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PDB: 22 件

6IL3
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BU of 6il3 by Molmil
Crystal structure of the FLT3 kinase bound to a small molecule inhibitor
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, 7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine, CHLORIDE ION, ...
著者Thomas, C.J.
登録日2018-10-16
公開日2018-12-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the FLT3 kinase bound to a small molecule inhibitor
To Be Published
1SVS
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BU of 1svs by Molmil
Structure of the K180P mutant of Gi alpha subunit bound to GppNHp.
分子名称: Guanine nucleotide-binding protein G(i), alpha-1 subunit, MAGNESIUM ION, ...
著者Thomas, C.J, Du, X, Li, P, Wang, Y, Ross, E.M, Sprang, S.R.
登録日2004-03-29
公開日2004-06-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Uncoupling conformational change from GTP hydrolysis in a heterotrimeric G protein {alpha}-subunit.
Proc.Natl.Acad.Sci.USA, 101, 2004
1SVK
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BU of 1svk by Molmil
Structure of the K180P mutant of Gi alpha subunit bound to AlF4 and GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ...
著者Thomas, C.J, Du, X, Li, P, Wang, Y, Ross, E.M, Sprang, S.R.
登録日2004-03-29
公開日2004-06-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Uncoupling conformational change from GTP hydrolysis in a heterotrimeric G protein {alpha}-subunit.
Proc.Natl.Acad.Sci.USA, 101, 2004
1V6O
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BU of 1v6o by Molmil
Peanut lectin complexed with 10mer peptide (PVRIWSSATG)
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION
著者Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
登録日2003-12-02
公開日2004-02-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
1V6J
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BU of 1v6j by Molmil
peanut lectin-lactose complex crystallized in orthorhombic form at acidic pH
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
著者Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
登録日2003-12-01
公開日2004-02-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
1V6K
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BU of 1v6k by Molmil
Peanut lectin-lactose complex in the presence of peptide(IWSSAGNVA)
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
著者Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
登録日2003-12-01
公開日2004-02-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
1V6L
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BU of 1v6l by Molmil
Peanut lectin-lactose complex in the presence of 9mer peptide (PVIWSSATG)
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
著者Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
登録日2003-12-01
公開日2004-02-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
1V6I
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BU of 1v6i by Molmil
Peanut lectin-lactose complex in acidic pH
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
著者Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
登録日2003-12-01
公開日2004-02-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
1V6N
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BU of 1v6n by Molmil
Peanut lectin with 9mer peptide (PVIWSSATG)
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION
著者Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
登録日2003-12-02
公開日2004-02-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
1V6M
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BU of 1v6m by Molmil
Peanut Lectin with 9mer peptide (IWSSAGNVA)
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION
著者Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
登録日2003-12-02
公開日2004-02-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
5F92
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BU of 5f92 by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate
分子名称: CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ...
著者Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J.
登録日2015-12-09
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site.
Proc.Natl.Acad.Sci.USA, 113, 2016
5F91
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Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator (N-(5-(azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide)
分子名称: CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ...
著者Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J.
登録日2015-12-09
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site.
Proc.Natl.Acad.Sci.USA, 113, 2016
6S7U
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BU of 6s7u by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(1H-indol-3-yl)acetamide
分子名称: FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ...
著者Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C.
登録日2019-07-06
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
6S7W
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BU of 6s7w by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(quinolin-4-yl)acetamide
分子名称: FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ...
著者Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C.
登録日2019-07-07
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
6S43
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BU of 6s43 by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azocan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
分子名称: FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ...
著者Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C.
登録日2019-06-26
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
6S7K
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BU of 6s7k by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-methylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
分子名称: FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ...
著者Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C.
登録日2019-07-05
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
6S7S
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BU of 6s7s by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-phenylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
分子名称: FORMIC ACID, Fumarate hydratase class II, ~{N}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide
著者Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C.
登録日2019-07-05
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
6S88
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BU of 6s88 by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-((1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)sulfonyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
分子名称: FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ...
著者Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C.
登録日2019-07-08
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
6S7Z
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BU of 6s7z by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
分子名称: FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ...
著者Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C.
登録日2019-07-07
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
3IES
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BU of 3ies by Molmil
Firefly luciferase inhibitor complex
分子名称: 5'-O-[(R)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine, Luciferin 4-monooxygenase
著者Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J.
登録日2009-07-23
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124.
Proc.Natl.Acad.Sci.USA, 107, 2010
3IER
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BU of 3ier by Molmil
Firefly luciferase apo structure (P41 form) with PEG 400 bound
分子名称: Luciferin 4-monooxygenase, TETRAETHYLENE GLYCOL
著者Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J.
登録日2009-07-23
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124.
Proc.Natl.Acad.Sci.USA, 107, 2010
3IEP
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BU of 3iep by Molmil
Firefly luciferase apo structure (P41 form)
分子名称: Luciferin 4-monooxygenase
著者Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J.
登録日2009-07-23
公開日2010-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124.
Proc.Natl.Acad.Sci.USA, 107, 2010

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件を2024-05-22に公開中

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