8V2F
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![BU of 8v2f by Molmil](/molmil-images/mine/8v2f) | Crystal structure of IRAK4 kinase domain with compound 9 | Descriptor: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | Deposit date: | 2023-11-22 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma. J.Med.Chem., 67, 2024
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8V1O
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![BU of 8v1o by Molmil](/molmil-images/mine/8v1o) | Crystal structure of IRAK4 kinase domain with compound 4 | Descriptor: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | Deposit date: | 2023-11-21 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma. J.Med.Chem., 67, 2024
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4JTT
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![BU of 4jtt by Molmil](/molmil-images/mine/4jtt) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 066 | Descriptor: | 2,4-dimethyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Zhu, L, Li, H, Zhu, J, Ren, X. | Deposit date: | 2013-03-24 | Release date: | 2014-03-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 057 TO BE PUBLISHED
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8V2L
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![BU of 8v2l by Molmil](/molmil-images/mine/8v2l) | Crystal structure of IRAK4 kinase domain with compound 8 | Descriptor: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | Deposit date: | 2023-11-22 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma. J.Med.Chem., 67, 2024
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5IET
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![BU of 5iet by Molmil](/molmil-images/mine/5iet) | Crystal Structure of Mycobacterium Tuberculosis ATP-independent Proteasome activator | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Bacterial proteasome activator, SULFATE ION | Authors: | Bai, L, Hu, K, Wang, T, Jastrab, J.B, Darwin, K.H, Li, H. | Deposit date: | 2016-02-25 | Release date: | 2016-03-30 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural analysis of the dodecameric proteasome activator PafE in Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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4L4C
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![BU of 4l4c by Molmil](/molmil-images/mine/4l4c) | Structure of L358P/K178G mutant of P450cam bound to camphor | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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4L4D
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![BU of 4l4d by Molmil](/molmil-images/mine/4l4d) | Structure of cyanide and camphor bound P450cam mutant L358A | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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5IEU
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![BU of 5ieu by Molmil](/molmil-images/mine/5ieu) | Crystal Structure of Mycobacterium Tuberculosis ATP-independent Proteasome Activator Tetramer | Descriptor: | Bacterial proteasome activator | Authors: | Bai, L, Hu, K, Wang, T, Jastrab, J.B, Darwin, K.H, Li, H. | Deposit date: | 2016-02-25 | Release date: | 2016-03-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural analysis of the dodecameric proteasome activator PafE in Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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5WXH
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![BU of 5wxh by Molmil](/molmil-images/mine/5wxh) | Crystal structure of TAF3 PHD finger bound to H3K4me3 | Descriptor: | Histone H3K4me3, Transcription initiation factor TFIID subunit 3, ZINC ION | Authors: | Zhao, S, Huang, J, Li, H. | Deposit date: | 2017-01-07 | Release date: | 2017-08-16 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (1.297 Å) | Cite: | Kinetic and high-throughput profiling of epigenetic interactions by 3D-carbene chip-based surface plasmon resonance imaging technology Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5WXG
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![BU of 5wxg by Molmil](/molmil-images/mine/5wxg) | Structure of TAF PHD finger domain binds to H3(1-15)K4ac | Descriptor: | Histone H3K4ac, MAGNESIUM ION, Transcription initiation factor TFIID subunit 3, ... | Authors: | Zhao, S, Li, H. | Deposit date: | 2017-01-07 | Release date: | 2017-08-16 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (1.703 Å) | Cite: | Kinetic and high-throughput profiling of epigenetic interactions by 3D-carbene chip-based surface plasmon resonance imaging technology Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4L4E
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![BU of 4l4e by Molmil](/molmil-images/mine/4l4e) | Structure of cyanide and camphor bound P450cam mutant L358A/K178G | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.261 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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5V8F
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![BU of 5v8f by Molmil](/molmil-images/mine/5v8f) | Structural basis of MCM2-7 replicative helicase loading by ORC-Cdc6 and Cdt1 | Descriptor: | Cell division control protein 6, Cell division cycle protein CDT1, DNA (39-MER), ... | Authors: | Yuan, Z, Riera, A, Bai, L, Sun, J, Spanos, C, Chen, Z.A, Barbon, M, Rappsilber, J, Stillman, B, Speck, C, Li, H. | Deposit date: | 2017-03-21 | Release date: | 2017-05-10 | Last modified: | 2020-04-22 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis of Mcm2-7 replicative helicase loading by ORC-Cdc6 and Cdt1. Nat. Struct. Mol. Biol., 24, 2017
