5OSP
 
 | | The crystal structure of CK2alpha in complex with an analogue of compound 1 | | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-08-18 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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5OUU
 | | The crystal structure of CK2alpha in complex with compound 22 | | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-08-25 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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4BWF
 | | Pex4p-Pex22p disulphide bond mutant | | Descriptor: | 1,2-ETHANEDIOL, PEROXISOME ASSEMBLY PROTEIN 22, UBIQUITIN-CONJUGATING ENZYME E2-21 KDA | | Authors: | Williams, C, van den Berg, M, Stanley, W.A, Wilmanns, M, Distel, B. | | Deposit date: | 2013-07-01 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | A Disulphide Bond in the E2 Enzyme Pex4P Modulates Ubiquitin-Conjugating Activity
Sci.Rep., 3, 2013
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4BTU
 | | Factor Xa in complex with the dual thrombin-FXa inhibitor 57. | | Descriptor: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | | Authors: | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | | Deposit date: | 2013-06-19 | | Release date: | 2013-12-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor.
J.Med.Chem., 56, 2013
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3ZFG
 | | Human enterovirus 71 in complex with capsid binding inhibitor WIN51711 | | Descriptor: | 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, VP1, VP2, ... | | Authors: | Plevka, P, Perera, R, Yap, M.L, Cardosa, J, Kuhn, R.J, Rossmann, M.G. | | Deposit date: | 2012-12-11 | | Release date: | 2013-03-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of Human Enterovirus 71 in Complex with a Capsid-Binding Inhibitor.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4CTI
 | | Escherichia coli EnvZ histidine kinase catalytic part fused to Archaeoglobus fulgidus Af1503 HAMP domain | | Descriptor: | OSMOLARITY SENSOR PROTEIN ENVZ, AF1503 | | Authors: | Ferris, H.U, Coles, M, Lupas, A.N, Hartmann, M.D. | | Deposit date: | 2014-03-13 | | Release date: | 2014-04-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.847 Å) | | Cite: | Crystallographic Snapshot of the Escherichia Coli Envz Histidine Kinase in an Active Conformation.
J.Struct.Biol., 186, 2014
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3ZO7
 | | Crystal structure of ClcFE27A with substrate | | Descriptor: | (2S)-2-chloranyl-2-[(2R)-5-oxidanylidene-2H-furan-2-yl]ethanoic acid, 5-CHLOROMUCONOLACTONE DEHALOGENASE, CHLORIDE ION | | Authors: | Roth, C, Groening, J.A.D, Kaschabek, S.R, Schloemann, M, Straeter, N. | | Deposit date: | 2013-02-20 | | Release date: | 2013-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.224 Å) | | Cite: | Crystal Structure and Catalytic Mechanism of Chloromuconolactone Dehalogenase Clcf from Rhodococcus Opacus 1Cp.
Mol.Microbiol., 88, 2013
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5NFU
 | | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LHSpTA peptide | | Descriptor: | Ac-LEU-HIS-SER-(TPO)-ALA, Serine/threonine-protein kinase PLK1 | | Authors: | Kunciw, D.L, Rossmann, M, De Fusco, C, Spring, D.R, Hyvonen, M. | | Deposit date: | 2017-03-16 | | Release date: | 2018-05-16 | | Last modified: | 2023-03-08 | | Method: | X-RAY DIFFRACTION (1.809 Å) | | Cite: | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation.
Sci Rep, 9, 2019
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5O3S
 | | Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in Apo state, hexagonal crystal form | | Descriptor: | Membrane-associated protein slr1513 | | Authors: | Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D. | | Deposit date: | 2017-05-24 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | PII-like signaling protein SbtB links cAMP sensing with cyanobacterial inorganic carbon response.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4AZ0
 | | crystal structure of cathepsin a, complexed with 8a. | | Descriptor: | (S)-3-{[1-(2-Fluoro-phenyl)-5-hydroxy-1H-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | | Authors: | Ruf, S, Buning, C, Schreuder, H, Horstick, G, Linz, W, Olpp, T, Pernerstorfer, J, Hiss, K, Kroll, K, Kannt, A, Kohlmann, M, Linz, D, Huebschle, T, Ruetten, H, Wirth, K, Schmidt, T, Sadowski, T. | | Deposit date: | 2012-06-22 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A.
