4BYI
 
 | | Aurora A kinase bound to a highly selective imidazopyridine inhibitor | | Descriptor: | (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide, AURORA KINASE A | | Authors: | Joshi, A, Kosmopoulou, M, Bayliss, R. | | Deposit date: | 2013-07-19 | | Release date: | 2013-11-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
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7SIU
 | | Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745 | | Descriptor: | 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION | | Authors: | Longenecker, K.L, Korepanova, A, Qiu, W. | | Deposit date: | 2021-10-14 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.786 Å) | | Cite: | The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy.
Acs Chem.Biol., 17, 2022
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6E6J
 | | BRD2_Bromodomain2 complex with inhibitor 744 | | Descriptor: | Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | | Authors: | Longenecker, K.L, Park, C.H, Bigelow, L. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
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5AAF
 | | Aurora A kinase bound to an imidazopyridine inhibitor (14a) | | Descriptor: | 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-N,N-dimethylbenzamide, AURORA KINASE A | | Authors: | McIntyre, P.J, Bayliss, R. | | Deposit date: | 2015-07-24 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
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5AYW
 | | Structure of a membrane complex | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Huang, Y, Han, L, Zheng, J. | | Deposit date: | 2015-09-14 | | Release date: | 2016-02-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.555 Å) | | Cite: | Structure of the BAM complex and its implications for biogenesis of outer-membrane proteins
Nat.Struct.Mol.Biol., 23, 2016
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5TFR
 | | Crystal structure of Zika Virus NS5 protein | | Descriptor: | Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | Authors: | Longenecker, K.L, Upadhyay, A.K. | | Deposit date: | 2016-09-26 | | Release date: | 2016-10-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Crystal structure of full-length Zika virus NS5 protein reveals a conformation similar to Japanese encephalitis virus NS5.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5TEG
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5U8F
 | | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | | Descriptor: | (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | | Authors: | Jakob, C.G, Zhu, H. | | Deposit date: | 2016-12-14 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.343 Å) | | Cite: | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
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5U69
 | | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine | | Descriptor: | (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | | Authors: | Jakob, C.G, Zhu, H. | | Deposit date: | 2016-12-07 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
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5U8A
 | | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | | Descriptor: | (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | | Authors: | Jakob, C.G, Zhu, H. | | Deposit date: | 2016-12-14 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
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5U6D
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5VAR
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5WTL
 | | Crystal structure of the periplasmic portion of outer membrane protein A (OmpA) from Capnocytophaga gingivalis | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, OmpA family protein, ... | | Authors: | Dai, S, Tan, K, Ye, S, Zhang, R. | | Deposit date: | 2016-12-13 | | Release date: | 2017-12-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | Structure of thrombospondin type 3 repeats in bacterial outer membrane protein A reveals its intra-repeat disulfide bond-dependent calcium-binding capability.
Cell Calcium, 66, 2017
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5WTP
 | | Crystal structure of the C-terminal domain of outer membrane protein A (OmpA) from Capnocytophaga gingivalis | | Descriptor: | OmpA family protein, SULFATE ION | | Authors: | Dai, S, Tan, K, Ye, S, Zhang, R. | | Deposit date: | 2016-12-13 | | Release date: | 2017-12-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of thrombospondin type 3 repeats in bacterial outer membrane protein A reveals its intra-repeat disulfide bond-dependent calcium-binding capability.
Cell Calcium, 66, 2017
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5WI0
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5WI1
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8IQ1
 | | Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C. | | Deposit date: | 2023-03-15 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
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8IQ0
 | | Crystal structure of hydrogen sulfide-bound superoxide dismutase in oxidized state | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C. | | Deposit date: | 2023-03-15 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
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5X5Y
 | | A membrane protein complex | | Descriptor: | Probable ATP-binding component of ABC transporter, Uncharacterized protein | | Authors: | Luo, Q, Yang, X, Huang, Y. | | Deposit date: | 2017-02-18 | | Release date: | 2017-04-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.465 Å) | | Cite: | Structural basis for lipopolysaccharide extraction by ABC transporter LptB2FG
Nat. Struct. Mol. Biol., 24, 2017
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3P9U
 | | Crystal structure of TetX2 from Bacteroides thetaiotaomicron with substrate analogue | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TetX2 protein | | Authors: | Walkiewicz, K, Davlieva, M, Sun, C, Lau, K, Shamoo, Y. | | Deposit date: | 2010-10-18 | | Release date: | 2011-04-27 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Crystal structure of Bacteroides thetaiotaomicron TetX2: a tetracycline degrading monooxygenase at 2.8 A resolution.
Proteins, 79, 2011
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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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2JHB
 | | CORE BINDING FACTOR BETA | | Descriptor: | PROTEIN (CORE BINDING FACTOR BETA) | | Authors: | Huang, X, Peng, J, Speck, N.A, Bushweller, J.H. | | Deposit date: | 1999-03-17 | | Release date: | 1999-07-05 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of core binding factor beta and map of the CBF alpha binding site.
Nat.Struct.Biol., 6, 1999
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