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1GMY
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BU of 1gmy by Molmil
Cathepsin B complexed with dipeptidyl nitrile inhibitor
分子名称: 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ...
著者Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K.
登録日2001-09-25
公開日2002-09-19
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design
J.Med.Chem., 44, 2001
4F2U
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BU of 4f2u by Molmil
Structure of the N254Y/H258Y double mutant of the Phosphatidylinositol-Specific Phospholipase C from S.aureus
分子名称: 1-phosphatidylinositol phosphodiesterase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION
著者Cheng, J, Goldstein, R, Stec, B, Gershenson, A, Roberts, M.F.
登録日2012-05-08
公開日2012-12-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Competition between Anion Binding and Dimerization Modulates Staphylococcus aureus Phosphatidylinositol-specific Phospholipase C Enzymatic Activity.
J.Biol.Chem., 287, 2012
4F2T
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BU of 4f2t by Molmil
Modulation of S.aureus Phosphatidylinositol-Specific Phospholipase C Membrane Binding.
分子名称: 1-phosphatidylinositol phosphodiesterase, ACETATE ION
著者Cheng, J, Goldstein, R, Stec, B, Gershenson, A, Roberts, M.F.
登録日2012-05-08
公開日2012-12-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Competition between Anion Binding and Dimerization Modulates Staphylococcus aureus Phosphatidylinositol-specific Phospholipase C Enzymatic Activity.
J.Biol.Chem., 287, 2012
4F2B
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Modulation of S.Aureus Phosphatidylinositol-Specific Phospholipase C Membrane Binding
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase
著者Cheng, J, Goldstein, R, Stec, B, Gershenson, A, Roberts, M.F.
登録日2012-05-07
公開日2012-12-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Competition between Anion Binding and Dimerization Modulates Staphylococcus aureus Phosphatidylinositol-specific Phospholipase C Enzymatic Activity.
J.Biol.Chem., 287, 2012
3V16
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An intramolecular pi-cation latch in phosphatidylinositol-specific phospholipase C from S.aureus controls substrate access to the active site
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, CHLORIDE ION
著者Goldstein, R.I, Cheng, J, Stec, B, Roberts, M.F.
登録日2011-12-09
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of the S. aureus PI-Specific Phospholipase C Reveals Modulation of Active Site Access by a Titratable PI-Cation Latched Loop
Biochemistry, 51, 2012
3V18
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Structure of the Phosphatidylinositol-specific phospholipase C from Staphylococcus aureus
分子名称: 1-phosphatidylinositol phosphodiesterase, ISOPROPYL ALCOHOL, SULFATE ION
著者Goldstein, R.I, Cheng, J, Stec, B, Roberts, M.F.
登録日2011-12-09
公開日2012-04-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure of the S. aureus PI-Specific Phospholipase C Reveals Modulation of Active Site Access by a Titratable PI-Cation Latched Loop
Biochemistry, 51, 2012
3V1H
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BU of 3v1h by Molmil
Structure of the H258Y mutant of Phosphatidylinositol-specific phospholipase C from Staphylococcus aureus
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ACETATE ION
著者Goldstein, R.I, Cheng, J, Stec, B, Roberts, M.F.
登録日2011-12-09
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the S. aureus PI-Specific Phospholipase C Reveals Modulation of Active Site Access by a Titratable PI-Cation Latched Loop
Biochemistry, 51, 2012
3ZXH
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MMP-13 complexed with 2-Napthylsulfonamide hydroxamic acid inhibitor
分子名称: CALCIUM ION, COLLAGENASE 3, GLYCEROL, ...
著者Clark, K.L, Kulathila, R.
登録日2011-08-10
公開日2011-10-19
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Potent and Selective 2-Naphthylsulfonamide Substituted Hydroxamic Acid Inhibitors of Matrix Metalloproteinase-13.
Bioorg.Med.Chem.Lett., 21, 2011
3ELM
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BU of 3elm by Molmil
Crystal Structure of MMP-13 Complexed with Inhibitor 24f
分子名称: (2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid, CALCIUM ION, Collagenase 3, ...
著者Kulathila, R, Monovich, L, Koehn, J.
登録日2008-09-22
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13
J.Med.Chem., 52, 2009
4I8Y
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BU of 4i8y by Molmil
Structure of the unliganded N254Y/H258Y mutant of the phosphatidylinositol-specific phospholipase C from S. aureus
分子名称: 1-phosphatidylinositol phosphodiesterase, ACETATE ION, CHLORIDE ION
著者Goldstein, R.I, Cheng, J, Stec, B, Gershenson, A, Roberts, M.F.
登録日2012-12-04
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The cation-pi box is a specific phosphatidylcholine membrane targeting motif.
J.Biol.Chem., 288, 2013
4I9J
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BU of 4i9j by Molmil
Structure of the N254Y/H258Y mutant of the phosphatidylinositol-specific phospholipase C from S. aureus bound to diC4PC
分子名称: (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, 1-phosphatidylinositol phosphodiesterase, ACETATE ION
著者Goldstein, R.I, Cheng, J, Stec, B, Gershenson, A, Roberts, M.F.
登録日2012-12-05
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The cation-pi box is a specific phosphatidylcholine membrane targeting motif.
J.Biol.Chem., 288, 2013
4I90
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Structure of the N254Y/H258Y mutant of the phosphatidylinositol-specific phospholipase C from S. aureus bound to choline
分子名称: 1-phosphatidylinositol phosphodiesterase, ACETATE ION, CHLORIDE ION, ...
著者Goldstein, R.I, Cheng, J, Stec, B, Gershenson, A, Roberts, M.F.
登録日2012-12-04
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The cation-pi box is a specific phosphatidylcholine membrane targeting motif.
J.Biol.Chem., 288, 2013
4I9M
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Structure of the N254Y/H258Y mutant of the phosphatidylinositol-specific phospholipase C from Staphylococcus aureus bound to HEPES
分子名称: 1-phosphatidylinositol phosphodiesterase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION
著者Goldstein, R.I, Cheng, J, Stec, B, Gershenson, A, Roberts, M.F.
登録日2012-12-05
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The cation-pi box is a specific phosphatidylcholine membrane targeting motif.
J.Biol.Chem., 288, 2013
4I9T
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BU of 4i9t by Molmil
Structure of the H258Y mutant of the phosphatidylinositol-specific phospholipase C from Staphylococcus aureus
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, SULFATE ION, ...
著者Goldstein, R.I, Cheng, J, Stec, B, Gershenson, A, Roberts, M.F.
登録日2012-12-05
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The cation-pi box is a specific phosphatidylcholine membrane targeting motif.
J.Biol.Chem., 288, 2013

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