5AR7
 
 | | RIP2 Kinase Catalytic Domain (1 - 310) complex with Biaryl Urea | | Descriptor: | 1-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)-3-(4-PYRIDIN-4-YLOXYPHENYL)UREA, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | | Deposit date: | 2015-09-24 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
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3IUE
 | | Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(5-Methylpyridin-2-ylsulfonylcarbamoyl)-1H-indol-1-yl) acetic acid | | Descriptor: | (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ... | | Authors: | Silvestre, H.L, Wen, S, Hung, A.W, Ciulli, A, Blundell, T.L, Abell, C. | | Deposit date: | 2009-08-31 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
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5Y15
 | | Crystal structure of human DUSP28 | | Descriptor: | Dual specificity phosphatase 28, PHOSPHATE ION | | Authors: | Ku, B, Hong, W, Kim, S.J, Ryu, S.E. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biochemical analysis of atypically low dephosphorylating activity of human dual-specificity phosphatase 28
PLoS ONE, 12, 2017
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5ERM
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7EJV
 | | The co-crystal structure of DYRK2 with YK-2-69 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone | | Authors: | Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P. | | Deposit date: | 2021-04-02 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer.
Nat Commun, 13, 2022
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1WER
 | | RAS-GTPASE-ACTIVATING DOMAIN OF HUMAN P120GAP | | Descriptor: | P120GAP | | Authors: | Scheffzek, K, Lautwein, A, Kabsch, W, Ahmadian, M.R, Wittinghofer, A. | | Deposit date: | 1996-11-20 | | Release date: | 1997-12-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the GTPase-activating domain of human p120GAP and implications for the interaction with Ras.
Nature, 384, 1996
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8HTI
 | | Human Consensus Olfactory Receptor OR52c in Complex with Octanoic Acid (OCA) and G Protein | | Descriptor: | Consensus Olfactory Receptor OR52c, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Choi, C.W, Bae, J, Choi, H.-J, Kim, J. | | Deposit date: | 2022-12-21 | | Release date: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family.
Nat Commun, 14, 2023
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5YNW
 | | Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903 in complex with DMASPP and INN | | Descriptor: | 3-[(Z)-2-isocyanoethenyl]-1H-indole, DIMETHYLALLYL S-THIOLODIPHOSPHATE, GLYCEROL, ... | | Authors: | Wang, J, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-10-25 | | Release date: | 2018-08-29 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
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4QAU
 | | Crystal structure of F43Y mutant of sperm whale myoglobin | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lin, Y, Tan, X, Li, W. | | Deposit date: | 2014-05-06 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.597 Å) | | Cite: | A Novel Tyrosine-Heme C-O Covalent Linkage in F43Y Myoglobin: A New Post-translational Modification of Heme Proteins
Chembiochem, 16, 2015
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6V3E
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5YSW
 | | Crystal Structure Analysis of Rif16 in complex with R-L | | Descriptor: | (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y. | | Deposit date: | 2017-11-15 | | Release date: | 2018-07-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Deciphering the late steps of rifamycin biosynthesis.
Nat Commun, 9, 2018
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5WGQ
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with Estradiol and SRC2-BCP1 | | Descriptor: | ESTRADIOL, Estrogen receptor, SRC2-BCP1 | | Authors: | Fanning, S.W, Speltz, T.E, Mayne, C.G, Siddiqui, Z, Greene, G.L, Tajkhorshid, E, Moore, T.W. | | Deposit date: | 2017-07-14 | | Release date: | 2018-06-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A "cross-stitched" peptide with improved helicity and proteolytic stability.
Org. Biomol. Chem., 16, 2018
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7NRO
 | | Crystal structure of AlkB in complex with manganese and N-(4-((6-((carboxymethyl)carbamoyl)-5-hydroxypyridin-2-yl)amino)phenyl)-N-oxohydroxylammonium | | Descriptor: | 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | | Authors: | Shishodia, S, Maheswaran, P, Leissing, T, Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2021-03-04 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
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5F63
 | | Crystal structure of the first bromodomain of human BRD4 in complex with SG3-179 | | Descriptor: | 1,2-ETHANEDIOL, 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | | Authors: | Ember, S.W, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2015-12-04 | | Release date: | 2017-02-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics.
