4ENF
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![BU of 4enf by Molmil](/molmil-images/mine/4enf) | Crystal structure of the cap-binding domain of polymerase basic protein 2 from influenza virus A/Puerto Rico/8/34(h1n1) | Descriptor: | 1,4-BUTANEDIOL, NITRATE ION, Polymerase basic protein 2 | Authors: | Meng, G, Liu, Y, Zheng, X. | Deposit date: | 2012-04-13 | Release date: | 2013-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Structural and functional characterization of K339T substitution identified in the PB2 subunit cap-binding pocket of influenza A virus J.Biol.Chem., 288, 2013
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4ES5
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4EHQ
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![BU of 4ehq by Molmil](/molmil-images/mine/4ehq) | Crystal Structure of Calmodulin Binding Domain of Orai1 in Complex with Ca2+/Calmodulin Displays a Unique Binding Mode | Descriptor: | CALCIUM ION, Calcium release-activated calcium channel protein 1, Calmodulin, ... | Authors: | Liu, Y, Zheng, X, Mueller, G.A, Sobhany, M, DeRose, E.F, Zhang, Y, London, R.E, Birnbaumer, L. | Deposit date: | 2012-04-03 | Release date: | 2012-11-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9005 Å) | Cite: | Crystal structure of calmodulin binding domain of orai1 in complex with ca2+*calmodulin displays a unique binding mode. J.Biol.Chem., 287, 2012
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5JZV
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![BU of 5jzv by Molmil](/molmil-images/mine/5jzv) | The structure of D77G hCINAP-ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase isoenzyme 6 | Authors: | Liu, Y, Yang, Z, Yang, Y, Cai, X, Zheng, X. | Deposit date: | 2016-05-17 | Release date: | 2016-08-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The ATPase hCINAP regulates 18S rRNA processing and is essential for embryogenesis and tumour growth. Nat Commun, 7, 2016
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3MX7
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2OZV
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![BU of 2ozv by Molmil](/molmil-images/mine/2ozv) | Crystal structure of a predicted O-methyltransferase, protein Atu636 from Agrobacterium tumefaciens. | Descriptor: | Hypothetical protein Atu0636 | Authors: | Cuff, M.E, Xu, X, Zheng, X, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-02-27 | Release date: | 2007-03-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of a predicted O-methyltransferase, protein Atu636 from Agrobacterium tumefaciens. TO BE PUBLISHED
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4H5Y
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![BU of 4h5y by Molmil](/molmil-images/mine/4h5y) | High-resolution crystal structure of Legionella pneumophila LidA (60-594) | Descriptor: | LidA protein, substrate of the Dot/Icm system | Authors: | An, X, Ye, S, Liu, Y, Zheng, X, Zhang, R. | Deposit date: | 2012-09-19 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of LidA, a translocated substrate of the Legionella pneumophila type IV secretion system. Protein Cell, 4, 2013
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4GQG
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![BU of 4gqg by Molmil](/molmil-images/mine/4gqg) | Crystal structure of AKR1B10 complexed with NADP+ | Descriptor: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, L, Zheng, X, Chen, S, Zhai, J, Hu, X. | Deposit date: | 2012-08-23 | Release date: | 2013-08-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111) Febs Lett., 587, 2013
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4JIH
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![BU of 4jih by Molmil](/molmil-images/mine/4jih) | Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat | Descriptor: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid | Authors: | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC) | Deposit date: | 2013-03-06 | Release date: | 2013-10-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111). Febs Lett., 587, 2013
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4JIR
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![BU of 4jir by Molmil](/molmil-images/mine/4jir) | Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | Authors: | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X. | Deposit date: | 2013-03-06 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111). Febs Lett., 587, 2013
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4I5X
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![BU of 4i5x by Molmil](/molmil-images/mine/4i5x) | Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid | Descriptor: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, L, Zheng, X, Chen, S, Zhai, J, Zhang, H, Zhao, Y. | Deposit date: | 2012-11-29 | Release date: | 2013-10-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111) Febs Lett., 587, 2013
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4JNM
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![BU of 4jnm by Molmil](/molmil-images/mine/4jnm) | Discovery of Potent and Efficacious Urea-containing Nicotinamide Phosphoribosyltransferase (NAMPT) Inhibitors with Reduced CYP2C9 Inhibition Properties | Descriptor: | 1,2-ETHANEDIOL, 1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea, Nicotinamide phosphoribosyltransferase, ... | Authors: | Gunzner-Toste, J, Zhao, G, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Fu, B, Han, B, Ho, Y, Kley, N, Liederer, B, Lin, J, Mukadam, S, O'Brien, T, Reynolds, D.J, Sharma, G, Skelton, N, Smith, C.C, Oh, A, Wang, W, Wang, Z, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X, Bair, K.W, Dragovich, P.S. | Deposit date: | 2013-03-15 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties. Bioorg.Med.Chem.Lett., 23, 2013
