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1RHZ
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BU of 1rhz by Molmil
The structure of a protein conducting channel
分子名称: Preprotein translocase secE subunit, Preprotein translocase secY subunit, SecBeta
著者van den Berg, B, Clemons Jr, W.M, Collinson, I, Modis, Y, Hartmann, E, Harrison, S.C, Rapoport, T.A.
登録日2003-11-15
公開日2004-01-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献X-ray structure of a protein-conducting channel.
Nature, 427, 2004
4MHA
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BU of 4mha by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1817
分子名称: 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide, CHLORIDE ION, MAGNESIUM ION, ...
著者Zhang, W, Mciver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, D.B.M, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, Dipaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X.
登録日2013-08-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56, 2013
4M3Q
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BU of 4m3q by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1917
分子名称: CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein kinase Mer, ...
著者Zhang, W, Zhang, D, Stashko, M.A, DeRyckere, D, Hunter, D, Kireev, D.B, Miley, M, Cummings, C, Lee, M, Norris-Drouin, J, Stewart, W.M, Sather, S, Zhou, Y, Kirkpatrick, G, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X.
登録日2013-08-06
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.718 Å)
主引用文献Pseudo-Cyclization through Intramolecular Hydrogen Bond Enables Discovery of Pyridine Substituted Pyrimidines as New Mer Kinase Inhibitors.
J.Med.Chem., 56, 2013
4MH7
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Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1896
分子名称: CHLORIDE ION, MAGNESIUM ION, N-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methylpyrimidine-5-carboxamide, ...
著者Zhang, W, McIver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, M.J, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, DiPaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X.
登録日2013-08-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56, 2013
4ORD
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Crystal Structure of Zebra Fish Thioesterase Superfamily Member 2
分子名称: Thioesterase Superfamily Member 2
著者Yu, S.S, Li, H, Gao, F, Xu, H, Gong, W.M.
登録日2014-02-11
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure and Potential Physiological Role of Zebra Fish Thioesterase Superfamily Member 2 (fTHEM2)
To be Published
6OVU
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Coiled-coil Trimer with Glu:3,4-difluorophenylalanine:Lys Triad
分子名称: Coiled-coil Trimer with Glu:3,4-difluorophenylalanine:Lys Triad
著者Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
登録日2019-05-08
公開日2020-04-29
最終更新日2020-05-20
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
6OFD
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The crystal structure of octadecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P, Kan, M.W.
登録日2019-03-29
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis.
Eur.J.Med.Chem., 182, 2019
6OV9
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Coiled-coil Trimer with Glu:p-nitrophenylalanine:Lys Triad
分子名称: Coiled-coil Trimer with Glu:p-nitrophenylalanine:Lys Triad
著者Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
登録日2019-05-07
公開日2020-04-29
最終更新日2020-05-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
6OVS
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Coiled-coil Trimer with Glu:Tyr:Lys Triad
分子名称: Coiled-coil Trimer with Glu:Tyr:Lys Triad, PENTAETHYLENE GLYCOL
著者Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
登録日2019-05-08
公開日2020-04-29
最終更新日2020-05-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
6OVV
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Coiled-coil Trimer with Glu:4-pyridinylalanine:Lys Triad
分子名称: Coiled-coil Trimer with Glu:4-pyridinylalanine:Lys Triad
著者Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
登録日2019-05-08
公開日2020-04-29
最終更新日2020-05-20
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
6OSD
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Coiled-coil Trimer with Glu:Phe:Lys Triad
分子名称: Coiled-coil Trimer with Glu:Phe:Lys Triad
著者Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
登録日2019-05-01
公開日2020-04-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
2KZH
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BU of 2kzh by Molmil
Three-dimensional structure of a truncated phosphoribosylanthranilate isomerase (residues 255-384) from Escherichia coli
分子名称: Tryptophan biosynthesis protein trpCF
著者Setiyaputra, S, Mackay, J.P, Patrick, W.M.
登録日2010-06-17
公開日2011-03-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Structure of a Truncated Phosphoribosylanthranilate Isomerase Suggests a Unified Model for Evolution of the (beta alpha)8 Barrel Fold
J.Mol.Biol., 408, 2011
6OF5
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The crystal structure of dodecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, ...
著者Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P.
登録日2019-03-28
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis.
Eur.J.Med.Chem., 182, 2019
6OS8
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Coiled-coil Trimer with Glu:p-fluorophenylalanine:Lys Triad
分子名称: Coiled-coil trimer with Glu:p-fluorophenylalanine:Lys Triad
著者Smith, M.S, Stern, K.L, Billings, W.M, Price, J.L.
登録日2019-05-01
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle.
Biochemistry, 59, 2020
3IK5
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SIVmac239 Nef in complex with TCR zeta ITAM 1 polypeptide (A63-R80)
分子名称: Protein Nef, T-cell surface glycoprotein CD3 zeta chain
著者Kim, W.M, Sigalov, A.B, Stern, L.J.
登録日2009-08-05
公開日2010-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Pseudo-merohedral twinning and noncrystallographic symmetry in orthorhombic crystals of SIVmac239 Nef core domain bound to different-length TCRzeta fragments.
