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4LFD
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BU of 4lfd by Molmil
Staphylococcus aureus sortase B-substrate complex
分子名称: (CBZ)NPQ(B27) PEPTIDE, SULFATE ION, Sortase B
著者Jacobitz, A.W, Sawaya, M.R, Yi, S.W, Amer, B.R, Huang, G.L, Nguyen, A.V, Jung, M.E, Clubb, R.T.
登録日2013-06-26
公開日2014-02-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural and Computational Studies of the Staphylococcus aureus Sortase B-Substrate Complex Reveal a Substrate-stabilized Oxyanion Hole.
J.Biol.Chem., 289, 2014
5TH4
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BU of 5th4 by Molmil
Crystal Structure of 1-hydroxypyridine-2(1H)-thione bound to human carbonic anhydrase 2 L198G
分子名称: 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Dick, B, Cohen, S.
登録日2016-09-29
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
5THI
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BU of 5thi by Molmil
Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 L198G
分子名称: 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ...
著者Dick, B, Cohen, S.
登録日2016-09-29
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
5TI0
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BU of 5ti0 by Molmil
Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 L198G
分子名称: 2-hydroxycyclohepta-2,4,6-triene-1-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Dick, B, Cohen, S.
登録日2016-09-30
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
5THN
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BU of 5thn by Molmil
Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2
分子名称: 2-hydroxycyclohepta-2,4,6-triene-1-thione, CITRIC ACID, Carbonic anhydrase 2, ...
著者Dick, B, Cohen, S.
登録日2016-09-29
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
4MLX
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BU of 4mlx by Molmil
Structure of a bidentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII
分子名称: 5-hydroxy-2-methyl-4H-pyran-4-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2013-09-06
公開日2014-07-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site.
J.Am.Chem.Soc., 136, 2014
4P0W
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BU of 4p0w by Molmil
Human farnesyl diphosphate synthase in complex with Arenarone and zoledronate
分子名称: 2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Liu, Y.L, Oldfield, E.
登録日2014-02-23
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
4P0V
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BU of 4p0v by Molmil
Crystal structure of human farnesyl diphosphoate synthase in complex with zoledronate and taxodione
分子名称: (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Liu, Y.L, Oldfield, E.
登録日2014-02-23
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
5CYT
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BU of 5cyt by Molmil
REFINEMENT OF MYOGLOBIN AND CYTOCHROME C
分子名称: CYTOCHROME C, HEME C
著者Takano, T.
登録日1988-01-14
公開日1989-07-12
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Refinement of Myoglobin and Cytochrome C
Methods and Applications in Crystallographic Computing, 1984
4Q7W
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BU of 4q7w by Molmil
Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-6-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q90
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BU of 4q90 by Molmil
Crystal structure of 4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 4-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-28
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q7P
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BU of 4q7p by Molmil
Crystal Structure of 1-hydroxy-3-methylpyridine-2(1H)-thione bound to hCAII
分子名称: 1-hydroxy-3-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q87
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BU of 4q87 by Molmil
Crystal structure of 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q8Y
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BU of 4q8y by Molmil
Crystal structure of 2-hydroxyisoquinoline-1(2H)-thione bound to human carbonic anhydrase II
分子名称: 2-hydroxyisoquinoline-1(2H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-28
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q7V
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BU of 4q7v by Molmil
Crystal structure of 1-hydroxy-5-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-5-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q83
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BU of 4q83 by Molmil
Crystal structure of 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q8X
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BU of 4q8x by Molmil
Crystal structure of 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-28
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q99
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BU of 4q99 by Molmil
Crystal structure of 2-mercapto-4-methylphenol bound to human carbonic anhydrase II
分子名称: 4-methyl-2-sulfanylphenol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-29
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q7S
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BU of 4q7s by Molmil
Crystal Structure of 1-hydroxy-4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-4-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q81
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BU of 4q81 by Molmil
Crystal structure of 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q8Z
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BU of 4q8z by Molmil
Crystal structure of 1-hydroxy-4-methylpyridin-2(1H)-one bound to human carbonic anhydrase II
分子名称: 1-hydroxy-4-methylpyridin-2(1H)-one, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-28
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q9Y
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BU of 4q9y by Molmil
Crystal structure of 3-methylthiophenol bound to human carbonic anhydrase II
分子名称: 3-methylbenzenethiol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-05-02
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
1APB
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BU of 1apb by Molmil
A PRO TO GLY MUTATION IN THE HINGE OF THE ARABINOSE-BINDING PROTEIN ENHANCES BINDING AND ALTERS SPECIFICITY: SUGAR-BINDING AND CRYSTALLOGRAPHIC STUDIES
分子名称: L-ARABINOSE-BINDING PROTEIN, alpha-D-fucopyranose, beta-D-fucopyranose
著者Vermersch, P.S, Tesmer, J.J.G, Quiocho, F.A.
登録日1991-11-15
公開日1992-01-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A Pro to Gly mutation in the hinge of the arabinose-binding protein enhances binding and alters specificity. Sugar-binding and crystallographic studies.
J.Biol.Chem., 265, 1990
4P0X
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BU of 4p0x by Molmil
Human farnesyl diphosphate synthase in complex with Taxodione
分子名称: (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione, Farnesyl pyrophosphate synthase
著者Liu, Y.L, Oldfield, E.
登録日2014-02-23
公開日2014-07-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
1BAP
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BU of 1bap by Molmil
A PRO TO GLY MUTATION IN THE HINGE OF THE ARABINOSE-BINDING PROTEIN ENHANCES BINDING AND ALTERS SPECIFICITY: SUGAR-BINDING AND CRYSTALLOGRAPHIC STUDIES
分子名称: L-ARABINOSE-BINDING PROTEIN, alpha-L-arabinopyranose, beta-L-arabinopyranose
著者Vermersch, P.S, Tesmer, J.J.G, Quiocho, F.A.
登録日1991-11-15
公開日1992-01-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Pro to Gly mutation in the hinge of the arabinose-binding protein enhances binding and alters specificity. Sugar-binding and crystallographic studies.
J.Biol.Chem., 265, 1990
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