3P2P
 
 | | ENHANCED ACTIVITY AND ALTERED SPECIFICITY OF PHOSPHOLIPASE A2 BY DELETION OF A SURFACE LOOP | | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | | Authors: | Dijkstra, B.W, Thunnissen, M.M.G.M, Kalk, K.H, Drenth, J. | | Deposit date: | 1989-11-29 | | Release date: | 1990-01-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Enhanced activity and altered specificity of phospholipase A2 by deletion of a surface loop.
Science, 244, 1989
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4HIP
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4RDZ
 | | Crystal structure of VmoLac in P64 space group | | Descriptor: | COBALT (II) ION, GLYCEROL, MYRISTIC ACID, ... | | Authors: | Hiblot, J, Bzdrenga, J, Champion, C, Gotthard, G, Gonzalez, D, Chabriere, E, Elias, M. | | Deposit date: | 2014-09-20 | | Release date: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of VmoLac, a tentative quorum quenching lactonase from the extremophilic crenarchaeon Vulcanisaeta moutnovskia.
Sci Rep, 5, 2015
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4ZZO
 | | Human ERK2 in complex with an irreversible inhibitor | | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 1, N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide, SULFATE ION | | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | | Deposit date: | 2015-04-10 | | Release date: | 2015-05-27 | | Last modified: | 2015-08-26 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
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4RDY
 | | Crystal structure of VmoLac bound to 3-oxo-C10 AHL | | Descriptor: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide, COBALT (II) ION, GLYCEROL, ... | | Authors: | Hiblot, J, Bzdrenga, J, Champion, C, Gotthard, G, Gonzalez, D, Chabriere, E, Elias, M. | | Deposit date: | 2014-09-20 | | Release date: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of VmoLac, a tentative quorum quenching lactonase from the extremophilic crenarchaeon Vulcanisaeta moutnovskia.
Sci Rep, 5, 2015
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3MN8
 | | Structure of Drosophila melanogaster carboxypeptidase D isoform 1B short | | Descriptor: | (2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Tanco, S, Arolas, J.L, Guevara, T, Lorenzo, J, Aviles, F.X, Gomis-Ruth, F.X. | | Deposit date: | 2010-04-21 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-Function Analysis of the Short Splicing Variant Carboxypeptidase Encoded by Drosophila melanogaster silver.
J.Mol.Biol., 401, 2010
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4ZZN
 | | Human ERK2 in complex with an inhibitor | | Descriptor: | 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | | Deposit date: | 2015-04-10 | | Release date: | 2015-05-27 | | Last modified: | 2015-08-26 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
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4RE0
 | | Crystal structure of VmoLac in P622 space group | | Descriptor: | COBALT (II) ION, GLYCEROL, MYRISTIC ACID, ... | | Authors: | Hiblot, J, Bzdrenga, J, Champion, C, Gotthard, G, Gonzalez, D, Chabriere, E, Elias, M. | | Deposit date: | 2014-09-20 | | Release date: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of VmoLac, a tentative quorum quenching lactonase from the extremophilic crenarchaeon Vulcanisaeta moutnovskia.
Sci Rep, 5, 2015
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3SNL
 | | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | | Descriptor: | 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Malamas, M.S, Ni, Y, Erdei, J, Stange, H, Schindler, R, Lankau, H.-J, Grunwald, C, Fan, K.Y, Parris, K.D, Langen, B, Egerland, U, Hage, T, Marquis, K.L, Grauer, S, Brennan, J, Navarra, R, Graf, R, Harrison, B.L, Robichaud, A, Kronbach, T, Pangalos, M, Hofgen, N, Brandon, N.J. | | Deposit date: | 2011-06-29 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
J.Med.Chem., 54, 2011
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4DD8
 | | ADAM-8 metalloproteinase domain with bound batimastat | | Descriptor: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Hall, T, Shieh, H.S, Day, J.E, Caspers, N, Chrencik, J.E, Williams, J.M, Pegg, L.E, Pauley, A.M, Moon, A.F, Krahn, J.M, Fischer, D.H, Kiefer, J.R, Tomasselli, A.G, Zack, M.D. | | Deposit date: | 2012-01-18 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of human ADAM-8 catalytic domain complexed with batimastat.
Acta Crystallogr.,Sect.F, 68, 2012
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4ZZM
 | | Human ERK2 in complex with an irreversible inhibitor | | Descriptor: | 7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | | Deposit date: | 2015-04-10 | | Release date: | 2015-05-27 | | Last modified: | 2015-08-26 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
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5BKM
 | | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine) | | Descriptor: | Carboxylesterase A | | Authors: | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | Deposit date: | 2021-03-20 | | Release date: | 2022-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine)
To Be Published
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4HHG
 | | Crystal structure of the Pseudomonas aeruginosa azurin, RuH107NO YOH109 | | Descriptor: | Azurin, COPPER (II) ION, DELTA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE RUTHENIUM (II) | | Authors: | Herrera, N, Warren, J.J, Gray, H.B. | | Deposit date: | 2012-10-09 | | Release date: | 2012-11-21 | | Last modified: | 2013-08-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Electron Flow through Nitrotyrosinate in Pseudomonas aeruginosa Azurin.
