4PO9
| Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-BR | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ... | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | Deposit date: | 2014-02-25 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability J.Biosci., 40, 2015
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4PSV
| Mycobacterium tuberculosis RecA phosphate bound room temperature structure I-RT | Descriptor: | PHOSPHATE ION, Protein RecA, 1st part, ... | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | Deposit date: | 2014-03-08 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability J.Biosci., 40, 2015
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4PPN
| Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-BN | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Protein RecA, ... | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | Deposit date: | 2014-02-27 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability J.Biosci., 40, 2015
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7T9I
| Native human TSH bound to human Thyrotropin receptor in complex with miniGs399 (composite structure) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein hormones alpha chain, ... | Authors: | Faust, B, Cheng, Y, Manglik, A. | Deposit date: | 2021-12-19 | Release date: | 2022-08-03 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor. Nature, 609, 2022
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7T9N
| M22 Agonist Autoantibody bound to Human Thyrotropin receptor in complex with miniGs399 (composite structure) | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Faust, B, Cheng, Y, Manglik, A. | Deposit date: | 2021-12-19 | Release date: | 2022-08-03 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor. Nature, 609, 2022
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7T9M
| Human Thyrotropin receptor bound by CS-17 Inverse Agonist Fab/Org 274179-0 Antagonist | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CS-17 Heavy Chain, ... | Authors: | Faust, B, Cheng, Y, Manglik, A. | Deposit date: | 2021-12-19 | Release date: | 2022-08-10 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor. Nature, 609, 2022
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3SKG
| Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with (2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-(1,2,3,4-tetrahydro-3-isoquinolinyl)ethyl)-4-phenylbutanamide | Descriptor: | (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide, Beta-secretase 1 | Authors: | Muckelbauer, J.K. | Deposit date: | 2011-06-22 | Release date: | 2011-09-07 | Last modified: | 2012-12-05 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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7UTZ
| Human thyrotropin analog TR1402 bound to human Thyrotropin receptor in complex with miniGs399 (composite structure) | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein hormones alpha chain analog TR1402, ... | Authors: | Faust, B, Cheng, Y, Manglik, A. | Deposit date: | 2022-04-28 | Release date: | 2022-08-03 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor. Nature, 609, 2022
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3SKF
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7U6Z
| Pertussis toxin E129D NAD | Descriptor: | IODIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pertussis toxin subunit 1 | Authors: | Littler, D.R, Beddoe, T, Pulliainen, A, Rossjohn, J. | Deposit date: | 2022-03-06 | Release date: | 2022-04-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.30002 Å) | Cite: | Crystal structures of pertussis toxin with NAD + and analogs provide structural insights into the mechanism of its cytosolic ADP-ribosylation activity. J.Biol.Chem., 298, 2022
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4J06
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4J08
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4IZ0
| Crystal structure of HCV NS5B polymerase in complex with 2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide | Descriptor: | 2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide, RNA-directed RNA polymerase | Authors: | Coulombe, R. | Deposit date: | 2013-01-29 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4J04
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4J0A
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4J02
| Crystal structure of hcv ns5b polymerase in complex with [(1R)-5,8-DICHLORO-1-PROPYL-1,3,4,9-TETRAHYDROPYRANO[3,4-B]INDOL-1-YL]ACETIC ACID | Descriptor: | Genome polyprotein, SODIUM ION, SULFATE ION, ... | Authors: | Coulombe, R. | Deposit date: | 2013-01-30 | Release date: | 2013-04-17 | Last modified: | 2013-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4JMU
| Crystal structure of HIV matrix residues 1-111 in complex with inhibitor | Descriptor: | 5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid, Gag-Pol polyprotein, SULFATE ION | Authors: | Lemke, C.T. | Deposit date: | 2013-03-14 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enantiomeric Atropisomers Inhibit HCV Polymerase and/or HIV Matrix: Characterizing Hindered Bond Rotations and Target Selectivity. J.Med.Chem., 57, 2014
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5Y42
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4JJU
| Crystal structure of HCV NS5B polymerase in complex with COMPOUND 29 | Descriptor: | 1-(2,4-difluorobenzyl)-6-{[3-(trifluoromethyl)pyridin-2-yl]oxy}quinazolin-4(1H)-one, GLYCEROL, Genome polyprotein, ... | Authors: | Coulombe, R. | Deposit date: | 2013-03-08 | Release date: | 2013-06-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: Discovery of a quinazolinone chemotype. Bioorg.Med.Chem.Lett., 23, 2013
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4JVQ
| Crystal structure of hcv ns5b polymerase in complex with compound 9 | Descriptor: | 5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid, GLYCEROL, Genome polyprotein, ... | Authors: | Coulombe, R. | Deposit date: | 2013-03-26 | Release date: | 2014-02-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Enantiomeric Atropisomers Inhibit HCV Polymerase and/or HIV Matrix: Characterizing Hindered Bond Rotations and Target Selectivity. J.Med.Chem., 57, 2014
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4JJS
| Crystal structure of HCV NS5B polymerase in complex with COMPOUND 2 | Descriptor: | 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid, Genome polyprotein, MAGNESIUM ION | Authors: | Coulombe, R. | Deposit date: | 2013-03-08 | Release date: | 2013-06-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: Discovery of a quinazolinone chemotype. Bioorg.Med.Chem.Lett., 23, 2013
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2OE2
| MSrecA-native-low humidity 95% | Descriptor: | PHOSPHATE ION, Protein recA | Authors: | Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2006-12-28 | Release date: | 2007-06-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA J.Mol.Biol., 367, 2007
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2ODW
| MSrecA-ATP-GAMA-S complex | Descriptor: | PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein recA | Authors: | Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2006-12-27 | Release date: | 2007-06-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA J.Mol.Biol., 367, 2007
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2ODN
| MSRECA-dATP complex | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Protein recA | Authors: | Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2006-12-24 | Release date: | 2007-06-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA J.Mol.Biol., 367, 2007
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2OES
| MSrecA-native-SSB | Descriptor: | PHOSPHATE ION, Protein recA | Authors: | Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2007-01-01 | Release date: | 2007-06-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA J.Mol.Biol., 367, 2007
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