1NXT
 
 | | MicArec pH 4.0 | | Descriptor: | DNA-binding response regulator, XENON | | Authors: | Bent, C.J, Isaacs, N.W, Mitchell, T.J, Riboldi-Tunnicliffe, A. | | Deposit date: | 2003-02-11 | | Release date: | 2004-02-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of the response regulator 02 receiver domain, the essential YycF two-component system of Streptococcus pneumoniae in both complexed and native states.
J.Bacteriol., 186, 2004
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8QMO
 | | Cryo-EM structure of the benzo[a]pyrene-bound Hsp90-XAP2-AHR complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ... | | Authors: | Kwong, H.S, Grandvuillemin, L, Sirounian, S, Ancelin, A, Lai-Kee-Him, J, Carivenc, C, Lancey, C, Ragan, T.J, Hesketh, E.L, Bourguet, W, Gruszczyk, J. | | Deposit date: | 2023-09-24 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural Insights into the Activation of Human Aryl Hydrocarbon Receptor by the Environmental Contaminant Benzo[a]pyrene and Structurally Related Compounds.
J.Mol.Biol., 436, 2024
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2CLZ
 | | Mhc Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and pBM1 peptide | | Descriptor: | BETA-2 MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN, ... | | Authors: | Mazza, C, Auphan-Anezin, N, Guimezanes, A, Barrett-Wilt, G.A, Montero-Julian, F, Roussel, A, Hunt, D.F, Schmitt-Verhulst, A.M, Malissen, B. | | Deposit date: | 2006-05-03 | | Release date: | 2006-06-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Distinct Orientation of the Alloreactive Monoclonal Cd8 T Cell Activation Program by Three Different Peptide/Mhc Complexes.
Eur.J.Immunol., 36, 2006
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5DXT
 | | p110alpha with GDC-0326 | | Descriptor: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, 1,2-ETHANEDIOL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | | Deposit date: | 2015-09-23 | | Release date: | 2016-01-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
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1MC7
 | | Solution Structure of mDvl1 PDZ domain | | Descriptor: | Segment polarity protein dishevelled homolog DVL-1 | | Authors: | Wong, H.-C, Bourdelas, A, Shao, Y, Wu, D, Shi, D.L, Zheng, J. | | Deposit date: | 2002-08-05 | | Release date: | 2003-09-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Direct binding of the PDZ domain of Dishevelled to a conserved internal sequence in the C-terminal region of Frizzled
Mol.Cell, 12, 2003
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8QG0
 | | Archaeoglobus fulgidus AfAgo complex with AfAgo-N protein (fAfAgo) bound with 17 nt RNA guide and 17 nt DNA target | | Descriptor: | AfAgo-N protein, DNA target 17 nt, Piwi protein, ... | | Authors: | Manakova, E.N, Zaremba, M, Pocevicuite, R, Golovinas, E, Zagorskaite, E, Silanskas, A. | | Deposit date: | 2023-09-05 | | Release date: | 2024-01-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
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4NE5
 | | Human MHF1-MHF2 complex | | Descriptor: | Centromere protein S, Centromere protein X | | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | | Deposit date: | 2013-10-28 | | Release date: | 2013-12-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
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4DYM
 | | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135 | | Descriptor: | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Activin receptor type-1, GLYCEROL, ... | | Authors: | Chaikuad, A, Sanvitale, C, Cooper, C, Canning, P, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Krojer, T, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-02-29 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
To be Published
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8VE9
 | | IsPETase - ACCCETN mutant - CombiPETase | | Descriptor: | CHLORIDE ION, GLYCEROL, Poly(ethylene terephthalate) hydrolase | | Authors: | Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C. | | Deposit date: | 2023-12-18 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
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2HZQ
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3L3J
 | | Crystal structure of HLA-B*4402 in complex with the F3A/R5A double mutant of a self-peptide derived from DPA*0201 | | Descriptor: | ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Theodossis, A, Ely, L.K, Rossjohn, J. | | Deposit date: | 2009-12-17 | | Release date: | 2010-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
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5CVR
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3L3D
 | | Crystal structure of HLA-B*4402 in complex with the F3A mutant of a self-peptide derived from DPA*0201 | | Descriptor: | ACETATE ION, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Theodossis, A, Ely, L.K, Rossjohn, J. | | Deposit date: | 2009-12-16 | | Release date: | 2010-03-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
