6ZQH
 
 | | Yeast Uba1 in complex with ubiquitin | | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, TETRAETHYLENE GLYCOL, ... | | Authors: | Misra, M, Schindelin, H. | | Deposit date: | 2020-07-09 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.032 Å) | | Cite: | Development of ADPribosyl Ubiquitin Analogues to Study Enzymes Involved in Legionella Infection.
Chemistry, 27, 2021
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4K4R
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4K4P
 | | TL-3 inhibited Trp6Ala HIV Protease | | Descriptor: | HIV-1 protease, NITRATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Authors: | Tiefenbrunn, T, Stout, C.D. | | Deposit date: | 2013-04-12 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
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4K4Q
 | | TL-3 inhibited Trp6Ala HIV Protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap site | | Descriptor: | 3-bromo-2,6-dimethoxybenzoic acid, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ... | | Authors: | Tiefenbrunn, T, Stout, C.D. | | Deposit date: | 2013-04-12 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
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3MWU
 | | Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95 | | Descriptor: | 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | | Deposit date: | 2010-05-06 | | Release date: | 2010-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
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3NCG
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3N51
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor RM-1-95 | | Descriptor: | 1,2-ETHANEDIOL, 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | | Deposit date: | 2010-05-24 | | Release date: | 2010-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
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1E9R
 | | Bacterial conjugative coupling protein TrwBdeltaN70. Trigonal form in complex with sulphate. | | Descriptor: | CONJUGAL TRANSFER PROTEIN TRWB, SULFATE ION | | Authors: | Gomis-Rueth, F.X, Moncalian, G, Cabezon, E, de la Cruz, F, Coll, M. | | Deposit date: | 2000-10-26 | | Release date: | 2001-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Bacterial Conjugation Protein Trwb Resembles Ring Helicases and F1-ATPase
Nature, 409, 2001
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1E9S
 | | Bacterial conjugative coupling protein TrwBdeltaN70. Unbound monoclinic form. | | Descriptor: | CONJUGAL TRANSFER PROTEIN TRWB | | Authors: | Gomis-Rueth, F.X, Moncalian, G, Cabezon, E, de la Cruz, F, Coll, M. | | Deposit date: | 2000-10-26 | | Release date: | 2001-02-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Bacterial Conjugation Protein Trwb Resembles Ring Helicases and F1-ATPase
Nature, 409, 2001
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2HRM
 | | Crystal structure of dUTPase complexed with substrate analogue methylene-dUTP | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase | | Authors: | Barabas, O, Kovari, J, Tapai, R, Vertessy, B.G. | | Deposit date: | 2006-07-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Methylene substitution at the alpha-beta bridging position within the phosphate chain of dUDP profoundly perturbs ligand accommodation into the dUTPase active site.
Proteins, 71, 2008
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467D
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2HR6
 | | Crystal structure of dUTPase in complex with substrate analogue dUDP and manganese | | Descriptor: | 1,2-ETHANEDIOL, DEOXYURIDINE-5'-DIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | | Authors: | Barabas, O, Kovari, J, Tapai, R, Vertessy, B.G. | | Deposit date: | 2006-07-19 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Methylene substitution at the alpha-beta bridging position within the phosphate chain of dUDP profoundly perturbs ligand accommodation into the dUTPase active site.
Proteins, 71, 2008
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4DE7
 | | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mg2+ and uridine-diphosphate (UDP) | | Descriptor: | GLUCOSYL-3-PHOSPHOGLYCERATE SYNTHASE (GpgS), GLYCEROL, URIDINE-5'-DIPHOSPHATE | | Authors: | Albesa-Jove, D, Urresti, S, van der Woerd, M, Guerin, M.E. | | Deposit date: | 2012-01-20 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Mechanistic insights into the retaining glucosyl-3-phosphoglycerate synthase from mycobacteria.
J.Biol.Chem., 287, 2012
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4DEC
 | | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and phosphoglyceric acid (PGA) | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, GLUCOSYL-3-PHOSPHOGLYCERATE SYNTHASE (GpgS), GLYCEROL, ... | | Authors: | Albesa-Jove, D, Urresti, S, van der Woerd, M, Guerin, M.E. | | Deposit date: | 2012-01-20 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Mechanistic insights into the retaining glucosyl-3-phosphoglycerate synthase from mycobacteria.
