4CFQ
 
 | | Ca-bound truncated (delta13C) and C3S, C81S and C86S mutated S100A4 complexed with non-muscle myosin IIA | | Descriptor: | CALCIUM ION, MYOSIN-9, PROTEIN S100-A4 | | Authors: | Duelli, A, Kiss, B, Lundholm, I, Bodor, A, Radnai, L, Petoukhov, M, Svergun, D, Nyitray, L, Katona, G. | | Deposit date: | 2013-11-19 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | The C-Terminal Random Coil Region Tunes the Ca2+-Binding Affinity of S100A4 Through Conformational Activation.
Plos One, 9, 2014
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4BZO
 | | Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone inhibitor | | Descriptor: | N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE, SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Casale, E, Casuscelli, F, Ardini, E, Avanzi, N, Cervi, G, D'Anello, M, Donati, D, Faiardi, D, Ferguson, R.D, Fogliatto, G, Galvani, A, Marsiglio, A, Mirizzi, D.G, Montemartini, M, Orrenius, C, Papeo, G, Piutti, C, Salom, B, Felder, E.R. | | Deposit date: | 2013-07-29 | | Release date: | 2013-10-30 | | Last modified: | 2013-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Optimization of Pyrrolo[1,2-A]Pyrazinones Leads to Novel and Selective Inhibitors of Pim Kinases.
Bioorg.Med.Chem., 21, 2013
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4CFR
 | | Ca-bound S100A4 C3S, C81S, C86S and F45W mutant complexed with non- muscle myosin IIA | | Descriptor: | CALCIUM ION, MYOSIN-9, PROTEIN S100-A4 | | Authors: | Duelli, A, Kiss, B, Lundholm, I, Bodor, A, Radnai, L, Petoukhov, M, Svergun, D, Nyitray, L, Katona, G. | | Deposit date: | 2013-11-19 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The C-Terminal Random Coil Region Tunes the Ca2+-Binding Affinity of S100A4 Through Conformational Activation.
Plos One, 9, 2014
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3UY9
 | | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | | Descriptor: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2011-12-06 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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4C02
 | | Crystal structure of human ACVR1 (ALK2) in complex with FKBP12.6 and dorsomorphin | | Descriptor: | 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, ACTIVIN RECEPTOR TYPE-1, ... | | Authors: | Williams, E, Riesebos, E, Vollmar, M, Krojer, T, Bradley, A, Shrestha, L, Kupinska, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2013-07-31 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Crystal Structure of Human Acvr1 (Alk2) in Complex with Fkbp12.6 And Dorsomorphin
Ph D Thesis
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4C4Z
 | | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A8 | | Descriptor: | 1-ethyl-3-naphthalen-1-ylurea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | | Authors: | Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. | | Deposit date: | 2013-09-09 | | Release date: | 2014-10-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4C4Y
 | | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A4 | | Descriptor: | 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | | Authors: | Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. | | Deposit date: | 2013-09-09 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4C4X
 | | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with C9 | | Descriptor: | 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | | Authors: | Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. | | Deposit date: | 2013-09-09 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
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2JDN
 | | Mutant (S22A) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-a-L-mannopyranoside | | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ... | | Authors: | Adam, J, Pokorna, M, Sabin, C, Mitchell, E.P, Imberty, A, Wimmerova, M. | | Deposit date: | 2007-01-11 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Engineering of Pa-Iil Lectin from Pseudomonas Aeruginosa - Unravelling the Role of the Specificity Loop for Sugar Preference.
Bmc Struct.Biol., 7, 2007
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4BWB
 | | Structure of Evolved Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion | | Descriptor: | NEUROTENSIN, NEUROTENSIN RECEPTOR TYPE 1 | | Authors: | Egloff, P, Hillenbrand, M, Scott, D.J, Schlinkmann, K.M, Heine, P, Balada, S, Batyuk, A, Mittl, P, Plueckthun, A. | | Deposit date: | 2013-07-01 | | Release date: | 2014-01-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.57 Å) | | Cite: | Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli
Proc.Natl.Acad.Sci.USA, 111, 2014
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4BTL
 | | Aromatic interactions in acetylcholinesterase-inhibitor complexes | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... | | Authors: | Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Qian, W, Engdahl, C, Berg, L, Ekstrom, F, Linusson, A. | | Deposit date: | 2013-06-18 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
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2FJC
 | | Crystal structure of antigen TpF1 from Treponema pallidum | | Descriptor: | Antigen TpF1, FE (III) ION | | Authors: | Thumiger, A, Polenghi, A, Papinutto, E, Battistutta, R, Montecucco, C, Zanotti, G. | | Deposit date: | 2006-01-02 | | Release date: | 2006-01-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of antigen TpF1 from Treponema pallidum.
Proteins, 62, 2006
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2JDY
 | | Mutant (G24N) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-b-D-mannoyranoside | | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, methyl alpha-D-mannopyranoside | | Authors: | Adam, J, Pokorna, M, Sabin, C, Mitchell, E.P, Imberty, A, Wimmerova, M. | | Deposit date: | 2007-01-12 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Engineering of Pa-Iil Lectin from Pseudomonas Aeruginosa - Unravelling the Role of the Specificity Loop for Sugar Preference.