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4AY5
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![BU of 4ay5 by Molmil](/molmil-images/mine/4ay5) | Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GTAB1TIDE, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYL TRANSFERASE 110 KDA SUBUNIT, ... | Authors: | Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F. | Deposit date: | 2012-06-18 | Release date: | 2012-10-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis Nat.Chem.Biol., 8, 2012
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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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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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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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2KW1
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![BU of 2kw1 by Molmil](/molmil-images/mine/2kw1) | Solution structure of CTD | Descriptor: | Fas apoptotic inhibitory molecule 1 | Authors: | Ma, S, Zheng, X, Jin, C. | Deposit date: | 2010-03-30 | Release date: | 2011-04-13 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of CTD To be Published
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5JJY
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![BU of 5jjy by Molmil](/molmil-images/mine/5jjy) | Crystal structure of SETD2 bound to histone H3.3 K36M peptide | Descriptor: | Histone H3.3, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Yang, S, Zheng, X, Li, H. | Deposit date: | 2016-04-25 | Release date: | 2016-11-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.053 Å) | Cite: | Molecular basis for oncohistone H3 recognition by SETD2 methyltransferase Genes Dev., 30, 2016
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5JLE
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![BU of 5jle by Molmil](/molmil-images/mine/5jle) | Crystal structure of SETD2 bound to SAH | Descriptor: | Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | Authors: | Li, H, Yang, S, Zheng, X. | Deposit date: | 2016-04-27 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for oncohistone H3 recognition by SETD2 methyltransferase Genes Dev., 30, 2016
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3QE6
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![BU of 3qe6 by Molmil](/molmil-images/mine/3qe6) | Mouse PACSIN 3 F-BAR domain structure | Descriptor: | MAGNESIUM ION, Protein kinase C and casein kinase II substrate protein 3 | Authors: | Meng, G, Bai, X, Zheng, X. | Deposit date: | 2011-01-19 | Release date: | 2012-01-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Rigidity of wedge loop in PACSIN 3 protein is a key factor in dictating diameters of tubules J.Biol.Chem., 287, 2012
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3QNI
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3Q0K
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![BU of 3q0k by Molmil](/molmil-images/mine/3q0k) | Crystal structure of Human PACSIN 2 F-BAR | Descriptor: | CALCIUM ION, Protein kinase C and casein kinase substrate in neurons protein 2 | Authors: | Bai, X, Meng, G, Zheng, X. | Deposit date: | 2010-12-15 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of human PACSIN 2 F-BAR domain To be Published
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3RFE
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![BU of 3rfe by Molmil](/molmil-images/mine/3rfe) | Crystal structure of glycoprotein GPIb ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Platelet glycoprotein Ib beta chain, ... | Authors: | McEwan, P.A, Yang, W, Carr, K.H, Mo, X, Zheng, X, Li, R, Emsley, J. | Deposit date: | 2011-04-06 | Release date: | 2011-12-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.245 Å) | Cite: | Quaternary organization of GPIb-IX complex and insights into Bernard-Soulier syndrome revealed by the structures of GPIbbeta and a GPIbbeta/GPIX chimer Blood, 118, 2011
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5B73
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![BU of 5b73 by Molmil](/molmil-images/mine/5b73) | Crystal structure of human ZMYND8 PHD-Bromo-PWWP domain | Descriptor: | Protein kinase C-binding protein 1, ZINC ION | Authors: | Li, H, Li, Y, Zheng, X. | Deposit date: | 2016-06-03 | Release date: | 2016-11-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | ZMYND8 Reads the Dual Histone Mark H3K4me1-H3K14ac to Antagonize the Expression of Metastasis-Linked Genes Mol.Cell, 63, 2016
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3REZ
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![BU of 3rez by Molmil](/molmil-images/mine/3rez) | glycoprotein GPIb variant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Platelet glycoprotein Ib beta chain, ... | Authors: | McEwan, P.A, Yang, W, Carr, K.H, Mo, X, Zheng, X, Li, R, Emsley, J. | Deposit date: | 2011-04-05 | Release date: | 2012-02-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Quaternary organization of GPIb-IX complex and insights into Bernard-Soulier syndrome revealed by the structures of GPIb beta and a GPIb beta/GPIX chimera Blood, 118, 2011
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