3EQP
 
 | | Crystal Structure of Ack1 with compound T95 | | Descriptor: | Activated CDC42 kinase 1, CHLORIDE ION, N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide | | Authors: | Liu, J, Wang, Z, Walker, N.P.C. | | Deposit date: | 2008-10-01 | | Release date: | 2008-12-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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6LBM
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6LBI
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6IJI
 | | Crystal structure of PDE10 in complex with inhibitor 2b | | Descriptor: | 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B. | | Deposit date: | 2018-10-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
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6ENH
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6M67
 | | The Cryo-EM Structure of Human Pannexin 1 with D376E/D379E Mutation | | Descriptor: | Pannexin-1 | | Authors: | Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S. | | Deposit date: | 2020-03-13 | | Release date: | 2020-04-15 | | Last modified: | 2020-05-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
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6IJH
 | | Crystal structure of PDE10 in complex with inhibitor AF-399/14387019 | | Descriptor: | 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B. | | Deposit date: | 2018-10-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.
J. Med. Chem., 62, 2019
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6M68
 | | The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX | | Descriptor: | Pannexin-1 | | Authors: | Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S. | | Deposit date: | 2020-03-13 | | Release date: | 2020-04-15 | | Last modified: | 2020-05-13 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
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6M66
 | | The Cryo-EM Structure of Human Pannexin 1 | | Descriptor: | Pannexin-1 | | Authors: | Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S. | | Deposit date: | 2020-03-13 | | Release date: | 2020-04-15 | | Last modified: | 2020-05-13 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
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5YA5
 | | CRYSTAL STRUCTURE OF c-MET IN COMPLEX WITH NOVEL INHIBITOR | | Descriptor: | 2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole, Hepatocyte growth factor receptor | | Authors: | Liu, Q, Xu, Y. | | Deposit date: | 2017-08-30 | | Release date: | 2018-07-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Discovery, optimization and biological evaluation for novel c-Met kinase inhibitors
Eur J Med Chem, 143, 2018
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6ENG
 | | Crystal structure of the 43K ATPase domain of Escherichia coli gyrase B in complex with an aminocoumarin | | Descriptor: | CHLORIDE ION, Coumermycin A1, DNA gyrase subunit B, ... | | Authors: | Vanden Broeck, A, McEwen, A.G, Lamour, V. | | Deposit date: | 2017-10-04 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for DNA Gyrase Interaction with Coumermycin A1.
J.Med.Chem., 62, 2019
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4DKD
 | | Crystal Structure of Human Interleukin-34 Bound to Human CSF-1R | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-34, ... | | Authors: | Ma, X, Bazan, J.F, Starovasnik, M.A. | | Deposit date: | 2012-02-03 | | Release date: | 2012-04-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Basis for the Dual Recognition of Helical Cytokines IL-34 and CSF-1 by CSF-1R.
Structure, 20, 2012
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3DPK
 | | cFMS tyrosine kinase in complex with a pyridopyrimidinone inhibitor | | Descriptor: | 8-cyclohexyl-N-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, Macrophage colony-stimulating factor 1 receptor, Fibroblast growth factor receptor 1, ... | | Authors: | Schubert, C. | | Deposit date: | 2008-07-08 | | Release date: | 2009-02-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pyrido[2,3-d]pyrimidin-5-ones: a novel class of antiinflammatory macrophage colony-stimulating factor-1 receptor inhibitors
J.Med.Chem., 52, 2009
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6J4C
 | | Crystal structure of MarH, an epimerase for biosynthesis of Maremycins in Streptomyces, under 10 mM ZnSO4 | | Descriptor: | ACETIC ACID, Cupin superfamily protein, GLYCEROL, ... | | Authors: | Hou, Y, Liu, B, Hu, K, Zhang, R. | | Deposit date: | 2019-01-08 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural basis of the mechanism of beta-methyl epimerization by enzyme MarH.
