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6KVQ
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BU of 6kvq by Molmil
S. aureus FtsZ in complex with BOFP (compound 3)
Descriptor: CALCIUM ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Ferrer-Gonzalez, E, Fujita, J, Yoshizawa, T, Nelson, J.M, Pilch, A.J, Hillman, E, Ozawa, M, Kuroda, N, Parhi, A.K, LaVoie, E.J, Matsumura, H, Pilch, D.S.
Deposit date:2019-09-05
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Guided Design of a Fluorescent Probe for the Visualization of FtsZ in Clinically Important Gram-Positive and Gram-Negative Bacterial Pathogens.
Sci Rep, 9, 2019
6KVP
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BU of 6kvp by Molmil
S. aureus FtsZ in complex with 3-(1-(5-bromo-4-(4-(trifluoromethyl)phenyl)oxazol-2-yl)ethoxy)-2,6-difluorobenzamide (compound 2)
Descriptor: 3-[(1R)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ...
Authors:Ferrer-Gonzalez, E, Fujita, J, Yoshizawa, T, Nelson, J.M, Pilch, A.J, Hillman, E, Ozawa, M, Kuroda, N, Parhi, A.K, LaVoie, E.J, Matsumura, H, Pilch, D.S.
Deposit date:2019-09-05
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Guided Design of a Fluorescent Probe for the Visualization of FtsZ in Clinically Important Gram-Positive and Gram-Negative Bacterial Pathogens.
Sci Rep, 9, 2019
6LL6
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BU of 6ll6 by Molmil
Crsyal structure of EcFtsZ (residues 11-316)
Descriptor: Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
Authors:Yoshizawa, T, Fujita, J, Terakada, H, Ozawa, M, Kuroda, N, Tanaka, S, Uehara, R, Matsumura, H.
Deposit date:2019-12-21
Release date:2020-02-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the cell-division protein FtsZ from Klebsiella pneumoniae and Escherichia coli.
Acta Crystallogr.,Sect.F, 76, 2020
6LL5
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BU of 6ll5 by Molmil
Crystal structure of KpFtsZ (residues 11-316)
Descriptor: Cell division protein FtsZ, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE
Authors:Yoshizawa, T, Fujita, J, Terakado, H, Ozawa, M, Kuroda, N, Tanaka, S, Uehara, R, Matsumura, H.
Deposit date:2019-12-21
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of the cell-division protein FtsZ from Klebsiella pneumoniae and Escherichia coli.
Acta Crystallogr.,Sect.F, 76, 2020
3AD5
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BU of 3ad5 by Molmil
Crystal structure of Triazolone derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-[4-(benzyloxy)phenyl]-5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, DIMETHYL SULFOXIDE, ...
Authors:Tsuji, E.
Deposit date:2010-01-14
Release date:2011-01-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AC1
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BU of 3ac1 by Molmil
Crystal structure of pyrazin derivative bound to the kinase domain of Human LCK, (Auto-phosphorylated on TYR394)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Tsuji, E.
Deposit date:2009-12-28
Release date:2010-06-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AC5
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BU of 3ac5 by Molmil
Crystal structure of triazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: 5-{[(1R,2S)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide, DIMETHYL SULFOXIDE, Proto-oncogene tyrosine-protein kinase LCK, ...
Authors:Tsuji, E.
Deposit date:2009-12-28
Release date:2010-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ab initio molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AC3
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BU of 3ac3 by Molmil
Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: 2-[(3,5-dimethoxyphenyl)amino]-5-ethyl-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
Authors:Tsuji, E.
Deposit date:2009-12-28
Release date:2010-06-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AC2
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BU of 3ac2 by Molmil
Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(2-amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Tsuji, E.
Deposit date:2009-12-28
Release date:2010-06-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AC8
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BU of 3ac8 by Molmil
Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: 7-[(2-amino-2-methylpropyl)amino]-5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
Authors:Tsuji, E.
Deposit date:2009-12-29
Release date:2010-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3ACJ
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BU of 3acj by Molmil
Crystal structure of imidazo pyrimidine derivative bound to the kinase domain of human LCK, (Auto-phosphorylated on TYR394)
Descriptor: 7-(3,4-dimethoxyphenyl)-5-(ethylsulfanyl)imidazo[1,2-c]pyrimidine, DIMETHYL SULFOXIDE, Proto-oncogene tyrosine-protein kinase LCK, ...
Authors:Tsuji, E.
Deposit date:2010-01-05
Release date:2010-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3ACK
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BU of 3ack by Molmil
Crystal structure of Pyrrolo pyrazine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: 6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine, DIMETHYL SULFOXIDE, Proto-oncogene tyrosine-protein kinase LCK, ...