Bmc Struct.Biol., 7, 2007
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4BOW
 | | Crystal structure of LamA_E269S from Z. galactanivorans in complex with laminaritriose and laminaritetraose | | Descriptor: | CALCIUM ION, ENDO-1,3-BETA-GLUCANASE, FAMILY GH16, ... | | Authors: | Labourel, A, Jeudy, A, Czjzek, M, Michel, G. | | Deposit date: | 2013-05-22 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The Beta-Glucanase Zglama from Zobellia Galactanivorans Evolved a Bent Active Site Adapted for Efficient Degradation of Algal Laminarin
J.Biol.Chem., 289, 2014
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2JDP
 | | Mutant (S23A) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-a-L-fucopyranoside | | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, methyl alpha-L-fucopyranoside | | Authors: | Adam, J, Pokorna, M, Sabin, C, Mitchell, E.P, Imberty, A, Wimmerova, M. | | Deposit date: | 2007-01-11 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Engineering of Pa-Iil Lectin from Pseudomonas Aeruginosa - Unravelling the Role of the Specificity Loop for Sugar Preference.
Bmc Struct.Biol., 7, 2007
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4C9Y
 | | Structural Basis for the microtubule binding of the human kinetochore Ska complex | | Descriptor: | SPINDLE AND KINETOCHORE-ASSOCIATED PROTEIN 1 | | Authors: | Abad, M, Medina, B, Santamaria, A, Zou, J, Plasberg-Hill, C, Madhumalar, A, Jayachandran, U, Redli, P.M, Rappsilber, J, Nigg, E.A, Jeyaprakash, A.A. | | Deposit date: | 2013-10-04 | | Release date: | 2014-01-22 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural Basis for Microtubule Recognition by the Human Kinetochore Ska Complex.
Nat.Commun., 5, 2014
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4BQ1
 | | Crystal structure of of LamAcat from Zobellia galactanivorans | | Descriptor: | CALCIUM ION, ENDO-1,3-BETA-GLUCANASE, FAMILY GH16, ... | | Authors: | Labourel, A, Jam, M, Jeudy, A, Michel, G, Czjzek, M. | | Deposit date: | 2013-05-29 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Beta Glucanase Zglama from Zobellia Galactanivorans Evolved a Bent Active Site Adapted for Efficient Degradation of Algal Laminarin
J.Biol.Chem., 289, 2014
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4EOM
 | | Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | Deposit date: | 2012-04-14 | | Release date: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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4EOI
 | | Thr 160 phosphorylated CDK2 K89D, Q131E - human cyclin A3 complex with the inhibitor RO3306 | | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | Deposit date: | 2012-04-14 | | Release date: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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4EOP
 | | Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with the inhibitor RO3306 | | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | | Deposit date: | 2012-04-14 | | Release date: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
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1QZV
 | | Crystal structure of plant photosystem I | | Descriptor: | CHLOROPHYLL A, IRON/SULFUR CLUSTER, PHYLLOQUINONE, ... | | Authors: | Ben-Shem, A, Frolow, F, Nelson, N. | | Deposit date: | 2003-09-18 | | Release date: | 2004-01-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (4.44 Å) | | Cite: | Crystal structure of plant photosystem I.
Nature, 426, 2003
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4CBW
 | | Crystal structure of Plasmodium berghei actin I with D-loop from muscle actin | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ACTIN, ALPHA SKELETAL MUSCLE, ... | | Authors: | Vahokoski, J, Bhargav, S.P, Desfosses, A, Andreadaki, M, Kumpula, E.P, Ignatev, A, Munico Martinez, S, Lepper, S, Frischknecht, F, Siden-Kiamos, I, Sachse, C, Kursula, I. | | Deposit date: | 2013-10-17 | | Release date: | 2014-04-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structural Differences Explain Diverse Functions of Plasmodium Actins.
Plos Pathog., 10, 2014
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1QLU
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4CA0
 | | Structural Basis for the microtubule binding of the human kinetochore Ska complex | | Descriptor: | SPINDLE AND KINETOCHORE-ASSOCIATED PROTEIN 1 | | Authors: | Abad, M, Medina, B, Santamaria, A, Zou, J, Plasberg-Hill, C, Madhumalar, A, Jayachandran, U, Redli, P.M, Rappsilber, J, Nigg, E.A, Jeyaprakash, A.A. | | Deposit date: | 2013-10-04 | | Release date: | 2014-01-22 | | Method: | X-RAY DIFFRACTION (2.259 Å) | | Cite: | Structural Basis for Microtubule Recognition by the Human Kinetochore Ska Complex.
Nat.Commun., 5, 2014
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4END
 | | Crystal structure of anti-HIV actinohivin in complex with alpha-1,2-mannobiose (P 2 21 21 form) | | Descriptor: | ACETONITRILE, Actinohivin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | | Authors: | Hoque, M.M, Suzuki, K, Tsunoda, M, Jiang, J, Zhang, F, Takahashi, A, Naomi, O, Zhang, X, Sekiguchi, T, Tanaka, H, Omura, S, Takenaka, A. | | Deposit date: | 2012-04-13 | | Release date: | 2013-07-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Matured structure of anti-HIV lectin actinohivin in complex with 1,2-mannobiose
To be Published
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