3GZ8
 
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3RTP
 | | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | | Descriptor: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | | Authors: | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | | Deposit date: | 2011-05-03 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
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3JYN
 | | Crystal structures of Pseudomonas syringae pv. Tomato DC3000 quinone oxidoreductase complexed with NADPH | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Quinone oxidoreductase | | Authors: | Pan, X, Zhang, H, Gao, Y, Li, M, Chang, W. | | Deposit date: | 2009-09-22 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structures of Pseudomonas syringae pv. tomato DC3000 quinone oxidoreductase and its complex with NADPH
Biochem.Biophys.Res.Commun., 390, 2009
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3OJX
 | | Disulfide crosslinked cytochrome P450 reductase inactive | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Xia, C, Hamdane, D, Shen, A, Choi, V, Kasper, C, Zhang, H, Im, S.-C, Waskell, L, Kim, J.-J.P. | | Deposit date: | 2010-08-23 | | Release date: | 2011-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conformational Changes of NADPH-Cytochrome P450 Oxidoreductase Are Essential for Catalysis and Cofactor Binding.
J.Biol.Chem., 286, 2011
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3OJW
 | | Disulfide crosslinked cytochrome P450 reductase inactive | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH-cytochrome P450 reductase | | Authors: | Xia, C, Hamdane, D, Shen, A, Choi, V, Kasper, C, Zhang, H, Im, S.-C, Waskell, L, Kim, J.-J.P. | | Deposit date: | 2010-08-23 | | Release date: | 2011-02-23 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conformational Changes of NADPH-Cytochrome P450 Oxidoreductase Are Essential for Catalysis and Cofactor Binding.
J.Biol.Chem., 286, 2011
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5CSD
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3PYY
 | | Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site | | Descriptor: | (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ... | | Authors: | Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B. | | Deposit date: | 2010-12-13 | | Release date: | 2011-03-09 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site.
Chem.Biol., 18, 2011
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7F6H
 | | Cryo-EM structure of human bradykinin receptor BK2R in complex Gq proteins and bradykinin | | Descriptor: | Bradykinin, Bradykinin receptor BK2R, CHOLESTEROL, ... | | Authors: | Shen, J, Zhang, D, Fu, Y, Chen, A, Zhang, H. | | Deposit date: | 2021-06-25 | | Release date: | 2022-01-05 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of human bradykinin receptor-G q proteins complexes.
Nat Commun, 13, 2022
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7F6I
 | | Cryo-EM structure of human bradykinin receptor BK2R in complex Gq proteins and kallidin | | Descriptor: | Bradykinin receptor BK2R, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Shen, J, Zhang, D, Fu, Y, Chen, A, Zhang, H. | | Deposit date: | 2021-06-25 | | Release date: | 2022-01-05 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structures of human bradykinin receptor-G q proteins complexes.
Nat Commun, 13, 2022
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7F6G
 | | Cryo-EM structure of human angiotensin receptor AT1R in complex Gq proteins and Sar1-AngII | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin receptor AT1R, CHOLESTEROL, ... | | Authors: | Zhang, D, Xu, L, Zhan, Y, Guo, J, Zhang, H. | | Deposit date: | 2021-06-25 | | Release date: | 2023-03-29 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural insights into angiotensin receptor signaling modulation by balanced and biased agonists.
Embo J., 42, 2023
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5GJJ
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5GYY
 | | Plant receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S-locus protein 11, S-receptor kinase SRK9 | | Authors: | Ma, R, Han, Z, Hu, Z, Lin, G, Gong, X, Zhang, H, June, N, Chai, J. | | Deposit date: | 2016-09-24 | | Release date: | 2017-09-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.351 Å) | | Cite: | Plant receptor complex at 2.35 Angstroms resolution
To Be Published
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5GNI
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5H49
 | | Crystal structure of Cbln1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1 | | Authors: | Zhong, C, Shen, J, Zhang, H, Ding, J. | | Deposit date: | 2016-10-31 | | Release date: | 2017-09-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
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4F3L
 | | Crystal Structure of the Heterodimeric CLOCK:BMAL1 Transcriptional Activator Complex | | Descriptor: | BMAL1b, Circadian locomoter output cycles protein kaput | | Authors: | Huang, N, Chelliah, Y, Shan, Y, Taylor, C, Yoo, S, Partch, C, Green, C.B, Zhang, H, Takahashi, J. | | Deposit date: | 2012-05-09 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.268 Å) | | Cite: | Crystal structure of the heterodimeric CLOCK:BMAL1 transcriptional activator complex.
Science, 337, 2012
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5I8J
 | | Crystal structure of Dmd from phage RB69 | | Descriptor: | Dmd discriminator of mRNA degradation | | Authors: | Wei, Y, Zhang, H, Gao, Z.Q, Dong, Y.H. | | Deposit date: | 2016-02-19 | | Release date: | 2017-02-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural characterizations of phage antitoxin Dmd and its interactions with bacterial toxin RnlA
Biochem. Biophys. Res. Commun., 472, 2016
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4O5P
 | | Crystal structure of an uncharacterized protein from Pseudomonas aeruginosa | | Descriptor: | Uncharacterized protein | | Authors: | Hu, H.D, Gao, Z.Q, Zhang, H, Dong, Y.H. | | Deposit date: | 2013-12-19 | | Release date: | 2014-08-13 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Structure of the type VI secretion phospholipase effector Tle1 provides insight into its hydrolysis and membrane targeting.
Acta Crystallogr.,Sect.D, 70, 2014
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4MGJ
 | | Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI | | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yang, Y, Zhang, H, Usharani, D, Bu, W, Im, S, Tarasev, M, Rwere, F, Meagher, J, Sun, C, Stuckey, J, Shaik, S, Waskell, L. | | Deposit date: | 2013-08-28 | | Release date: | 2014-08-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structural and Functional Characterization of a Cytochrome P450 2B4 F429H Mutant with an Axial Thiolate-Histidine Hydrogen Bond.
Biochemistry, 53, 2014
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5HNT
 | | Crystal Structure of AKR1C3 complexed with CAPE | | Descriptor: | 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, C, Zhao, Y, Zhang, H, Hu, X. | | Deposit date: | 2016-01-18 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of AKR1C3 complexed with octyl gallate
To Be Published
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5HNU
 | | Crystal Structure of AKR1C3 complexed with octyl gallate | | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, octyl 3,4,5-trihydroxybenzoate | | Authors: | Li, C, Zhao, Y, Zhang, H, Hu, X. | | Deposit date: | 2016-01-18 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of AKR1C3 complexed with octyl gallte
To Be Published
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4OQ6
 | | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid | | Descriptor: | 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | | Deposit date: | 2014-02-07 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
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5H14
 | | EED in complex with an allosteric PRC2 inhibitor EED666 | | Descriptor: | 2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ... | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-10-08 | | Release date: | 2017-01-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
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5H15
 | | EED in complex with PRC2 allosteric inhibitor EED709 | | Descriptor: | (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-10-08 | | Release date: | 2017-01-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
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4OQ5
 | | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid | | Descriptor: | 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | | Deposit date: | 2014-02-07 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
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4RWA
 | | Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide | | Authors: | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | Deposit date: | 2014-12-01 | | Release date: | 2015-01-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
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