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5UOC
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![BU of 5uoc by Molmil](/molmil-images/mine/5uoc) | Structure of human endothelial nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2017-01-31 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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5UR9
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![BU of 5ur9 by Molmil](/molmil-images/mine/5ur9) | Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 | Descriptor: | (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid, Fatty acid-binding protein, epidermal, ... | Authors: | Hsu, H.-C, Li, H. | Deposit date: | 2017-02-09 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.19800353 Å) | Cite: | The Antinociceptive Agent SBFI-26 Binds to Anandamide Transporters FABP5 and FABP7 at Two Different Sites. Biochemistry, 56, 2017
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4JX1
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![BU of 4jx1 by Molmil](/molmil-images/mine/4jx1) | Crystal structure of reduced Cytochrome P450cam-putidaredoxin complex bound to camphor and 5-exo-hydroxycamphor | Descriptor: | 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione, 5-EXO-HYDROXYCAMPHOR, CALCIUM ION, ... | Authors: | Tripathi, S.M, Li, H, Poulos, T.L. | Deposit date: | 2013-03-27 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.087 Å) | Cite: | Structural basis for effector control and redox partner recognition in cytochrome P450. Science, 340, 2013
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4K5H
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![BU of 4k5h by Molmil](/molmil-images/mine/4k5h) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with (S)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2013-04-14 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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5WM9
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![BU of 5wm9 by Molmil](/molmil-images/mine/5wm9) | |
6BS8
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![BU of 6bs8 by Molmil](/molmil-images/mine/6bs8) | The class 3 DnaB intein from Mycobacterium smegmatis | Descriptor: | Replicative DNA helicase | Authors: | Li, Z, Kelley, D.S, Banavali, N, Belfort, M, Li, H. | Deposit date: | 2017-12-01 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mycobacterial DnaB helicase intein as oxidative stress sensor. Nat Commun, 9, 2018
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4LZK
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![BU of 4lzk by Molmil](/molmil-images/mine/4lzk) | |
4LS0
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![BU of 4ls0 by Molmil](/molmil-images/mine/4ls0) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH01B0033 | Descriptor: | 2-{(E)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Zhu, L, Li, H, Ren, X, Zhu, J. | Deposit date: | 2013-07-21 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DHO1B0033 To be Published
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4M7O
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![BU of 4m7o by Molmil](/molmil-images/mine/4m7o) | |
4LS2
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![BU of 4ls2 by Molmil](/molmil-images/mine/4ls2) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A313 | Descriptor: | 2-[(E)-{2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Zhu, L, Li, H, Ren, X, Zhu, J. | Deposit date: | 2013-07-21 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A313 To be Published
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5YF1
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![BU of 5yf1 by Molmil](/molmil-images/mine/5yf1) | Crystal structure of CARNMT1 bound to carnosine and SFG | Descriptor: | (2~{S})-2-(3-azanylpropanoylamino)-3-(1~{H}-imidazol-4-yl)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Cao, R, Li, H. | Deposit date: | 2017-09-20 | Release date: | 2018-08-01 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Molecular basis for histidine N1 position-specific methylation by CARNMT1. Cell Res., 28, 2018
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5YF0
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![BU of 5yf0 by Molmil](/molmil-images/mine/5yf0) | Crystal structure of CARNMT1 bound to SAM | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Cao, R, Zhang, X, Li, H. | Deposit date: | 2017-09-20 | Release date: | 2018-08-01 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Molecular basis for histidine N1 position-specific methylation by CARNMT1. Cell Res., 28, 2018
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8IHQ
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![BU of 8ihq by Molmil](/molmil-images/mine/8ihq) | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 | Descriptor: | Amidohydrolase family protein, ZINC ION | Authors: | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-02-23 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase. J Hazard Mater, 458, 2023
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