3G0B
 
 | | Crystal structure of dipeptidyl peptidase IV in complex with TAK-322 | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2009-01-27 | | Release date: | 2010-02-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
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3G0C
 | | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1 | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2009-01-27 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
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3DD5
 | | Glomerella cingulata E600-cutinase complex | | Descriptor: | Cutinase, DIETHYL PHOSPHONATE | | Authors: | 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. | | Deposit date: | 2008-06-05 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 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
 | | Glomerella cingulata apo cutinase | | Descriptor: | Cutinase | | Authors: | 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. | | Deposit date: | 2008-06-04 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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
 | | Glomerella cingulata PETFP-cutinase complex | | Descriptor: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one, Cutinase | | Authors: | 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. | | Deposit date: | 2008-06-09 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
 | | 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 | | Descriptor: | 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ... | | Authors: | 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. | | Deposit date: | 2013-12-03 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | 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
 | | 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 | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | 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. | | Deposit date: | 2014-01-16 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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
 | | New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid) | | Authors: | 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. | | Deposit date: | 2014-06-23 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | 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
 | | Crystal structure of human DPP-4 | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2007-01-23 | | Release date: | 2008-03-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of alogliptin: a potent, selective, bioavailable, and efficacious inhibitor of dipeptidyl peptidase IV.
J.Med.Chem., 50, 2007
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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 | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | 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. | | Deposit date: | 2014-04-05 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | 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
 | | VP16, a capsid protein of bacteriophage P23-77 (VP16-virus-derived) | | Descriptor: | CHLORIDE ION, VP16 | | Authors: | Rissanen, I, Grimes, J.M, Pawlowski, A, Mantynen, S, Harlos, K, Bamford, J.K.H, Stuart, D.I. | | Deposit date: | 2013-02-13 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | 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
 | | Crystal structure of designed cPPR-polyA protein | | Descriptor: | Pentatricopeptide repeat protein | | Authors: | Coquille, S.C, Filipovska, A, Chia, T.S, Rajappa, L, Lingford, J.P, Razif, M.F.M, Thore, S, Rackham, O. | | Deposit date: | 2014-10-10 | | Release date: | 2014-12-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.85 Å) | | Cite: | An artificial PPR scaffold for programmable RNA recognition.
Nat Commun, 5, 2014
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4WSL
 | | Crystal structure of designed cPPR-polyC protein | | Descriptor: | Pentatricopeptide repeat protein | | Authors: | Coquille, S.C, Filipovska, A, Chia, T.S, Rajappa, L, Lingford, J.P, Razif, M.F.M, Thore, S, Rackham, O. | | Deposit date: | 2014-10-28 | | Release date: | 2014-12-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | An artificial PPR scaffold for programmable RNA recognition.
Nat Commun, 5, 2014
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6V1D
 | | Crystal structure of human trefoil factor 1 | | Descriptor: | Trefoil factor 1 | | Authors: | Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D. | | Deposit date: | 2019-11-20 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
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3ZN6
 | | VP16-VP17 complex, a complex of the two major capsid proteins of bacteriophage P23-77 | | Descriptor: | CHLORIDE ION, SODIUM ION, VP16, ... | | Authors: | Rissanen, I, Grimes, J.M, Pawlowski, A, Mantynen, S, Harlos, K, Bamford, J.K.H, Stuart, D.I. | | Deposit date: | 2013-02-13 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | 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
 | | VP17, a capsid protein of bacteriophage P23-77 | | Descriptor: | VP17 | | Authors: | Rissanen, I, Grimes, J.M, Pawlowski, A, Mantynen, S, Harlos, K, Bamford, J.K.H, Stuart, D.I. | | Deposit date: | 2013-02-11 | | Release date: | 2013-05-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | 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
 | | VP16, a capsid protein of bacteriophage P23-77 (VP16-type-2) | | Descriptor: | CHLORIDE ION, CITRIC ACID, VP16 | | Authors: | Rissanen, I, Grimes, J.M, Pawlowski, A, Mantynen, S, Harlos, K, Bamford, J.K.H, Stuart, D.I. | | Deposit date: | 2013-02-13 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | 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
 | | VP16, a capsid protein of bacteriophage P23-77 (VP16-type-1) | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | | Authors: | Rissanen, I, Grimes, J.M, Pawlowski, A, Mantynen, S, Harlos, K, Bamford, J.K.H, Stuart, D.I. | | Deposit date: | 2013-02-11 | | Release date: | 2013-05-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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
 | | Crystal structure of human trefoil factor 3 in complex with its cognate ligand | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, Trefoil factor 3 | | Authors: | Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D. | | Deposit date: | 2019-11-20 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
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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 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Farnesyl pyrophosphate synthase, ... | | Authors: | 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. | | Deposit date: | 2013-11-12 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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
 | | 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 | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | | Authors: | 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. | | Deposit date: | 2013-11-01 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | 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
 | | The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates | | Descriptor: | 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ... | | Authors: | 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. | | Deposit date: | 2013-10-21 | | Release date: | 2014-10-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | 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
 | | 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 | | Descriptor: | 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ... | | Authors: | 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. | | Deposit date: | 2013-11-12 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | 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
 | | Crystal structure of human geranylgeranyl pyrophosphate synthase bound to GGPP | | Descriptor: | GERANYLGERANYL DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | 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) | | Deposit date: | 2007-06-08 | | Release date: | 2007-06-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 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
 | | Crystal Structure of AMA1 from Babesia divergens | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, APICAL MEMBRANE ANTIGEN 1, ... | | Authors: | Tonkin, M.L, Crawford, J, Lebrun, M.L, Boulanger, M.J. | | Deposit date: | 2012-04-04 | | Release date: | 2012-12-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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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