3G0B
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![BU of 3g0b by Molmil](/molmil-images/mine/3g0b) | Crystal structure of dipeptidyl peptidase IV in complex with TAK-322 | 分子名称: | 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | 登録日 | 2009-01-27 | 公開日 | 2010-02-16 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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3G0C
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![BU of 3g0c by Molmil](/molmil-images/mine/3g0c) | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione, ... | 著者 | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | 登録日 | 2009-01-27 | 公開日 | 2010-02-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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3DD5
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![BU of 3dd5 by Molmil](/molmil-images/mine/3dd5) | Glomerella cingulata E600-cutinase complex | 分子名称: | Cutinase, DIETHYL PHOSPHONATE | 著者 | Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J. | 登録日 | 2008-06-05 | 公開日 | 2008-11-18 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad J.Mol.Biol., 385, 2009
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3DCN
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![BU of 3dcn by Molmil](/molmil-images/mine/3dcn) | Glomerella cingulata apo cutinase | 分子名称: | Cutinase | 著者 | Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J. | 登録日 | 2008-06-04 | 公開日 | 2008-11-18 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad J.Mol.Biol., 385, 2009
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3DEA
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![BU of 3dea by Molmil](/molmil-images/mine/3dea) | Glomerella cingulata PETFP-cutinase complex | 分子名称: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one, Cutinase | 著者 | Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J. | 登録日 | 2008-06-09 | 公開日 | 2008-11-18 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad J.Mol.Biol., 385, 2009
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4NUA
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![BU of 4nua by Molmil](/molmil-images/mine/4nua) | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates | 分子名称: | 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ... | 著者 | Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E. | 登録日 | 2013-12-03 | 公開日 | 2014-11-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates To be Published
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4OGU
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![BU of 4ogu by Molmil](/molmil-images/mine/4ogu) | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates | 分子名称: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | 著者 | Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E. | 登録日 | 2014-01-16 | 公開日 | 2015-01-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates To be Published
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4QPF
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![BU of 4qpf by Molmil](/molmil-images/mine/4qpf) | New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption | 分子名称: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid) | 著者 | Ebetino, F.H, Lundy, M, Kwaasi, A.A, Dunford, J.E, Duan, Z, Triffitt, J, Mazur, A, Jeans, G, Barnett, B.L, Russell, R.G.G. | 登録日 | 2014-06-23 | 公開日 | 2015-06-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption To be Published
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2ONC
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![BU of 2onc by Molmil](/molmil-images/mine/2onc) | Crystal structure of human DPP-4 | 分子名称: | 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Feng, J, Zhang, Z, Wallace, M.B, Stafford, J.A, Kaldor, S.W, Kassel, D.B, Navre, M, Shi, L, Skene, R.J, Asakawa, T, Takeuchi, K, Xu, R, Webb, D.R, Gwaltney, S.L. | 登録日 | 2007-01-23 | 公開日 | 2008-03-04 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of alogliptin: a potent, selective, bioavailable, and efficacious inhibitor of dipeptidyl peptidase IV. J.Med.Chem., 50, 2007
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4Q23
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![BU of 4q23 by Molmil](/molmil-images/mine/4q23) | The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates | 分子名称: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | 著者 | Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Kwaasi, A.A, Pilka, E.S, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, von Delft, F, Oppermann, U, Russell, R.G.G, Dunford, J.E. | 登録日 | 2014-04-05 | 公開日 | 2015-03-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates To be Published
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3ZN5
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![BU of 3zn5 by Molmil](/molmil-images/mine/3zn5) | VP16, a capsid protein of bacteriophage P23-77 (VP16-virus-derived) | 分子名称: | CHLORIDE ION, VP16 | 著者 | Rissanen, I, Grimes, J.M, Pawlowski, A, Mantynen, S, Harlos, K, Bamford, J.K.H, Stuart, D.I. | 登録日 | 2013-02-13 | 公開日 | 2013-05-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Bacteriophage P23-77 Capsid Protein Structures Reveal the Archetype of an Ancient Branch from a Major Virus Lineage. Structure, 21, 2013
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4WN4
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![BU of 4wn4 by Molmil](/molmil-images/mine/4wn4) | Crystal structure of designed cPPR-polyA protein | 分子名称: | Pentatricopeptide repeat protein | 著者 | Coquille, S.C, Filipovska, A, Chia, T.S, Rajappa, L, Lingford, J.P, Razif, M.F.M, Thore, S, Rackham, O. | 登録日 | 2014-10-10 | 公開日 | 2014-12-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.85 Å) | 主引用文献 | An artificial PPR scaffold for programmable RNA recognition. Nat Commun, 5, 2014
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4WSL
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![BU of 4wsl by Molmil](/molmil-images/mine/4wsl) | Crystal structure of designed cPPR-polyC protein | 分子名称: | Pentatricopeptide repeat protein | 著者 | Coquille, S.C, Filipovska, A, Chia, T.S, Rajappa, L, Lingford, J.P, Razif, M.F.M, Thore, S, Rackham, O. | 登録日 | 2014-10-28 | 公開日 | 2014-12-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | An artificial PPR scaffold for programmable RNA recognition. Nat Commun, 5, 2014
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6V1D
