 2018
4O8W
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BU of 4o8w by Molmil
Crystal Structure of the GerD spore germination protein
分子名称: Spore germination protein
著者Li, Y, Jin, K, Ghosh, S, Devarakonda, P, Carlson, K, Davis, A, Stewart, K, Cammett, E, Rossi, P.P, Setlow, B, Lu, M, Setlow, P, Hao, B.
登録日2013-12-30
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.293 Å)
主引用文献Structural and Functional Analysis of the GerD Spore Germination Protein of Bacillus Species.
J.Mol.Biol., 426, 2014
1E2I
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BU of 1e2i by Molmil
The nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography
分子名称: 9-HYDROXYPROPYLADENINE, R-ISOMER, S-ISOMER, ...
著者Vogt, J, Scapozza, L, Schulz, G.E.
登録日2000-05-23
公開日2000-11-06
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nucleoside Binding Site of Herpes Simplex Type 1 Thymidine Kinase Analyzed by X-Ray Crystallography
Proteins, 41, 2000
1E2J
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The nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography
分子名称: SULFATE ION, THYMIDINE, THYMIDINE KINASE
著者Vogt, J, Scapozza, L, Schulz, G.E.
登録日2000-05-23
公開日2000-11-06
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nucleoside Binding Site of Herpes Simplex Type 1 Thymidine Kinase Analyzed by X-Ray Crystallography
Proteins: Struct.,Funct., Genet., 41, 2000
1E2H
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BU of 1e2h by Molmil
The nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography
分子名称: SULFATE ION, THYMIDINE KINASE
著者Vogt, J, Scapozza, L, Schulz, G.E.
登録日2000-05-23
公開日2000-11-06
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nucleoside Binding Site of Herpes Simplex Type 1 Thymidine Kinase Analyzed by X-Ray Crystallography
Proteins: Struct.,Funct., Genet., 41, 2000
1KI7
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BU of 1ki7 by Molmil
CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-IODODEOXYURIDINE
分子名称: 5-IODODEOXYURIDINE, SULFATE ION, THYMIDINE KINASE
著者Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R.
登録日1998-05-15
公開日1998-12-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
1KI8
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-BROMOVINYLDEOXYURIDINE
分子名称: 5-BROMOVINYLDEOXYURIDINE, SULFATE ION, THYMIDINE KINASE
著者Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R.
登録日1998-05-15
公開日1998-12-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
1KI6
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BU of 1ki6 by Molmil
CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH A 5-IODOURACIL ANHYDROHEXITOL NUCLEOSIDE
分子名称: 1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(5-IODOURACIL-1-YL)-D-ABABINO-HEXITOL, SULFATE ION, THYMIDINE KINASE
著者Champness, J.N, Bennett, M.S, Wien, F, Herdewijn, P, Ostrowski, T, Summers, W.C, Sanderson, M.R.
登録日1998-05-18
公開日1998-12-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
1KI4
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BU of 1ki4 by Molmil
CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-BROMOTHIENYLDEOXYURIDINE
分子名称: 5-BROMOTHIENYLDEOXYURIDINE, SULFATE ION, THYMIDINE KINASE
著者Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R.
登録日1998-05-18
公開日1998-12-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
1KI3
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BU of 1ki3 by Molmil
CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH PENCICLOVIR
分子名称: 9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE, SULFATE ION, THYMIDINE KINASE
著者Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Jarvest, R.L, Summers, W.C, Sanderson, M.R.
登録日1998-05-15
公開日1999-05-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
1E2K
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Kinetics and crystal structure of the wild-type and the engineered Y101F mutant of Herpes simplex virus type 1 thymidine kinase interacting with (North)-methanocarba-thymidine
分子名称: 1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE, SULFATE ION, THYMIDINE KINASE
著者Vogt, J, Scapozza, L, Schulz, G.E.
登録日2000-05-23
公開日2000-08-19
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Kinetics and Crystal Structure of the Wild-Type and the Engineered Y101F Mutant of Herpes Simplex Virus Type 1 Thymidine Kinase Interacting with (North)-Methanocarba-Thymidine
Biochemistry, 39, 2000
1E2L
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BU of 1e2l by Molmil
Kinetics and crystal structure of the wild-type and the engineered Y101F mutant of Herpes simplex virus type 1 thymidine kinase interacting with (North)-methanocarba-thymidine
分子名称: 1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE, SULFATE ION, THYMIDINE KINASE
著者Vogt, J, Scapozza, L, Schulz, G.E.