J.Biol.Chem., 287, 2012
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4DDZ
 | | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis | | Descriptor: | GLUCOSYL-3-PHOSPHOGLYCERATE SYNTHASE (GpgS), GLYCEROL | | Authors: | Albesa-Jove, D, Urresti, S, Gest, P.M, van der Woerd, M, Jackson, M, Guerin, M.E. | | Deposit date: | 2012-01-19 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanistic insights into the retaining glucosyl-3-phosphoglycerate synthase from mycobacteria.
J.Biol.Chem., 287, 2012
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1HGZ
 | | Filamentous Bacteriophage PH75 | | Descriptor: | PH75 INOVIRUS MAJOR COAT PROTEIN | | Authors: | Pederson, D.M, Welsh, L.C, Marvin, D.A, Sampson, M, Perham, R.N, Yu, M, Slater, M.R. | | Deposit date: | 2000-12-17 | | Release date: | 2001-06-01 | | Last modified: | 2024-02-14 | | Method: | FIBER DIFFRACTION (2.4 Å) | | Cite: | The Protein Capsid of Filamentous Bacteriophage Ph75 from Thermus Thermophilus
J.Mol.Biol., 309, 2001
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1H21
 | | A novel iron centre in the split-Soret cytochrome c from Desulfovibrio desulfuricans ATCC 27774 | | Descriptor: | HEME C, SPLIT-SORET CYTOCHROME C | | Authors: | Abreu, I.A, Lourenco, A.I, Xavier, A.V, Legall, J, Coelho, A.V, Matias, P.M, Pinto, D.M, Carrondo, M.A, Teixeira, M, Saraiva, L.M. | | Deposit date: | 2002-07-30 | | Release date: | 2003-02-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Novel Iron Centre in the Split-Soret Cytochrome C from Desulfovibrio Desulfuricans Atcc 27774
J.Biol.Inorg.Chem., 8, 2003
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1HH0
 | | Filamentous Bacteriophage PH75 | | Descriptor: | PH75 INOVIRUS MAJOR COAT PROTEIN | | Authors: | Pederson, D.M, Welsh, L.C, Marvin, D.A, Sampson, M, Perham, R.N, Yu, M, Slater, M.R. | | Deposit date: | 2000-12-17 | | Release date: | 2001-06-01 | | Last modified: | 2024-02-14 | | Method: | FIBER DIFFRACTION (2.4 Å) | | Cite: | The Protein Capsid of Filamentous Bacteriophage Ph75 from Thermus Thermophilus
J.Mol.Biol., 309, 2001
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1HGV
 | | Filamentous Bacteriophage PH75 | | Descriptor: | PH75 INOVIRUS MAJOR COAT PROTEIN | | Authors: | Pederson, D.M, Welsh, L.C, Marvin, D.A, Sampson, M, Perham, R.N, Yu, M, Slater, M.R. | | Deposit date: | 2000-12-15 | | Release date: | 2001-06-01 | | Last modified: | 2023-12-13 | | Method: | FIBER DIFFRACTION (2.4 Å) | | Cite: | The Protein Capsid of Filamentous Bacteriophage Ph75 from Thermus Thermophilus
J.Mol.Biol., 309, 2001
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3I7B
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NM-PP1 | | Descriptor: | 1,2-ETHANEDIOL, 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | | Deposit date: | 2009-07-08 | | Release date: | 2010-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.988 Å) | | Cite: | Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
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3I7C
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3I79
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2XKM
 | | Consensus structure of Pf1 filamentous bacteriophage from X-ray fibre diffraction and solid-state NMR | | Descriptor: | CAPSID PROTEIN G8P | | Authors: | Straus, S.K, P Scott, W.R, Schwieters, C.D, Marvin, D.A. | | Deposit date: | 2010-07-09 | | Release date: | 2010-11-24 | | Last modified: | 2023-12-20 | | Method: | FIBER DIFFRACTION (3.3 Å), SOLID-STATE NMR | | Cite: | Consensus Structure of Pf1 Filamentous Bacteriophage from X-Ray Fibre Diffraction and Solid-State NMR.
Eur.Biophys.J., 40, 2011
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1QL2
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1QL1
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