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![BU of 6v1d by Molmil](/molmil-images/mine/6v1d) | Crystal structure of human trefoil factor 1 | 分子名称: | Trefoil factor 1 | 著者 | Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D. | 登録日 | 2019-11-20 | 公開日 | 2019-12-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Trefoil factors share a lectin activity that defines their role in mucus. Nat Commun, 11, 2020
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3ZN6
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![BU of 3zn6 by Molmil](/molmil-images/mine/3zn6) | VP16-VP17 complex, a complex of the two major capsid proteins of bacteriophage P23-77 | 分子名称: | CHLORIDE ION, SODIUM ION, VP16, ... | 著者 | Rissanen, I, Grimes, J.M, Pawlowski, A, Mantynen, S, Harlos, K, Bamford, J.K.H, Stuart, D.I. | 登録日 | 2013-02-13 | 公開日 | 2013-05-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Bacteriophage P23-77 Capsid Protein Structures Reveal the Archetype of an Ancient Branch from a Major Virus Lineage. Structure, 21, 2013
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3ZMN
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![BU of 3zmn by Molmil](/molmil-images/mine/3zmn) | VP17, a capsid protein of bacteriophage P23-77 | 分子名称: | VP17 | 著者 | Rissanen, I, Grimes, J.M, Pawlowski, A, Mantynen, S, Harlos, K, Bamford, J.K.H, Stuart, D.I. | 登録日 | 2013-02-11 | 公開日 | 2013-05-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Bacteriophage P23-77 Capsid Protein Structures Reveal the Archetype of an Ancient Branch from a Major Virus Lineage. Structure, 21, 2013
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3ZN4
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![BU of 3zn4 by Molmil](/molmil-images/mine/3zn4) | VP16, a capsid protein of bacteriophage P23-77 (VP16-type-2) | 分子名称: | CHLORIDE ION, CITRIC ACID, VP16 | 著者 | Rissanen, I, Grimes, J.M, Pawlowski, A, Mantynen, S, Harlos, K, Bamford, J.K.H, Stuart, D.I. | 登録日 | 2013-02-13 | 公開日 | 2013-05-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Bacteriophage P23-77 Capsid Protein Structures Reveal the Archetype of an Ancient Branch from a Major Virus Lineage. Structure, 21, 2013
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3ZMO
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![BU of 3zmo by Molmil](/molmil-images/mine/3zmo) | VP16, a capsid protein of bacteriophage P23-77 (VP16-type-1) | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | 著者 | Rissanen, I, Grimes, J.M, Pawlowski, A, Mantynen, S, Harlos, K, Bamford, J.K.H, Stuart, D.I. | 登録日 | 2013-02-11 | 公開日 | 2013-05-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Bacteriophage P23-77 Capsid Protein Structures Reveal the Archetype of an Ancient Branch from a Major Virus Lineage. Structure, 21, 2013
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6V1C
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![BU of 6v1c by Molmil](/molmil-images/mine/6v1c) | Crystal structure of human trefoil factor 3 in complex with its cognate ligand | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, Trefoil factor 3 | 著者 | Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D. | 登録日 | 2019-11-20 | 公開日 | 2019-12-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Trefoil factors share a lectin activity that defines their role in mucus. Nat Commun, 11, 2020
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4NKF
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![BU of 4nkf by Molmil](/molmil-images/mine/4nkf) | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Farnesyl pyrophosphate synthase, ... | 著者 | Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E. | 登録日 | 2013-11-12 | 公開日 | 2014-11-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates To be Published
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4NG6
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![BU of 4ng6 by Molmil](/molmil-images/mine/4ng6) | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates | 分子名称: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | 著者 | Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Pilka, E, Kwaasi, A.A, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, Oppermann, U, Russell, R.G.G, Dunford, J.E. | 登録日 | 2013-11-01 | 公開日 | 2014-11-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates TO BE PUBLISHED
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4N9U
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![BU of 4n9u by Molmil](/molmil-images/mine/4n9u) | The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates | 分子名称: | 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ... | 著者 | Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Pilka, E, Kwaasi, A.A, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, Oppermann, U, Russell, R.G.G, Dunford, J.E. | 登録日 | 2013-10-21 | 公開日 | 2014-10-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates TO BE PUBLISHED
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4NKE
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![BU of 4nke by Molmil](/molmil-images/mine/4nke) | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates | 分子名称: | 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ... | 著者 | Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E. | 登録日 | 2013-11-12 | 公開日 | 2014-11-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates To be Published
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2Q80
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![BU of 2q80 by Molmil](/molmil-images/mine/2q80) | Crystal structure of human geranylgeranyl pyrophosphate synthase bound to GGPP | 分子名称: | GERANYLGERANYL DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | 著者 | Kavanagh, K.L, Dunford, J.E, Bunkoczi, G, Smee, C, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2007-06-08 | 公開日 | 2007-06-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The crystal structure of human geranylgeranyl pyrophosphate synthase reveals a novel hexameric arrangement and inhibitory product binding J.Biol.Chem., 281, 2006
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4APM
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![BU of 4apm by Molmil](/molmil-images/mine/4apm) | Crystal Structure of AMA1 from Babesia divergens | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, APICAL MEMBRANE ANTIGEN 1, ... | 著者 | Tonkin, M.L, Crawford, J, Lebrun, M.L, Boulanger, M.J. | 登録日 | 2012-04-04 | 公開日 | 2012-12-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Babesia Divergens and Neospora Caninum Apical Membrane Antigen 1 (Ama1) Structures Reveal Selectivity and Plasticity in Apicomplexan Parasite Host Cell Invasion. Protein Sci., 22, 2013
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