J.Med.Chem., 55, 2012
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4AUW
 | | CRYSTAL STRUCTURE OF THE BZIP HOMODIMERIC MAFB IN COMPLEX WITH THE C- MARE BINDING SITE | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, C-MARE BINDING SITE (5'-D(*AP*TP*AP*AP*TP*GP*CP*TP* GP*AP*CP*GP*TP*CP*AP*GP*CP*AP*AP*TP*T)-3'), MERCURY (II) ION, ... | | Authors: | Textor, L.C, Holton, S, Wilmanns, M. | | Deposit date: | 2012-05-22 | | Release date: | 2013-06-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Expression, purification, crystallization and preliminary crystallographic analysis of the mouse transcription factor MafB in complex with its DNA-recognition motif Cmare
Acta Crystallogr Sect F Struct Biol Cryst Commun., 63, 2007
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5NN1
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3ZGL
 | | Crystal structures of Escherichia coli IspH in complex with AMBPP a potent inhibitor of the methylerythritol phosphate pathway | | Descriptor: | (2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTASE, IRON/SULFUR CLUSTER | | Authors: | Borel, F, Barbier, E, Kratsutsky, S, Janthawornpong, K, Rohmer, M, Dale Poulter, C, Ferrer, J.L, Seemann, M. | | Deposit date: | 2012-12-18 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Further Insight into Crystal Structures of Escherichia coli IspH/LytB in Complex with Two Potent Inhibitors of the MEP Pathway: A Starting Point for Rational Design of New Antimicrobials.
Chembiochem, 18, 2017
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4C10
 | | Cryo-EM reconstruction of empty enterovirus 71 in complex with a neutralizing antibody E19 | | Descriptor: | CHLORIDE ION, EV19 5 C1-6 F1 C11, SODIUM ION, ... | | Authors: | Plevka, P, Perera, R, Cardosa, J, Suksatu, A, Kuhn, R.J, Rossmann, M.G. | | Deposit date: | 2013-08-08 | | Release date: | 2014-02-05 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (13 Å) | | Cite: | Neutralizing Antibodies Can Initiate Genome Release from Human Enterovirus 71.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3ZS4
 | | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PHOSPHORIBOSYL ISOMERASE WITH BOUND PRFAR | | Descriptor: | PHOSPHORIBOSYL ISOMERASE A, PHOSPHORIC ACID MONO-[5-({[5-CARBAMOYL-3-(5-PHOSPHONOOXY-5-DEOXY-RIBOFURANOSYL)- 3H-IMIDAZOL-4-YLAMINO]-METHYL}-AMINO)-2,3,4-TRIHYDROXY-PENTYL] ESTER | | Authors: | Due, A.V, Kuper, J, Geerlof, A, Wilmanns, M. | | Deposit date: | 2011-06-22 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Mycobacterium Tuberculosis Phosphoribosyl Isomerase with Bound Prfar
To be Published
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3ZGN
 | | Crystal structures of Escherichia coli IspH in complex with TMBPP a potent inhibitor of the methylerythritol phosphate pathway | | Descriptor: | (2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate, 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTASE, IRON/SULFUR CLUSTER | | Authors: | Borel, F, Barbier, E, Kratsutsky, S, Janthawornpong, K, Rohmer, M, Dale Poulter, C, Ferrer, J.L, Seemann, M. | | Deposit date: | 2012-12-18 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Further Insight into Crystal Structures of Escherichia coli IspH/LytB in Complex with Two Potent Inhibitors of the MEP Pathway: A Starting Point for Rational Design of New Antimicrobials.
