2C94
| LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 difluoropentane-1- PHOSPHATE | Descriptor: | 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 DIFLUOROPENTANE-1-PHOSPHATE, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, POTASSIUM ION | Authors: | Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | Deposit date: | 2005-12-09 | Release date: | 2006-12-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis. FEBS J., 273, 2006
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2C92
| LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) PENTANE 1 PHOSPHATE | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1-PHOSPHATE, ... | Authors: | Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | Deposit date: | 2005-12-09 | Release date: | 2006-12-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis. FEBS J., 273, 2006
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2C97
| LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 4-(6- chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)butyl phosphate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(6-CHLORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) BUTYL PHOSPHATE, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, ... | Authors: | Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | Deposit date: | 2005-12-09 | Release date: | 2006-12-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis. FEBS J., 273, 2006
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2O6H
| Lumazine synthase RibH1 from Brucella melitensis (Gene BMEI1187, Swiss-Prot entry Q8YGH2) complexed with inhibitor 5-Nitro-6-(D-Ribitylamino)-2,4(1H,3H) Pyrimidinedione | Descriptor: | 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase 1, CALCIUM ION | Authors: | Klinke, S, Zylberman, V, Bonomi, H.R, Haase, I, Guimaraes, B.G, Braden, B.C, Bacher, A, Fischer, M, Goldbaum, F.A. | Deposit date: | 2006-12-07 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Kinetic Properties of Lumazine Synthase Isoenzymes in the Order Rhizobiales J.Mol.Biol., 373, 2007
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1NQU
| Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 6,7-dioxo-5H-8-ribitylaminolumazine | Descriptor: | 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | Authors: | Zhang, X, Meining, W, Cushman, M, Haase, I, Fischer, M, Bacher, A, Ladenstein, R. | Deposit date: | 2003-01-23 | Release date: | 2004-01-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A structure-based model of the reaction catalyzed by lumazine synthase from Aquifex aeolicus. J.Mol.Biol., 328, 2003
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1NQW
| Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 5-(6-D-ribitylamino-2,4(1H,3H)pyrimidinedione-5-yl)-1-pentyl-phosphonic acid | Descriptor: | 5-(6-D-RIBITYLAMINO-2,4(1H,3H)PYRIMIDINEDIONE-5-YL) PENTYL-1-PHOSPHONIC ACID, 6,7-dimethyl-8-ribityllumazine synthase | Authors: | Zhang, X, Meining, W, Cushman, M, Haase, I, Fischer, M, Bacher, A, Ladenstein, R. | Deposit date: | 2003-01-23 | Release date: | 2004-01-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A structure-based model of the reaction catalyzed by lumazine synthase from Aquifex aeolicus. J.Mol.Biol., 328, 2003
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1NQX
| Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 3-(7-hydroxy-8-ribityllumazine-6-yl)propionic acid | Descriptor: | 3-(7-HYDROXY-8-RIBITYLLUMAZINE-6-YL) PROPIONIC ACID, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | Authors: | Zhang, X, Meining, W, Cushman, M, Haase, I, Fischer, M, Bacher, A, Ladenstein, R. | Deposit date: | 2003-01-23 | Release date: | 2004-01-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | A structure-based model of the reaction catalyzed by lumazine synthase from Aquifex aeolicus. J.Mol.Biol., 328, 2003
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1SQL
| Crystal structure of 7,8-dihydroneopterin aldolase in complex with guanine | Descriptor: | GUANINE, dihydroneopterin aldolase | Authors: | Bauer, S, Schott, A.K, Illarionova, V, Bacher, A, Huber, R, Fischer, M. | Deposit date: | 2004-03-19 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Biosynthesis of Tetrahydrofolate in Plants: Crystal Structure of 7,8-Dihydroneopterin Aldolase from Arabidopsis thaliana Reveals a Novel Adolase Class. J.Mol.Biol., 339, 2004
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3ZRT
| Crystal structure of human PSD-95 PDZ1-2 | Descriptor: | DISKS LARGE HOMOLOG 4 | Authors: | Sorensen, P.L, Kastrup, J.S, Gajhede, M. | Deposit date: | 2011-06-19 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.398 Å) | Cite: | A High-Affinity, Dimeric Inhibitor of Psd-95 Bivalently Interacts with Pdz1-2 and Protects Against Ischemic Brain Damage. Proc.Natl.Acad.Sci.USA, 109, 2012
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7REC
| Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CaMKII alpha hub bound to 5-HDC | Descriptor: | 5-hydroxydiclofenac, Calcium/calmodulin-dependent protein kinase type II subunit alpha, SODIUM ION | Authors: | McSpadden, E.D, Chi, C.C, Gee, C.L, Kuriyan, J. | Deposit date: | 2021-07-12 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | GHB analogs confer neuroprotection through specific interaction with the CaMKII alpha hub domain. Proc.Natl.Acad.Sci.USA, 118, 2021
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4H11