Acta Crystallogr.,Sect.D, 66, 2010
3IK9
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Human GST A1-1-GIMF with GSDHN
分子名称: (S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid, Glutathione S-transferase A1
著者Balogh, L.M, Le Trong, I, Atkins, W.M, Stenkamp, R.E.
登録日2009-08-05
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate specificity combined with stereopromiscuity in glutathione transferase A4-4-dependent metabolism of 4-hydroxynonenal.
Biochemistry, 49, 2010
3IK7
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Human glutathione transferase a4-4 with GSDHN
分子名称: (S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid, Glutathione S-transferase A4, SULFATE ION
著者Balogh, L.M, Le Trong, I, Atkins, W.M, Stenkamp, R.E.
登録日2009-08-05
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Substrate specificity combined with stereopromiscuity in glutathione transferase A4-4-dependent metabolism of 4-hydroxynonenal.
Biochemistry, 49, 2010
3IOZ
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SIVmac239 Nef in complex with a TCR zeta polypeptide DP1 (L51-D93)
分子名称: Protein Nef, T-cell surface glycoprotein CD3 zeta chain
著者Kim, W.M, Sigalov, A.B, Stern, L.J.
登録日2009-08-15
公開日2010-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.699 Å)
主引用文献Pseudo-merohedral twinning and noncrystallographic symmetry in orthorhombic crystals of SIVmac239 Nef core domain bound to different-length TCRzeta fragments.
Acta Crystallogr.,Sect.D, 66, 2010
4ITX
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BU of 4itx by Molmil
P113S mutant of E. coli Cystathionine beta-lyase MetC inhibited by reaction with L-Ala-P
分子名称: CALCIUM ION, Cystathionine beta-lyase MetC, {1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-ETHYL}-PHOSPHONIC ACID
著者Squire, C.J, Yosaatmadja, Y, Soo, V.W.C, Patrick, W.M.
登録日2013-01-19
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes.
J.Biol.Chem., 291, 2016
8UOZ
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EmrE structure in the TPP-bound state (WT/E14Q heterodimer)
分子名称: SMR family multidrug efflux protein EmrE, TETRAPHENYLPHOSPHONIUM
著者Li, J, Sae Her, A, Besch, A, Ramirez, B, Crames, M, Banigan, J.R, Mueller, C, Marsiglia, W.M, Zhang, Y, Traaseth, N.J.
登録日2023-10-20
公開日2024-05-29
最終更新日2024-07-03
実験手法SOLID-STATE NMR, SOLUTION NMR
主引用文献Dynamics underlie the drug recognition mechanism by the efflux transporter EmrE.
Nat Commun, 15, 2024
8UWU
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EmrE structure in the proton-bound state (WT/L51I heterodimer)
分子名称: SMR family multidrug efflux protein EmrE
著者Li, J, Sae Her, A, Besch, A, Ramirez, B, Crames, M, Banigan, J.R, Mueller, C, Marsiglia, W.M, Zhang, Y, Traaseth, N.J.
登録日2023-11-08
公開日2024-05-29
最終更新日2024-07-03
実験手法SOLID-STATE NMR, SOLUTION NMR
主引用文献Dynamics underlie the drug recognition mechanism by the efflux transporter EmrE.
Nat Commun, 15, 2024
3I6A
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Human GST A1-1 GIMF mutant with Glutathione
分子名称: GLUTATHIONE, Glutathione S-transferase A1
著者Balogh, L.M, Le Trong, I, Stenkamp, R.E, Atkins, W.M.
登録日2009-07-06
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural analysis of a glutathione transferase A1-1 mutant tailored for high catalytic efficiency with toxic alkenals.
Biochemistry, 48, 2009
4GTN
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Structure of anthranilate phosphoribosyl transferase from acinetobacter baylyi
分子名称: Anthranilate phosphoribosyltransferase
著者Ponniah, K, Nigon, L.V, Anderson, B.F, Norris, G.E, Patrick, W.M.
登録日2012-08-28
公開日2013-08-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.032 Å)
主引用文献Structure of anthranilate phosphoribosyl transferase from acinetobacter baylyi
To be Published
4JO6
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Streptavidin complex with SBP-Tag
分子名称: SBP-Tag, Streptavidin
著者Barrette-Ng, I.H, Wu, S.C, Tjia, W.M, Wong, S.L, Ng, K.K.S.
登録日2013-03-17
公開日2013-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The structure of the SBP-Tag-streptavidin complex reveals a novel helical scaffold bridging binding pockets on separate subunits
Acta Crystallogr.,Sect.D, 69, 2013
3I69
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Apo Glutathione Transferase A1-1 GIMF-helix mutant
分子名称: GLUTATHIONE, Glutathione S-transferase A1
著者Balogh, L.M, Le Trong, I, Stenkamp, R.E, Atkins, W.M.
登録日2009-07-06
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural analysis of a glutathione transferase A1-1 mutant tailored for high catalytic efficiency with toxic alkenals.
Biochemistry, 48, 2009

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