2NDF
 
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2ND0
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2NDG
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2LIX
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7FAY
 | | Crystal structure of SARS-CoV-2 main protease in complex with (R)-1a | | Descriptor: | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide, 3C-like proteinase | | Authors: | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | | Deposit date: | 2021-07-08 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron.
Nat Microbiol, 7, 2022
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7FAZ
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Y180 | | Descriptor: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide, 3C-like proteinase, SODIUM ION | | Authors: | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | | Deposit date: | 2021-07-08 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron.
Nat Microbiol, 7, 2022
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4IBQ
 | | Human p53 core domain with hot spot mutation R273C | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cellular tumor antigen p53, ... | | Authors: | Rozenberg, H, Eldar, A, Diskin-Posner, Y, Shakked, Z. | | Deposit date: | 2012-12-09 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
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4IBS
 | | Human p53 core domain with hot spot mutation R273H (form I) | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, ZINC ION | | Authors: | Rozenberg, H, Eldar, A, Diskin-Posner, Y, Shakked, Z. | | Deposit date: | 2012-12-09 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
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4IJT
 | | Human p53 core domain with hot spot mutation R273H (form II) | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Cellular tumor antigen p53, ... | | Authors: | Rozenberg, H, Eldar, A, Diskin-Posner, Y, Shakked, Z. | | Deposit date: | 2012-12-23 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
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5Z9C
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6R0G
 | | Getah virus macro domain in complex with ADPr, pose 2 | | Descriptor: | ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural polyprotein | | Authors: | Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B. | | Deposit date: | 2019-03-12 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
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6R0P
 | | Getah virus macro domain in complex with ADPr in double open conformation | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Non-structural polyprotein, ... | | Authors: | Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B. | | Deposit date: | 2019-03-13 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
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6R0F
 | | Getah virus macro domain in complex with ADPr, pose 1 | | Descriptor: | Non-structural polyprotein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B. | | Deposit date: | 2019-03-12 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
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3I1K
 | | Structure of porcine torovirus Hemagglutinin-Esterase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, Hemagglutinin-esterase protein | | Authors: | Zeng, Q.H, Huizinga, E.G. | | Deposit date: | 2009-06-26 | | Release date: | 2009-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for ligand and substrate recognition by torovirus hemagglutinin esterases
Proc.Natl.Acad.Sci.USA, 106, 2009
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6CBY
 | | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975 | | Descriptor: | N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone | | Authors: | ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-05 | | Release date: | 2018-03-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase.
J.Med.Chem., 62, 2019
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3I26
 | | Structure of bovine torovirus Hemagglutinin-Esterase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ... | | Authors: | Zeng, Q.H, Huizinga, E.G. | | Deposit date: | 2009-06-29 | | Release date: | 2009-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for ligand and substrate recognition by torovirus hemagglutinin esterases
Proc.Natl.Acad.Sci.USA, 106, 2009
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3I1L
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4JAC
 | | Dehaloperoxidase-Hemoglobin T56S | | Descriptor: | AZIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Franzen, S, Swartz, P.D. | | Deposit date: | 2013-02-18 | | Release date: | 2013-11-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.934 Å) | | Cite: | The role of T56 in controlling the flexibility of the distal histidine in dehaloperoxidase-hemoglobin from Amphitrite ornata.
Biochim.Biophys.Acta, 1834, 2013
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3I27
 | | Structure of bovine torovirus Hemagglutinin-Esterase in complex with receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ... | | Authors: | Zeng, Q.H, Huizinga, E.G. | | Deposit date: | 2009-06-29 | | Release date: | 2009-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for ligand and substrate recognition by torovirus hemagglutinin esterases
Proc.Natl.Acad.Sci.USA, 106, 2009
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4LI5
 | | EGFR-K IN COMPLEX WITH N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxy-phenyl] Prop-2-enamide | | Descriptor: | Epidermal growth factor receptor, N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide, SODIUM ION | | Authors: | Debreczeni, J.E, Seiffert, G.B, Kiefersauer, R, Augustin, M, Nagel, S, Ward, R, Anderton, M, Ashton, S, Bethel, P, Box, M, Butterworth, S, Colclough, N, Chroley, C, Chuaqui, C, Cross, D, Eberlein, C, Finlay, R, Hill, G, Grist, M, Klinowska, T, Lane, C, Martin, S, Orme, J, Smith, P, Wang, F, Waring, M. | | Deposit date: | 2013-07-02 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structure- and Reactivity-Based Development of Covalent Inhibitors of the Activating and Gatekeeper Mutant Forms of the Epidermal Growth Factor Receptor (EGFR).
J.Med.Chem., 56, 2013
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6ZNC
 | | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (I) | | Descriptor: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ... | | Authors: | Rozenberg, H, Degtjarik, O, Diskin-Posner, Y, Shakked, Z. | | Deposit date: | 2020-07-06 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
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3EZQ
 | | Crystal Structure of the Fas/FADD Death Domain Complex | | Descriptor: | Protein FADD, SODIUM ION, SULFATE ION, ... | | Authors: | Schwarzenbacher, R, Robinson, H, Stec, B, Riedl, S.J. | | Deposit date: | 2008-10-23 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | The Fas-FADD death domain complex structure unravels signalling by receptor clustering
Nature, 457, 2009
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5MF7
 | | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-GADD45) | | Descriptor: | Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, DNA, ... | | Authors: | Rozenberg, H, Diskin-Posner, Y, Golovenko, D, Shakked, Z. | | Deposit date: | 2016-11-17 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
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3ZFM
 | | Crystal structure of EphB2 | | Descriptor: | EPHRIN TYPE-B RECEPTOR 2 | | Authors: | Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K. | | Deposit date: | 2012-12-12 | | Release date: | 2014-01-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
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2YFO
 | | GALACTOSIDASE DOMAIN OF ALPHA-GALACTOSIDASE-SUCROSE KINASE, AGASK, in complex with galactose | | Descriptor: | ALPHA-GALACTOSIDASE-SUCROSE KINASE AGASK, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Sulzenbacher, G, Bruel, L, Tison-Cervera, M, Pujol, A, Nicoletti, C, Perrier, J, Galinier, A, Ropartz, D, Fons, M, Pompeo, F, Giardina, T. | | Deposit date: | 2011-04-07 | | Release date: | 2011-09-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Agask, a Bifunctional Enzyme from the Human Microbiome Coupling Galactosidase and Kinase Activities
J.Biol.Chem., 286, 2011
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