| Interaction partners of PSD-93 studied by X-ray crystallography and fluorescent polarization spectroscopy | Descriptor: | ACETATE ION, Disks large homolog 2, SULFATE ION | Authors: | Fiorentini, M, Kastrup, J.S, Gajhede, M. | Deposit date: | 2012-09-10 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Interaction partners of PSD-93 studied by X-ray crystallography and fluorescence polarization spectroscopy. Acta Crystallogr.,Sect.D, 69, 2013
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4UQF
| CRYSTAL STRUCTURE OF LISTERIA MONOCYTOGENES GTP CYCLOHYDROLASE I | Descriptor: | GTP cyclohydrolase 1 | Authors: | Schuessler, S, Perbandt, M, Fischer, M, Graewert, T. | Deposit date: | 2014-06-23 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of GTP cyclohydrolase I from Listeria monocytogenes, a potential anti-infective drug target. Acta Crystallogr.,Sect.F, 75, 2019
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1JFM
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2V34
| IspE in complex with cytidine and ligand | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, CHLORIDE ION, ... | Authors: | Sgraja, T, Alphey, M.S, Hunter, W.N. | Deposit date: | 2007-06-11 | Release date: | 2007-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery. FEBS J., 275, 2008
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3WQS
| Crystal structure of pfdxr complexed with inhibitor-126 | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MAGNESIUM ION, ... | Authors: | Tanaka, N, Umeda, T. | Deposit date: | 2014-01-31 | Release date: | 2014-11-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC. J.Med.Chem., 57, 2014
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4TW1
| Crystal structure of the octameric pore complex of the Staphylococcus aureus Bi-component Toxin LukGH | Descriptor: | Possible leukocidin subunit | Authors: | Logan, D.T, Hakansson, M, Saline, M, Kimbung, R, Badarau, A, Rouha, H, Nagy, E. | Deposit date: | 2014-06-29 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Function Analysis of Heterodimer Formation, Oligomerization, and Receptor Binding of the Staphylococcus aureus Bi-component Toxin LukGH. J.Biol.Chem., 290, 2015
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7PFP
| Full-length cryo-EM structure of the native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B. | Deposit date: | 2021-08-11 | Release date: | 2022-03-16 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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1ZIS
| Recombinant Lumazine synthase (hexagonal form) | Descriptor: | 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | Authors: | Lopez-Jaramillo, F.J. | Deposit date: | 2005-04-27 | Release date: | 2006-10-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of recombinant Lumazine synthase (hexagonal form) To be Published
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6ZCI
| Crystal structure of BRD4-BD1 in complex with NVS-BET-1 | Descriptor: | (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, Bromodomain-containing protein 4 | Authors: | Faller, M. | Deposit date: | 2020-06-11 | Release date: | 2020-12-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.976 Å) | Cite: | BET bromodomain inhibitors regulate keratinocyte plasticity. Nat.Chem.Biol., 17, 2021
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6YN9
| MALT1(329-728) in complex with a sulfonamide containing compound | Descriptor: | 5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | Authors: | Renatus, M. | Deposit date: | 2020-04-11 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.558 Å) | Cite: | Stabilizing Inactive Conformations of MALT1 as an Effective Approach to Inhibit Its Protease Activity Advanced Therapeutics, 3, 2020
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6TQK
| Cryo-EM of native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, ... | Authors: | Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L. | Deposit date: | 2019-12-16 | Release date: | 2020-11-04 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Cryo-EM structure of native human uromodulin, a zona pellucida module polymer. Embo J., 39, 2020
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6URC
| Crystal structure of IRE1a in complex with compound 18 | Descriptor: | 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Wallweber, H.H, Wang, W. | Deposit date: | 2019-10-23 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6TQL
| Cryo-EM of elastase-treated human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L. | Deposit date: | 2019-12-16 | Release date: | 2020-11-04 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Cryo-EM structure of native human uromodulin, a zona pellucida module polymer. Embo J., 39, 2020
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2YC3
| Inhibitors of the herbicidal target IspD | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one, ... | Authors: | Hoeffken, H.W. | Deposit date: | 2011-03-11 | Release date: | 2011-08-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding. Angew.Chem.Int.Ed.Engl., 50, 2011
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6HPV
| Crystal structure of mouse fetuin-B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B | Authors: | Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L. | Deposit date: | 2018-09-22 | Release date: | 2019-02-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition. Iucrj, 6, 2019
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