Chembiochem, 18, 2017
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4CHG
 | | Crystal structure of VapBC15 complex from Mycobacterium tuberculosis | | Descriptor: | ANTITOXIN VAPB15, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Das, U, Pogenberg, V, Tiruttani Subhramanyam, U.K, Wilmanns, M, Srinivasan, A, Gourinath, S. | | Deposit date: | 2013-12-02 | | Release date: | 2014-11-12 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Vapbc-15 Complex from Mycobacterium Tuberculosis Reveals a Two-Metal Ion Dependent Pin-Domain Ribonuclease And a Variable Mode of Toxin-Antitoxin Assembly.
J.Struct.Biol., 188, 2014
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4CE5
 | | First crystal structure of an (R)-selective omega-transaminase from Aspergillus terreus | | Descriptor: | AT-OMEGATA, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Lyskowski, A, Gruber, C, Steinkellner, G, Schurmann, M, Schwab, H, Gruber, K, Steiner, K. | | Deposit date: | 2013-11-08 | | Release date: | 2014-02-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Crystal Structure of an (R)-Selective Omega-Transaminase from Aspergillus Terreus
Plos One, 9, 2014
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5MIH
 | | Crystal structure of the lectin LecA from Pseudomonas aeruginosa in complex with a phenyl-epoxy-galactopyranoside | | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, PA-I galactophilic lectin, ... | | Authors: | Wagner, S, Hauk, D, Hofmann, M, Joachim, I, Sommer, R, Muller, R, Imberty, A, Varrot, A, Titz, A. | | Deposit date: | 2016-11-28 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Covalent Lectin Inhibition and Application in Bacterial Biofilm Imaging.
Angew. Chem. Int. Ed. Engl., 56, 2017
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3STI
 | | Crystal structure of the protease domain of DegQ from Escherichia coli | | Descriptor: | Protease degQ | | Authors: | Sawa, J, Malet, H, Krojer, T, Canellas, F, Ehrmann, M, Clausen, T. | | Deposit date: | 2011-07-11 | | Release date: | 2011-07-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular adaptation of the DegQ protease to exert protein quality control in the bacterial cell envelope.
J.Biol.Chem., 286, 2011
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5NEI
 | | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with JES107 | | Descriptor: | 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid, Serine/threonine-protein kinase PLK1 | | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | | Deposit date: | 2017-03-10 | | Release date: | 2018-02-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain.
To Be Published
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5NN2
 | | The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490 | | Descriptor: | (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid, Serine/threonine-protein kinase PLK1 | | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | | Deposit date: | 2017-04-07 | | Release date: | 2018-02-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain.
To Be Published
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5O3P
 | | Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in Apo state, trigonal crystal form | | Descriptor: | DI(HYDROXYETHYL)ETHER, Membrane-associated protein slr1513, PENTAETHYLENE GLYCOL | | Authors: | Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D. | | Deposit date: | 2017-05-24 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | PII-like signaling protein SbtB links cAMP sensing with cyanobacterial inorganic carbon response.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5W3O
 | | CryoEM structure of rhinovirus B14 in complex with C5 Fab (33 degrees Celsius, molar ratio 1:3, empty particle) | | Descriptor: | C5 antibody variable heavy domain, C5 antibody variable light domain, viral protein 1, ... | | Authors: | Liu, Y, Dong, Y, Rossmann, M.G. | | Deposit date: | 2017-06-08 | | Release date: | 2017-07-12 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Antibody-induced uncoating of human rhinovirus B14.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5O3R
 | | Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, BICARBONATE ION, Membrane-associated protein slr1513 | | Authors: | Selim, K.A, Forchhammer, K, Albrecht, R, Hartmann, M.D. | | Deposit date: | 2017-05-24 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | PII-like signaling protein SbtB links cAMP sensing with cyanobacterial inorganic carbon response.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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