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6SHV
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BU of 6shv by Molmil
T. cruzi FPPS in complex with 5-(4-fluorophenoxy)pyridin-2-amine
分子名称: 5-(4-fluoranylphenoxy)pyridin-2-amine, Farnesyl diphosphate synthase, SULFATE ION, ...
著者Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W.
登録日2019-08-08
公開日2020-08-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.808 Å)
主引用文献Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
5MVZ
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BU of 5mvz by Molmil
Fab 4AB007 bound to Interleukin-1-beta
分子名称: Fab 4AB007 H-chain, Fab 4AB007 L-chain, GLYCEROL, ...
著者Stark, W, Seibert, V.
登録日2017-01-17
公開日2017-02-15
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of a novel, fully Human Fab binding to Interleukin 1-beta.
To Be Published
3CC9
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BU of 3cc9 by Molmil
Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate
分子名称: GERANYLGERANYL DIPHOSPHATE, Putative farnesyl pyrophosphate synthase, SODIUM ION
著者Wernimont, A.K, Dunford, J, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
登録日2008-02-25
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate.
To be Published
3CEJ
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BU of 3cej by Molmil
Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE2865
分子名称: 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid, Glycogen phosphorylase, liver form, ...
著者Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D.
登録日2008-02-29
公開日2008-05-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors.
Biochemistry, 47, 2008
3EZ3
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BU of 3ez3 by Molmil
Crystal Structure of Plasmodium vivax geranylgeranylpyrophosphate synthase PVX_092040 with zoledronate and IPP bound
分子名称: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
著者Wernimont, A.K, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
登録日2008-10-22
公開日2008-12-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Crystal Structure of Plasmodium vivax geranylgeranylpyrophosphate synthase PVX_092040 with zoledronate and IPP bound
TO BE PUBLISHED
3CUV
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BU of 3cuv by Molmil
Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides
分子名称: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
著者Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
登録日2008-04-17
公開日2009-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides
To be Published
6T7N
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BU of 6t7n by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase in complex with IPP and Mn
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl diphosphate synthase, MANGANESE (II) ION
著者Magari, F, Heine, A, Klebe, G.
登録日2019-10-22
公開日2020-11-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Trypanosoma cruzi farnesyl diphosphate synthase in complex with IPP and Mn
To Be Published
6T9D
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BU of 6t9d by Molmil
Crystal structure of a bispecific DutaFab in complex with human VEGF121
分子名称: VP mat DutaFab VH chain, VP mat DutaFab VL chain, Vascular endothelial growth factor A
著者Kimbung, R, Logan, D.T, Beckmann, R, Jensen, K, Speck, J, Fenn, S, Kettenberger, H.
登録日2019-10-28
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.905 Å)
主引用文献DutaFabs are engineered therapeutic Fab fragments that can bind two targets simultaneously.
Nat Commun, 12, 2021
3F65
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BU of 3f65 by Molmil
The F4 fimbrial chaperone FaeE does not self-cap its interactive surfaces
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Chaperone protein faeE, PHOSPHATE ION
著者Van Molle, I, Moonens, K, Buts, L, Garcia-Pino, A, Wyns, L, De Greve, H, Bouckaert, J.
登録日2008-11-05
公開日2009-05-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The F4 fimbrial chaperone FaeE is stable as a monomer that does not require self-capping of its pilin-interactive surfaces
Acta Crystallogr.,Sect.D, 65, 2009
6G31
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BU of 6g31 by Molmil
Crystal structure of human geranylgeranyl diphosphate synthase mutant D188Y bound to zoledronate
分子名称: Geranylgeranyl pyrophosphate synthase, MAGNESIUM ION, ZOLEDRONIC ACID
著者Lisnyansky, M, Kapelushnik, N, Ben-Bassat, A, Marom, M, Loewenstein, A, Khananshvili, D, Giladi, M, Haitin, Y.
登録日2018-03-24
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Reduced Activity of Geranylgeranyl Diphosphate Synthase Mutant Is Involved in Bisphosphonate-Induced Atypical Fractures.
Mol. Pharmacol., 94, 2018
2Z4X
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BU of 2z4x by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252 (P21)
分子名称: (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
著者Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J.
登録日2007-06-26
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
3CUW
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BU of 3cuw by Molmil
Crystal structure of glycogen phosphorylase b in complex with N-(-D-glucopyranosyl)-N'-(2-naphthyl)oxamides
分子名称: Glycogen phosphorylase, muscle form, N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine
著者Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
登録日2008-04-17
公開日2009-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides
To be Published
2Z7I
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BU of 2z7i by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor BPH-742
分子名称: (2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
著者Guo, R.T, Chen, C.K.-M, Ko, T.-P, Cao, R, Hudock, M, Oldfield, E, Wang, A.H.-J.