Org.Biomol.Chem., 17, 2019
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7KDT
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6MV5
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4R0M
 | | Structure of McyG A-PCP complexed with phenylalanyl-adenylate | | Descriptor: | ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE], McyG protein | | Authors: | Tan, X.F, Dai, Y.N, Zhou, K, Jiang, Y.L, Ren, Y.M, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2014-08-01 | | Release date: | 2015-04-15 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of the adenylation-peptidyl carrier protein didomain of the Microcystis aeruginosa microcystin synthetase McyG.
Acta Crystallogr.,Sect.D, 71, 2015
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8WIU
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | Descriptor: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4 | | Authors: | Cao, D, Zhiyan, D, Xiong, B. | | Deposit date: | 2023-09-25 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
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5Y2F
 | | Human SIRT6 in complex with allosteric activator MDL-801 | | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, 9-mer peptide QTARKSTGG, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zhang, J, Huang, Z, Song, K. | | Deposit date: | 2017-07-25 | | Release date: | 2018-11-07 | | Last modified: | 2018-11-28 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Identification of a cellularly active SIRT6 allosteric activator.
Nat. Chem. Biol., 14, 2018
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6J4B
 | | Crystal structure of MarH, an epimerase for biosynthesis of Maremycins in Streptomyces, under 400 mM Zinc acetate | | Descriptor: | ACETIC ACID, Cupin superfamily protein, GLYCEROL, ... | | Authors: | Hou, Y, Liu, B, Hu, K, Zhang, R. | | Deposit date: | 2019-01-08 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural basis of the mechanism of beta-methyl epimerization by enzyme MarH.
Org.Biomol.Chem., 17, 2019
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6JC3
 | | The Cryo-EM structure of nucleoprotein-RNA complex of Newcastle disease virus | | Descriptor: | Nucleocapsid, polyU | | Authors: | Song, X, Shan, H, Zhu, Y, Ding, W, Ouyang, S, Shen, Q.T, Liu, Z.J. | | Deposit date: | 2019-01-28 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Self-capping of nucleoprotein filaments protects the Newcastle disease virus genome.
Elife, 8, 2019
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3FXH
 | | Crystal structure from the mobile metagenome of Halifax Harbour Sewage Outfall: Integron Cassette Protein HFX_CASS2 | | Descriptor: | Integron gene cassette protein HFX_CASS2 | | Authors: | Sureshan, V, Deshpande, C, Harrop, S.J, Kudritska, M, Koenig, J.E, Evdokimova, E, Chang, C, Edwards, A.M, Savchenko, A, Joachimiak, A, Doolittle, W.F, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-01-20 | | Release date: | 2009-02-17 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.837 Å) | | Cite: | Integron gene cassettes: a repository of novel protein folds with distinct interaction sites.
Plos One, 8, 2013
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5XXF
 | | Crystal structure of Poz1, Tpz1 and Rap1 | | Descriptor: | Protection of telomeres protein poz1, Protection of telomeres protein tpz1, Rap1, ... | | Authors: | Xue, J, Chen, H, Wu, J, Lei, M. | | Deposit date: | 2017-07-03 | | Release date: | 2017-12-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the fission yeast S. pombe telomeric Tpz1-Poz1-Rap1 complex.
Cell Res., 27, 2017
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5XWZ
 | | Crystal structure of a lactonase from Cladophialophora bantiana | | Descriptor: | GLYCEROL, MALONATE ION, SODIUM ION, ... | | Authors: | Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-06-30 | | Release date: | 2018-05-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Characterization and crystal structure of a novel zearalenone hydrolase from Cladophialophora bantiana
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5XXE
 | | Crystal structure of Poz1 and Tpz1 | | Descriptor: | Protection of telomeres protein poz1, Protection of telomeres protein tpz1, SULFATE ION, ... | | Authors: | Xue, J, Chen, H, Wu, J, Lei, M. | | Deposit date: | 2017-07-03 | | Release date: | 2017-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the fission yeast S. pombe telomeric Tpz1-Poz1-Rap1 complex.
Cell Res., 27, 2017
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