Authors:Tsuji, E.
Deposit date:2010-01-05
Release date:2010-06-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AD4
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BU of 3ad4 by Molmil
Crystal Structure of Methoxy Benzofuran Derivative bound to the Kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: (4-chlorophenyl)(5-methoxy-1-benzofuran-2-yl)methanone, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Tsuji, E.
Deposit date:2010-01-14
Release date:2011-01-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AC4
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BU of 3ac4 by Molmil
Crystal structure of triazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: 5-[(2-amino-1,1-dimethylethyl)amino]-7-[(3,5-dimethoxyphenyl)amino][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide, DIMETHYL SULFOXIDE, Proto-oncogene tyrosine-protein kinase LCK, ...
Authors:Tsuji, E.
Deposit date:2009-12-28
Release date:2010-06-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AD6
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BU of 3ad6 by Molmil
Crystal structure of Pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: 7-[(cyclopropylmethyl)amino]-2-[(4-methoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, DIMETHYL SULFOXIDE, Proto-oncogene tyrosine-protein kinase LCK, ...
Authors:Tsuji, E.
Deposit date:2010-01-14
Release date:2011-01-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3A7E
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BU of 3a7e by Molmil
Crystal structure of human COMT complexed with SAM and 3,5-dinitrocatechol
Descriptor: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Tsuji, E.
Deposit date:2009-09-26
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Hit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 1: In silico Fragments Linking and Verification of Spatial Proximity using Inter Ligand NOE Approachs
To be Published
2EC5
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BU of 2ec5 by Molmil
Crystal structures reveal a thiol-protease like catalytic triad in the C-terminal region of Pasteurella multocida toxin
Descriptor: Dermonecrotic toxin
Authors:Kitadokoro, K, Horiguchi, Y, Kamitani, S.
Deposit date:2007-02-09
Release date:2007-03-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures reveal a thiol protease-like catalytic triad in the C-terminal region of Pasteurella multocida toxin
Proc.Natl.Acad.Sci.Usa, 104, 2007
2EBF
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BU of 2ebf by Molmil
Crystal structures reveal a thiol-protease like catalytic triad in the C-terminal region of Pasteurella multocida toxin
Descriptor: Dermonecrotic toxin, PHOSPHONATE, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Kitadokoro, K, Horiguchi, Y, Kamitani, S.
Deposit date:2007-02-08
Release date:2007-03-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures reveal a thiol protease-like catalytic triad in the C-terminal region of Pasteurella multocida toxin
Proc.Natl.Acad.Sci.Usa, 104, 2007
2EBH
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BU of 2ebh by Molmil
Crystal structures reveal a thiol-protease like catalytic triad in the C-terminal region of Pasteurella multocida toxin
Descriptor: Dermonecrotic toxin, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Kitadokoro, K, Horiguchi, Y, Kamitani, S.
Deposit date:2007-02-08
Release date:2007-03-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures reveal a thiol protease-like catalytic triad in the C-terminal region of Pasteurella multocida toxin
Proc.Natl.Acad.Sci.Usa, 104, 2007
2ZM4
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BU of 2zm4 by Molmil
Crystal structure of imidazo quinoxaline 1 bound to the kinase domain of human LCK, activated form (auto-phosphorylated on TYR394)
Descriptor: DIMETHYL SULFOXIDE, N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine, Proto-oncogene tyrosine-protein kinase LCK, ...
Authors:Tsuji, E.
Deposit date:2008-04-11
Release date:2008-10-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Bioorg.Med.Chem., 16, 2008
2ZM1
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BU of 2zm1 by Molmil
Crystal structure of imidazo pyrazin 1 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: DIMETHYL SULFOXIDE, N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine, Proto-oncogene tyrosine-protein kinase LCK, ...
Authors:Tsuji, E.
Deposit date:2008-04-10
Release date:2008-10-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Bioorg.Med.Chem., 16, 2008
2ZYB
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BU of 2zyb by Molmil
Crystal structure of phenylimidazo pyrazin 2 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
Authors:Tsuji, E.
Deposit date:2009-01-19
Release date:2009-02-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Bioorg.Med.Chem., 16, 2008
3L56
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BU of 3l56 by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1)
Descriptor: Polymerase PB2
Authors:Staker, B.L, Edwards, T, Eric, S, Raymond, A, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-12-21
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
3KC6
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BU of 3kc6 by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1)
Descriptor: 1,2-ETHANEDIOL, Polymerase PB2
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-10-20
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
3KHW
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BU of 3khw by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/mexico/indre4487/2009(h1n1)
Descriptor: GLYCEROL, Polymerase PB2
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-10-31
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010

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數據於2024-11-06公開中

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