登録日2007-08-23
公開日2008-07-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
2Z4W
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BU of 2z4w by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-749
分子名称: Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, [(6E,11E)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid)
著者Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J.
登録日2007-06-26
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
3CEH
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BU of 3ceh by Molmil
Human liver glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE5688
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid, Glycogen phosphorylase, ...
著者Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D.
登録日2008-02-29
公開日2008-05-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors.
Biochemistry, 47, 2008
3CEM
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BU of 3cem by Molmil
Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE9423
分子名称: 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Glycogen phosphorylase, liver form, ...
著者Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D.
登録日2008-02-29
公開日2008-05-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors.
Biochemistry, 47, 2008
3CUU
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BU of 3cuu by Molmil
Crystal structure of glycogen phosphorylase b in complex with N-(-D-glucopyranosyl)-N'-(2-naphthyl)oxamides
分子名称: Glycogen phosphorylase, muscle form, N-[(naphthalen-1-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine
著者Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
登録日2008-04-17
公開日2009-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides
To be Published
7LBJ
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BU of 7lbj by Molmil
Crystal structure of octaprenyl diphosphate synthase from Stenotrophomonas maltophilia
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Geranyltranstransferase
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-01-08
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of octaprenyl diphosphate synthase from Stenotrophomonas maltophilia
to be published
3G2N
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BU of 3g2n by Molmil
Crystal structure of N-acylglucosylamine with glycogen phosphorylase
分子名称: Glycogen phosphorylase, muscle form, N-(phenylcarbonyl)-beta-D-glucopyranosylamine
著者Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
登録日2009-01-31
公開日2010-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
7LL8
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BU of 7ll8 by Molmil
D-Protein RFX-V1 Bound to the VEGFR1 Domain 2 Site on VEGF-A
分子名称: Isoform L-VEGF189 of Vascular endothelial growth factor A, RFX-V1
著者Marinec, P.S, Landgraf, K.E, Uppalapati, M, Chen, G, Xie, D, Jiang, Q, Zhao, Y, Petriello, A, Deshayes, K, Kent, S.B.H, Ault-Riche, D, Sidhu, S.S.
登録日2021-02-03
公開日2021-02-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A Non-immunogenic Bivalent d-Protein Potently Inhibits Retinal Vascularization and Tumor Growth.
Acs Chem.Biol., 16, 2021
7LL9
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BU of 7ll9 by Molmil
D-Protein RFX-V2 Bound to the VEGFR1 Domain 3 Site on VEGF-A
分子名称: Isoform L-VEGF189 of Vascular endothelial growth factor A, RFX-V2
著者Marinec, P.S, Landgraf, K.E, Uppalapati, M, Chen, G, Xie, D, Jiang, Q, Zhao, Y, Petriello, A, Deshayes, K, Kent, S.B.H, Ault-Riche, D, Sidhu, S.S.
登録日2021-02-03
公開日2021-03-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Non-immunogenic Bivalent d-Protein Potently Inhibits Retinal Vascularization and Tumor Growth.
Acs Chem.Biol., 16, 2021
3G2L
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BU of 3g2l by Molmil
Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex with glycogen phosphorylase
分子名称: 1-beta-D-glucopyranosyl-4-naphthalen-1-yl-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form
著者Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
登録日2009-01-31
公開日2010-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
2WRY
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BU of 2wry by Molmil
Crystal structure of chicken cytokine interleukin 1 beta
分子名称: INTERLEUKIN-1BETA
著者Lu, W.S, Cheng, C.S, Lyu, P.C, Lee, L.H, Wang, W.C, Yin, H.S.
登録日2009-09-03
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural and Functional Comparison of Cytokine Interleukin-1 Beta from Chicken and Human.
Mol.Immunol., 48, 2011
3CUT
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BU of 3cut by Molmil
Crystal structure of glycogen phosphorylase b in complex with N-(-D-glucopyranosyl)-N'-(2-naphthyl)oxamide
分子名称: Glycogen phosphorylase, muscle form, N-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine
著者Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
登録日2008-04-17
公開日2009-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides
To be Published
3GEW
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BU of 3gew by Molmil
FaeE-FaeG chaperone-major pilin complex of F4 ad fimbriae
分子名称: Chaperone protein faeE, GLYCEROL, K88 fimbrial protein AD, ...
著者Van Molle, I, Moonens, K, Garcia-Pino, A, Buts, L, Bouckaert, J, De Greve, H.
登録日2009-02-26
公開日2009-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and thermodynamic characterization of pre- and postpolymerization states in the F4 fimbrial subunit FaeG
J.Mol.Biol., 394, 2009

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