登録日2000-05-23
公開日2000-08-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Kinetics and Crystal Structure of the Wild-Type and the Engineered Y101F Mutant of Herpes Simplex Virus Type 1 Thymidine Kinase Interacting with (North)-Methanocarba-Thymidine
Biochemistry, 39, 2000
3F0T
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BU of 3f0t by Molmil
Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with N-methyl-DHBT
分子名称: N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine, SULFATE ION, Thymidine kinase
著者Pernot, L, Perozzo, R, Westermaier, Y, Martic, M, Ametamey, S, Scapozza, L.
登録日2008-10-26
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo.
Nucleosides Nucleotides Nucleic Acids, 30, 2011
1E2M
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HPT + HMTT
分子名称: 6-HYDROXYPROPYLTHYMINE, SULFATE ION, THYMIDINE KINASE
著者Vogt, J, Scapozza, L, Schulz, G.E.
登録日2000-05-23
公開日2001-03-31
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Effect of Substrate Binding on the Conformation and Structural Stability of Herpes Simplex Virus Type 1 Thymidine Kinase
Protein Sci., 10, 2001
1E2N
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HPT + HMTT
分子名称: 6-{[4-(HYDROXYMETHYL)-5-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDIN-5-YL]METHYL}-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE, SULFATE ION, THYMIDINE KINASE
著者Vogt, J, Scapozza, L, Schulz, G.E.
登録日2000-05-23
公開日2001-03-31
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Effect of Substrate Binding on the Conformation and Structural Stability of Herpes Simplex Virus Type 1 Thymidine Kinase
Protein Sci., 10, 2001
1E2P
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Thymidine kinase, DHBT
分子名称: 6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE, SULFATE ION, THYMIDINE KINASE
著者Schulz, G.E, Kessler, U.
登録日2000-05-23
公開日2001-04-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Effect of Substrate Binding on the Conformation and Structural Stability of Herpes Simplex Virus Type 1 Thymidine Kinase
Protein Sci., 10, 2001
1CDR
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STRUCTURE OF A SOLUBLE, GLYCOSYLATED FORM OF THE HUMAN COMPLEMENT REGULATORY PROTEIN CD59
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CD59
著者Fletcher, C.M, Harrison, R.A, Lachmann, P.J, Neuhaus, D.
登録日1994-06-01
公開日1994-09-30
最終更新日2020-07-29
実験手法SOLUTION NMR
主引用文献Structure of a soluble, glycosylated form of the human complement regulatory protein CD59.
Structure, 2, 1994
1CDS
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STRUCTURE OF A SOLUBLE, GLYCOSYLATED FORM OF THE HUMAN COMPLEMENT REGULATORY PROTEIN CD59
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD59
著者Fletcher, C.M, Harrison, R.A, Lachmann, P.J, Neuhaus, D.
登録日1994-06-01
公開日1994-09-30
最終更新日2020-07-29
実験手法SOLUTION NMR
主引用文献Structure of a soluble, glycosylated form of the human complement regulatory protein CD59.
Structure, 2, 1994
1CDQ
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STRUCTURE OF A SOLUBLE, GLYCOSYLATED FORM OF THE HUMAN COMPLEMENT REGULATORY PROTEIN CD59
分子名称: CD59
著者Fletcher, C.M, Harrison, R.A, Lachmann, P.J, Neuhaus, D.
登録日1994-06-01
公開日1994-09-30
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Structure of a soluble, glycosylated form of the human complement regulatory protein CD59.
Structure, 2, 1994
6O59
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Crystal structure of the N-terminal domain of the A subunit of the Bacillus megaterium spore germinant receptor GerK3
分子名称: Germination protein
著者Li, Y, Hao, B.
登録日2019-03-01
公開日2019-05-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural and functional analyses of the N-terminal domain of the A subunit of aBacillus megateriumspore germinant receptor.
Proc.Natl.Acad.Sci.USA, 116, 2019
6E5C
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Solution NMR structure of a de novo designed double-stranded beta-helix
分子名称: De novo beta protein
著者Marcos, E, Chidyausiku, T.M, McShan, A, Evangelidis, T, Nerli, S, Sgourakis, N, Tripsianes, K, Baker, D.
登録日2018-07-19
公開日2018-11-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献De novo design of a non-local beta-sheet protein with high stability and accuracy.
Nat. Struct. Mol. Biol., 25, 2018
7SKN
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De novo synthetic protein DIG8-CC (tetragonal space group)
分子名称: De novo synthetic protein DIG8-CC
著者Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022

 

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