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3KRQ
 | | Crystal structure of the complex of lactoperoxidase with a potent inhibitor amino-triazole at 2.2a resolution | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-AMINO-1,2,4-TRIAZOLE, ... | | Authors: | Singh, A.K, Singh, N, Sinha, M, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2009-11-19 | | Release date: | 2010-05-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | First structural evidence for the mode of diffusion of aromatic ligands and ligand-induced closure of the hydrophobic channel in heme peroxidases
J.Biol.Inorg.Chem., 15, 2010
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5D7U
 | | Crystal structure of the C-terminal domain of MMTV integrase | | Descriptor: | ISOPROPYL ALCOHOL, Pr160 | | Authors: | Cook, N.J, Pye, V.E, Ballandras-Colas, A, Engelman, A, Cherepanov, P. | | Deposit date: | 2015-08-14 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
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3KXO
 | | An orally active inhibitor bound at the active site of HPGDS | | Descriptor: | 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, ... | | Authors: | Kiefer, J.R, Day, J.E, Thorarensen, A. | | Deposit date: | 2009-12-03 | | Release date: | 2010-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of an oral potent selective inhibitor of hematopoietic prostaglandin D synthase
TO BE PUBLISHED
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4NR9
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with acetylated lysine | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N(6)-ACETYLLYSINE | | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-26 | | Release date: | 2013-12-25 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
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3L3K
 | | Crystal structure of HLA-B*4402 in complex with the R5A/F7A double mutant of a self-peptide derived from DPA*0201 | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Theodossis, A, Ely, L.K, Rossjohn, J. | | Deposit date: | 2009-12-17 | | Release date: | 2010-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
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1QYG
 | | ANTI-COCAINE ANTIBODY M82G2 COMPLEXED WITH BENZOYLECGONINE | | Descriptor: | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, FAB M82G2, HEAVY CHAIN, ... | | Authors: | Pozharski, E, Hewagama, A, Shanafelt, A, Petsko, G, Ringe, D. | | Deposit date: | 2003-09-10 | | Release date: | 2003-09-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Diversity in hapten recognition: structural study of an anti-cocaine antibody M82G2.
J.Mol.Biol., 349, 2005
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3LQB
 | | Crystal structure of the hatching enzyme ZHE1 from the zebrafish Danio rerio | | Descriptor: | 1,2-ETHANEDIOL, LOC792177 protein, SULFATE ION, ... | | Authors: | Tanokura, M, Okada, A, Nagata, K, Yasumasu, S, Ohtsuka, J, Iuchi, I. | | Deposit date: | 2010-02-08 | | Release date: | 2010-09-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure of zebrafish hatching enzyme 1 from the zebrafish Danio rerio
J.Mol.Biol., 402, 2010
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4DYL
 | | F-BAR domain of human FES tyrosine kinase | | Descriptor: | Tyrosine-protein kinase Fes/Fps | | Authors: | Ugochukwu, E, Salah, E, Elkins, J, Barr, A, Krojer, T, Filippakopoulos, P, Weigelt, J, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-02-29 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | F-BAR domain of human FES tyrosine kinase
TO BE PUBLISHED
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6CUI
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2AV9
 | | Crystal Structure of the PA5185 protein from Pseudomonas Aeruginosa Strain PAO1. | | Descriptor: | SULFATE ION, Thioesterase | | Authors: | Chruszcz, M, Wang, S, Cymborowski, M, Kudritska, M, Evdokimova, E, Edwards, A, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-08-29 | | Release date: | 2005-10-18 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Function-biased choice of additives for optimization of protein crystallization - the case of the putative thioesterase PA5185 from Pseudomonas aeruginosa PAO1.
Cryst.Growth Des., 8, 2008
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8POG
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3LWM
 | | Structure of the large fragment of thermus aquaticus DNA polymerase I in complex with a blunt-ended DNA and ddATP | | Descriptor: | 2',3'-dideoxyadenosine triphosphate, ACETATE ION, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(2DA))-3'), ... | | Authors: | Marx, A, Diederichs, K, Obeid, S. | | Deposit date: | 2010-02-24 | | Release date: | 2010-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.186 Å) | | Cite: | Replication through an abasic DNA lesion: structural basis for adenine selectivity
Embo J., 29, 2010
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