4JNA
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![BU of 4jna by Molmil](/molmil-images/mine/4jna) | Crystal structure of the DepH complex with dimethyl-FK228 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DepH, ... | Authors: | Li, J, Wang, C, Zhang, Z.M, Zhou, J.H, Cheng, E. | Deposit date: | 2013-03-14 | Release date: | 2014-03-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structural basis of an NADP+-independent dithiol oxidase in FK228 biosynthesis. Sci Rep, 4, 2014
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4F28
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![BU of 4f28 by Molmil](/molmil-images/mine/4f28) | The Crystal Structure of a Human MitoNEET mutant with Met 62 Replaced by a Gly | Descriptor: | CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | Authors: | Baxter, E.L, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A. | Deposit date: | 2012-05-07 | Release date: | 2012-12-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Allosteric control in a metalloprotein dramatically alters function. Proc.Natl.Acad.Sci.USA, 110, 2013
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6AJK
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![BU of 6ajk by Molmil](/molmil-images/mine/6ajk) | Crystal structure of TFB1M and h45 in homo sapiens | Descriptor: | Dimethyladenosine transferase 1, mitochondrial, RNA (28-MER) | Authors: | Liu, X, Shen, S, Wu, P, Li, F, Wang, C, Gong, Q, Wu, J, Zhang, H, Shi, Y. | Deposit date: | 2018-08-28 | Release date: | 2019-06-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function. Nucleic Acids Res., 47, 2019
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6AO4
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4L15
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![BU of 4l15 by Molmil](/molmil-images/mine/4l15) | Crystal structure of FIGL-1 AAA domain | Descriptor: | Fidgetin-like protein 1, TRIS(HYDROXYETHYL)AMINOMETHANE | Authors: | Peng, W, Lin, Z, Li, W, Lu, J, Shen, Y, Wang, C. | Deposit date: | 2013-06-02 | Release date: | 2013-09-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insights into the unusually strong ATPase activity of the AAA domain of the Caenorhabditis elegans fidgetin-like 1 (FIGL-1) protein. J.Biol.Chem., 288, 2013
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4L16
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![BU of 4l16 by Molmil](/molmil-images/mine/4l16) | Crystal structure of FIGL-1 AAA domain in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Fidgetin-like protein 1 | Authors: | Peng, W, Lin, Z, Li, W, Lu, J, Shen, Y, Wang, C. | Deposit date: | 2013-06-02 | Release date: | 2013-09-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into the unusually strong ATPase activity of the AAA domain of the Caenorhabditis elegans fidgetin-like 1 (FIGL-1) protein. J.Biol.Chem., 288, 2013
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4H07
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![BU of 4h07 by Molmil](/molmil-images/mine/4h07) | Complex of G65T Myoglobin with Phenol in its Proximal Cavity | Descriptor: | 1,2-ETHANEDIOL, Myoglobin, PHENOL, ... | Authors: | Lebioda, L, Lovelace, L.L, Celeste, L.R, Huang, X, Wang, C, Shengfang, S, Dawson, J.H. | Deposit date: | 2012-09-07 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Complex of myoglobin with phenol bound in a proximal cavity. Acta Crystallogr.,Sect.F, 68, 2012
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6AO3
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8WJY
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![BU of 8wjy by Molmil](/molmil-images/mine/8wjy) | PKMYT1_Cocrystal_Cpd 4 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | Authors: | Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A. | Deposit date: | 2023-09-26 | Release date: | 2023-11-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Discovery of Tetrahydropyrazolopyrazine Derivatives as Potent and Selective MYT1 Inhibitors for the Treatment of Cancer. J.Med.Chem., 67, 2024
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5Y4E
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![BU of 5y4e by Molmil](/molmil-images/mine/5y4e) | Crystal Structure of AnkB Ankyrin Repeats R8-14 in complex with autoinhibition segment AI-b | Descriptor: | Ankyrin-2,Ankyrin-2, GLYCEROL, SULFATE ION | Authors: | Chen, K, Li, J, Wang, C, Wei, Z, Zhang, M. | Deposit date: | 2017-08-03 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.341 Å) | Cite: | Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions. Elife, 6, 2017
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5Y4D
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![BU of 5y4d by Molmil](/molmil-images/mine/5y4d) | Crystal Structure of AnkB Ankyrin Repeats in Complex with AnkR/AnkB Chimeric Autoinhibition Segment | Descriptor: | Ankyrin-1,Ankyrin-2,Ankyrin-2, SULFATE ION | Authors: | Chen, K, Li, J, Wang, C, Wei, Z, Zhang, M. | Deposit date: | 2017-08-03 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions. Elife, 6, 2017
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4H0B
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![BU of 4h0b by Molmil](/molmil-images/mine/4h0b) | Complex of G65T Myoglobin with DMSO in its Distal Cavity | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Myoglobin, ... | Authors: | Lebioda, L, Lovelace, L.L, Celeste, L.R, Huang, X, Wang, C, Shengfang, S, Dawson, J.H. | Deposit date: | 2012-09-07 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Complex of myoglobin with phenol bound in a proximal cavity. Acta Crystallogr.,Sect.F, 68, 2012