J.Am.Chem.Soc., 135, 2013
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3SNI
 | | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | | Descriptor: | 2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Malamas, M.S, Ni, Y, Erdei, J, Stange, H, Schindler, R, Lankau, H.-J, Grunwald, C, Fan, K.Y, Parris, K.D, Langen, B, Egerland, U, Hage, T, Marquis, K.L, Grauer, S, Brennan, J, Navarra, R, Graf, R, Harrison, B.L, Robichaud, A, Kronbach, T, Pangalos, M, Hofgen, N, Brandon, N.J. | | Deposit date: | 2011-06-29 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
J.Med.Chem., 54, 2011
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3IXY
 | | The pseudo-atomic structure of dengue immature virus in complex with Fab fragments of the anti-fusion loop antibody E53 | | Descriptor: | E53 Fab Fragment (chain H), E53 Fab Fragment (chain L), Envelope protein E, ... | | Authors: | Cherrier, M.V, Kaufmann, B, Nybakken, G.E, Lok, S.M, Warren, J.T, Nelson, C.A, Kostyuchenko, V.A, Holdaway, H.A, Chipman, P.R, Kuhn, R.J, Diamond, M.S, Rossmann, M.G, Fremont, D.H. | | Deposit date: | 2009-02-26 | | Release date: | 2009-10-27 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (23 Å) | | Cite: | Structural basis for the preferential recognition of immature flaviviruses by a fusion-loop antibody
Embo J., 28, 2009
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3IXX
 | | The pseudo-atomic structure of West Nile immature virus in complex with Fab fragments of the anti-fusion loop antibody E53 | | Descriptor: | E53 Fab Fragment (chain H), E53 Fab Fragment (chain L), Envelope protein E, ... | | Authors: | Cherrier, M.V, Kaufmann, B, Nybakken, G.E, Lok, S.M, Warren, J.T, Nelson, C.A, Kostyuchenko, V.A, Holdaway, H.A, Chipman, P.R, Kuhn, R.J, Diamond, M.S, Rossmann, M.G, Fremont, D.H. | | Deposit date: | 2009-02-26 | | Release date: | 2009-10-27 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (15 Å) | | Cite: | Structural basis for the preferential recognition of immature flaviviruses by a fusion-loop antibody
Embo J., 28, 2009
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4BZB
 | | Crystal structure of the tetrameric dGTP-bound SAMHD1 mutant catalytic core | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION | | Authors: | Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y. | | Deposit date: | 2013-07-25 | | Release date: | 2013-10-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Mechanism of Allosteric Activation of Samhd1 by Dgtp
Nat.Struct.Mol.Biol., 20, 2013
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3T0Q
 | | Motor Domain Structure of the Kar3-like kinesin from Ashbya gossypii | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, AGR253Wp, ... | | Authors: | Duan, D, Hnatchuk, D.J, Brenner, J, Davis, D, Allingham, J.S. | | Deposit date: | 2011-07-20 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of the Kar3-like kinesin motor domain from the filamentous fungus Ashbya gossypii.
Proteins, 80, 2012
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5AQ0
 | | The structure of the Transthyretin-like domain of the first catalytic domain of the HUMAN Carboxypeptidase D | | Descriptor: | CARBOXYPEPTIDASE D, GLYCEROL | | Authors: | Gallego, P, Garcia-Pardo, J, Lorenzo, J, Aviles, F.X, Ventura, S, Reverter, D. | | Deposit date: | 2015-09-18 | | Release date: | 2016-09-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | The Structure of the Ttldomain of the Human Carboxypeptidase D
To be Published
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4BZC
 | | Crystal structure of the tetrameric dGTP-bound wild type SAMHD1 catalytic core | | Descriptor: | 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION, ... | | Authors: | Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y. | | Deposit date: | 2013-07-25 | | Release date: | 2013-10-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Mechanism of Allosteric Activation of Samhd1 by Dgtp
Nat.Struct.Mol.Biol., 20, 2013
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4KOO
 | | Crystal Structure of WHY1 from Arabidopsis thaliana | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NICKEL (II) ION, PHOSPHATE ION, ... | | Authors: | Cappadocia, L, Parent, J.S, Brisson, N, Sygusch, J. | | Deposit date: | 2013-05-12 | | Release date: | 2013-11-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | A family portrait: structural comparison of the Whirly proteins from Arabidopsis thaliana and Solanum tuberosum.
Acta Crystallogr.,Sect.F, 69, 2013
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3I50
 | | Crystal structure of the West Nile Virus envelope glycoprotein in complex with the E53 antibody Fab | | Descriptor: | Envelope glycoprotein, murine heavy chain (IgG3) of E53 monoclonal antibody Fab, murine kappa light chain of E53 monoclonal antibody Fab | | Authors: | Nybakken, G.E, Warren, J.T, Chen, B.R, Nelson, C.A, Fremont, D.H. | | Deposit date: | 2009-07-03 | | Release date: | 2009-10-27 | | Last modified: | 2013-09-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for the preferential recognition of immature flaviviruses by a fusion-loop antibody.
Embo J., 28, 2009
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5P2P
 | | X-RAY STRUCTURE OF PHOSPHOLIPASE A2 COMPLEXED WITH A SUBSTRATE-DERIVED INHIBITOR | | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2, PHOSPHONIC ACID 2-DODECANOYLAMINO-HEXYL ESTER PROPYL ESTER | | Authors: | Dijkstra, B.W, Thunnissen, M.M.G.M, Kalk, K.H, Drenth, J. | | Deposit date: | 1990-09-01 | | Release date: | 1991-10-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray structure of phospholipase A2 complexed with a substrate-derived inhibitor.
Nature, 347, 1990
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8CO8
 | | Structure of West Nile Virus NS2B-NS3 protease | | Descriptor: | Serine protease subunit NS2B,Serine protease/Helicase NS3 | | Authors: | Fairhead, M, Godoy, A.S, Koekemoer, L, Balcomb, B.H, Lithgo, R.M, Aschenbrenner, J.C, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-02-27 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure of West Nile Virus NS2B-NS3 protease - to be published
To Be Published
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4AT3
 | | CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH CPD5N | | Descriptor: | (5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide, BDNF/NT-3 GROWTH FACTORS RECEPTOR | | Authors: | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | | Deposit date: | 2012-05-03 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
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