4HMB
 
 | | Crystal Structure of the complex of group II phospholipase A2 with a 3-{3-[(Dimethylamino)methyl]-1H-indol-7-yl}propan-1-ol at 2.21 A Resolution | | Descriptor: | 3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL, Phospholipase A2 VRV-PL-VIIIa | | Authors: | Shukla, P.K, Haridas, M, Chandra, D.N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-10-18 | | Release date: | 2012-11-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal Structure of the complex of group II phospholipase A2 with a 3-{3-[(Dimethylamino)methyl]-1H-indol-7-yl}propan-1-ol at 2.21 A Resolution
To be Published
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5XLW
 | | Mycobacterium tuberculosis Pantothenate kinase mutant F247A/F254A | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | | Authors: | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | | Deposit date: | 2017-05-11 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5JQH
 | | Structure of beta2 adrenoceptor bound to carazolol and inactive-state stabilizing nanobody, Nb60 | | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, CHOLESTEROL, Endolysin,Beta-2 adrenergic receptor, ... | | Authors: | Staus, D.P, Strachan, R.T, Manglik, A, Pani, B, Kahsai, A.W, Kim, T.H, Wingler, L.M, Ahn, S, Chatterjee, A, Masoudi, A, Kruse, A.C, Pardon, E, Steyaert, J, Weis, W.I, Prosser, R.S, Kobilka, B.K, Costa, T, Lefkowitz, R.J. | | Deposit date: | 2016-05-05 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation.
Nature, 535, 2016
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4QJL
 | | Crystal structure of M. ulcerans phosphopantetheinyl transferase MuPPT | | Descriptor: | COENZYME A, MAGNESIUM ION, Phosphopantetheinyl transferase, ... | | Authors: | Noel, J.P, Burkart, M.D, Vickery, C.R. | | Deposit date: | 2014-06-04 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure, biochemistry, and inhibition of essential 4'-phosphopantetheinyl transferases from two species of mycobacteria.
Acs Chem.Biol., 9, 2014
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4J70
 | | Yeast 20S proteasome in complex with the belactosin derivative 3e | | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | | Authors: | Kawamura, S, Unno, Y, List, A, Tanaka, M, Sasaki, T, Arisawa, M, Asai, A, Groll, M, Shuto, S. | | Deposit date: | 2013-02-12 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Potent Proteasome Inhibitors Derived from the Unnatural cis-Cyclopropane Isomer of Belactosin A: Synthesis, Biological Activity, and Mode of Action.
J.Med.Chem., 56, 2013
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4RTE
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1K6U
 | | Crystal Structure of Cyclic Bovine Pancreatic Trypsin Inhibitor | | Descriptor: | 1,2-ETHANEDIOL, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION | | Authors: | Botos, I, Wu, Z, Lu, W, Wlodawer, A. | | Deposit date: | 2001-10-17 | | Release date: | 2001-12-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystal structure of a cyclic form of bovine pancreatic trypsin inhibitor.
FEBS Lett., 509, 2001
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6RX6
 | | Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 4 (NMT-C0026) | | Descriptor: | ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase, ... | | Authors: | Landi, G, Pozzi, C, Mangani, S. | | Deposit date: | 2019-06-07 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
J.Med.Chem., 65, 2022
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1AAL
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2LML
 | | Solution NMR structure of holo acyl carrier protein from geobacter Metallireducens refined with nh rdcs, Northeast Structural Genomics consortium target gmr141 | | Descriptor: | 4'-PHOSPHOPANTETHEINE, Putative acyl carrier protein | | Authors: | Ramelot, T.A, Smola, M.J, Lee, H, Zhao, L, Ciccosanti, C, Foote, E.L, Hamilton, K, Nair, R, Rost, B, Swapna, G, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-12-05 | | Release date: | 2012-01-25 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution structure of 4'-phosphopantetheine - GmACP3 from Geobacter metallireducens: a specialized acyl carrier protein with atypical structural features and a putative role in lipopolysaccharide biosynthesis.
Biochemistry, 50, 2011
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7PTI
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6T3L
 | | PAS-GAF fragment from Deinococcus radiodurans phytochrome in dark state | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | | Authors: | Claesson, E, Takala, H, Yuan Wahlgren, W, Pandey, S, Schmidt, M, Westenhoff, S. | | Deposit date: | 2019-10-11 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser.
Elife, 9, 2020
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6T3U
 | | PAS-GAF fragment from Deinococcus radiodurans phytochrome 1ps after photoexcitation | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | | Authors: | Claesson, E, Takala, H, Yuan Wahlgren, W, Pandey, S, Schmidt, M, Westenhoff, S. | | Deposit date: | 2019-10-11 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser.
Elife, 9, 2020
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6R7D
 | | Crystal structure of LTC4S in complex with AZ13690257 | | Descriptor: | (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ... | | Authors: | Kack, H, Ek, M. | | Deposit date: | 2019-03-28 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
J.Med.Chem., 62, 2019
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6R36
 | | T. brucei farnesyl pyrophosphate synthase (FPPS) | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | | Deposit date: | 2019-03-19 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase.
Chembiochem, 21, 2020
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2C1V
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2C1U
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7S4B
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2HEX
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3ZY5
 | | Crystal structure of POFUT1 in complex with GDP-fucose (crystal-form-I) | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1, ... | | Authors: | Lira-Navarrete, E, Valero-Gonzalez, J, Villanueva, R, Martinez-Julvez, M, Tejero, T, Merino, P, Panjikar, S, Hurtado-Guerrero, R. | | Deposit date: | 2011-08-17 | | Release date: | 2011-09-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
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3RT5
 | | Lysozyme in 30% propanol | | Descriptor: | ACETATE ION, CHLORIDE ION, ISOPROPYL ALCOHOL, ... | | Authors: | Sharma, P, Solanki, A.K, Ashish | | Deposit date: | 2011-05-03 | | Release date: | 2011-06-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of Lysozyme in 30% propanol
to be published
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3ZY4
 | | Crystal structure of POFUT1 apo-form (crystal-form-I) | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1, SULFATE ION | | Authors: | Lira-Navarrete, E, Valero-Gonzalez, J, Villanueva, R, Martinez-Julvez, M, Tejero, T, Merino, P, Panjikar, S, Hurtado-Guerrero, R. | | Deposit date: | 2011-08-17 | | Release date: | 2011-09-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
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4K8K
 | | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 1-(4-methoxyphenyl)-1-cyclopropane and 2-aminoperimidine | | Descriptor: | 1-(4-methoxyphenyl)cyclopropanecarboxylic acid, 1H-perimidin-2-amine, ADENOSINE, ... | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-04-18 | | Release date: | 2013-05-01 | | Last modified: | 2013-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 1-(4-methoxyphenyl)-1-cyclopropane and 2-aminoperimidine
To be Published
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3MJN
 | | Crystal Structure of the complex of C-lobe of lactoferrin with isopropylamino-3-(1-naphthyloxy)propan-2-ol at 2.38 A Resolution | | Descriptor: | (1E,2R)-1-(ISOPROPYLIMINO)-3-(1-NAPHTHYLOXY)PROPAN-2-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Srivastava, K, Vikram, G, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2010-04-13 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal Structure of the complex of C-lobe of lactoferrin with isopropylamino-3-(1-naphthyloxy)propan-2-ol at 2.38 A Resolution
To be Published
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7QRO
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