Mol. Cancer Ther., 16, 2017
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4PWX
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3IIW
 | | Crystal structure of Eed in complex with a trimethylated histone H3K27 peptide | | Descriptor: | Histone H3 peptide, Polycomb protein EED | | Authors: | Justin, N, Sharpe, M.L, Martin, S, Taylor, W.R, De Marco, V, Gamblin, S.J. | | Deposit date: | 2009-08-03 | | Release date: | 2009-09-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of the polycomb protein EED in the propagation of repressive histone marks.
Nature, 461, 2009
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8HVN
 | | Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF07321332 | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Li, W.W, Zhang, J, Li, J. | | Deposit date: | 2022-12-27 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
P132H mutant in complex with PF07321332
To Be Published
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1O6T
 | | Internalin (INLA, Listeria monocytogenes) - functional domain, uncomplexed | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Schubert, W.-D, Urbanke, C, Ziehm, T, Beier, V, Machner, M.P, Domann, E, Wehland, J, Chakraborty, T, Heinz, D.W. | | Deposit date: | 2002-10-15 | | Release date: | 2002-12-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of Internalin, a Major Invasion Protein of Listeria Monocytogenes, in Complex with its Human Receptor E-Cadherin
Cell(Cambridge,Mass.), 111, 2002
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5F5M
 | | Crystal structure of Marburg virus nucleoprotein core domain | | Descriptor: | Nucleoprotein | | Authors: | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | | Deposit date: | 2015-12-04 | | Release date: | 2017-05-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
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3EZJ
 | | Crystal structure of the N-terminal domain of the secretin GspD from ETEC determined with the assistance of a nanobody | | Descriptor: | CHLORIDE ION, General secretion pathway protein GspD, NANOBODY NBGSPD_7, ... | | Authors: | Korotkov, K.V, Pardon, E, Steyaert, J, Hol, W.G. | | Deposit date: | 2008-10-22 | | Release date: | 2009-02-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the N-terminal domain of the secretin GspD from ETEC determined with the assistance of a nanobody.
Structure, 17, 2009
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5WCO
 | | Matrix Protein (M1) of Infectious Salmon Anaemia Virus | | Descriptor: | NS2 | | Authors: | Zhang, W, Zheng, W, Toh, Y, Betancourt, M.A, Tu, J, Fan, Y, Vakharia, V, Liu, J, McNew, J.A, Jin, M, Tao, Y.J. | | Deposit date: | 2017-07-01 | | Release date: | 2017-08-16 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.604 Å) | | Cite: | Crystal structure of an orthomyxovirus matrix protein reveals mechanisms for self-polymerization and membrane association.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4Q5W
 | | Crystal structure of extended-Tudor 9 of Drosophila melanogaster | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Maternal protein tudor | | Authors: | Ren, R, Liu, H, Wang, W, Wang, M, Yang, N, Dong, Y, Gong, W, Lehmann, R, Xu, R.M. | | Deposit date: | 2014-04-17 | | Release date: | 2014-05-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structure and domain organization of Drosophila Tudor
Cell Res., 24, 2014
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3IOU
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8IPL
 | | The structure of human mitochondrial methyltransferase METTL15 with RBFA and SAM | | Descriptor: | 12S rRNA N4-methylcytidine (m4C) methyltransferase, Putative ribosome-binding factor A, mitochondrial, ... | | Authors: | Lv, M.Q, Zhou, W.W. | | Deposit date: | 2023-03-14 | | Release date: | 2024-01-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into the specific recognition of mitochondrial ribosome-binding factor hsRBFA and 12 S rRNA by methyltransferase METTL15.
Cell Discov, 10, 2024
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3IS9
 | | Crystal structure of the HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate). | | Descriptor: | Reverse transcriptase, Reverse transcriptase/ribonuclease H, dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate) | | Authors: | Ho, W.C, Bauman, J.D, Das, K, Arnold, E. | | Deposit date: | 2009-08-25 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystallographic study of a novel subnanomolar inhibitor provides insight on the binding interactions of alkenyldiarylmethanes with human immunodeficiency virus-1 reverse transcriptase.
J.Med.Chem., 52, 2009
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