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6BZ9
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![BU of 6bz9 by Molmil](/molmil-images/mine/6bz9) | Crystal structure of human caspase-1 in complex with Ac-FLTD-CMK | Descriptor: | Ac-FLTD-CMK, Caspase-1, DI(HYDROXYETHYL)ETHER | Authors: | Xiao, T.S, Yang, J, Liu, Z, Wang, C, Yang, R. | Deposit date: | 2017-12-22 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Mechanism of gasdermin D recognition by inflammatory caspases and their inhibition by a gasdermin D-derived peptide inhibitor. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4KEG
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![BU of 4keg by Molmil](/molmil-images/mine/4keg) | Crystal Structure of MBP Fused Human SPLUNC1 | Descriptor: | MAGNESIUM ION, Maltose-binding periplasmic/Palate lung and nasal epithelium clone fusion protein, octyl beta-D-glucopyranoside | Authors: | Ning, F, Wang, C, Niu, L, Chu, H.W, Zhang, G. | Deposit date: | 2013-04-25 | Release date: | 2014-04-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Lipid Ligands of the SPLUNC1 Protein To be Published
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3EYG
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![BU of 3eyg by Molmil](/molmil-images/mine/3eyg) | Crystal structures of JAK1 and JAK2 inhibitor complexes | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase | Authors: | Williams, N.K, Bamert, R.S, Patell, O, Wang, C, Walden, P.M, Fantino, E. | Deposit date: | 2008-10-20 | Release date: | 2009-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains. J.Mol.Biol., 387, 2009
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4N40
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![BU of 4n40 by Molmil](/molmil-images/mine/4n40) | Crystal structure of human Epithelial cell-transforming sequence 2 protein | Descriptor: | Protein ECT2 | Authors: | Zou, Y, Shao, Z.H, Li, F.D, Gong, D, Wang, C, Gong, Q, Shi, Y. | Deposit date: | 2013-10-08 | Release date: | 2014-08-27 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3.106 Å) | Cite: | Crystal structure of triple-BRCT-domain of ECT2 and insights into the binding characteristics to CYK-4 Febs Lett., 588, 2014
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7EVJ
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![BU of 7evj by Molmil](/molmil-images/mine/7evj) | Crystal structure of CBP bromodomain liganded with 9c | Descriptor: | 3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate, CREB-binding protein, GLYCEROL, ... | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | Deposit date: | 2021-05-21 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer. J.Med.Chem., 65, 2022
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4O8H
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![BU of 4o8h by Molmil](/molmil-images/mine/4o8h) | 0.85A resolution structure of PEG 400 Bound Cyclophilin D | Descriptor: | DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Lovell, S, Valasani, K.R, Battaile, K.P, Wang, C, Yan, S.S. | Deposit date: | 2013-12-27 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | High-resolution crystal structures of two crystal forms of human cyclophilin D in complex with PEG 400 molecules. Acta Crystallogr F Struct Biol Commun, 70, 2014
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4OR2
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![BU of 4or2 by Molmil](/molmil-images/mine/4or2) | Human class C G protein-coupled metabotropic glutamate receptor 1 in complex with a negative allosteric modulator | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide, CHOLESTEROL, ... | Authors: | Wu, H, Wang, C, Gregory, K.J, Han, G.W, Cho, H.P, Xia, Y, Niswender, C.M, Katritch, V, Cherezov, V, Conn, P.J, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2014-02-10 | Release date: | 2014-03-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator Science, 344, 2014
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2LZ3
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2LZ4
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7D88
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7D89
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4O8I
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![BU of 4o8i by Molmil](/molmil-images/mine/4o8i) | 1.45A resolution structure of PEG 400 Bound Cyclophilin D | Descriptor: | PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Lovell, S, Valasani, K.R, Battaile, K.P, Wang, C, Yan, S.S. | Deposit date: | 2013-12-27 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | High-resolution crystal structures of two crystal forms of human cyclophilin D in complex with PEG 400 molecules. Acta Crystallogr F Struct Biol Commun, 70, 2014
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4N4X
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![BU of 4n4x by Molmil](/molmil-images/mine/4n4x) | Crystal Structure of the MBP fused human SPLUNC1 (native form) | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Maltose-binding periplasmic/Palate lung and nasal epithelium clone fusion protein | Authors: | Ning, F, Wang, C, Niu, L, Chu, H.W, Zhang, G. | Deposit date: | 2013-10-08 | Release date: | 2014-09-17 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Lipid ligands of human SPLUNC1 To be Published
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