3HLE
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![BU of 3hle by Molmil](/molmil-images/mine/3hle) | Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with monacolin J acid | Descriptor: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3HLF
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![BU of 3hlf by Molmil](/molmil-images/mine/3hlf) | Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with simvastatin | Descriptor: | Simvastatin acid, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3HL9
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![BU of 3hl9 by Molmil](/molmil-images/mine/3hl9) | Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded | Descriptor: | Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3HLB
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![BU of 3hlb by Molmil](/molmil-images/mine/3hlb) | Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded, selenomethionyl derivative | Descriptor: | SULFATE ION, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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6M1J
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![BU of 6m1j by Molmil](/molmil-images/mine/6m1j) | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x | Descriptor: | 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ... | Authors: | Xu, Z.H, Zhou, Z. | Deposit date: | 2020-02-26 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV. J.Med.Chem., 63, 2020
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6M1S
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![BU of 6m1s by Molmil](/molmil-images/mine/6m1s) | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o | Descriptor: | 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ... | Authors: | Xu, Z.H, Zhou, Z. | Deposit date: | 2020-02-26 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.254 Å) | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV. J.Med.Chem., 63, 2020
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5J8R
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![BU of 5j8r by Molmil](/molmil-images/mine/5j8r) | Crystal Structure of the Catalytic Domain of Human Protein Tyrosine Phosphatase non-receptor Type 12 - K61R mutant | Descriptor: | Tyrosine-protein phosphatase non-receptor type 12 | Authors: | Li, H, Yang, F, Xu, Y.F, Wang, W.J, Xiao, P, Yu, X, Sun, J.P. | Deposit date: | 2016-04-08 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.043 Å) | Cite: | Crystal structure and substrate specificity of PTPN12. Cell Rep, 15, 2016
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3N9Q
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![BU of 3n9q by Molmil](/molmil-images/mine/3n9q) | ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K27me2 peptide and NOG | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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3N9N
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![BU of 3n9n by Molmil](/molmil-images/mine/3n9n) | ceKDM7A from C.elegans, complex with H3K4me3K9me2 peptide and NOG | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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3N9L
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![BU of 3n9l by Molmil](/molmil-images/mine/3n9l) | ceKDM7A from C.elegans, complex with H3K4me3 peptide and NOG | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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3N9P
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![BU of 3n9p by Molmil](/molmil-images/mine/3n9p) | ceKDM7A from C.elegans, complex with H3K4me3K27me2 peptide and NOG | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.388 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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3N9O
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![BU of 3n9o by Molmil](/molmil-images/mine/3n9o) | ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K9me2 peptide and NOG | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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7JQQ
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![BU of 7jqq by Molmil](/molmil-images/mine/7jqq) | The bacteriophage Phi-29 viral genome packaging motor assembly | Descriptor: | DNA (60-MER), DNA packaging protein, MAGNESIUM ION, ... | Authors: | White, M.A, Woodson, M, Morais, M.C. | Deposit date: | 2020-08-11 | Release date: | 2021-05-19 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | A viral genome packaging motor transitions between cyclic and helical symmetry to translocate dsDNA. Sci Adv, 7, 2021
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5ZIO
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![BU of 5zio by Molmil](/molmil-images/mine/5zio) | Crystal structure of NDM-1 in complex with L-captopril | Descriptor: | L-CAPTOPRIL, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Zhang, H, Hao, Q. | Deposit date: | 2018-03-16 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors Bioorg.Med.Chem., 29, 2020
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5ZJ2
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![BU of 5zj2 by Molmil](/molmil-images/mine/5zj2) | Crystal structure of NDM-1 in complex with D-captopril | Descriptor: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Zhang, H, Hao, Q. | Deposit date: | 2018-03-18 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors Bioorg.Med.Chem., 29, 2020
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5KHU
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![BU of 5khu by Molmil](/molmil-images/mine/5khu) | Model of human Anaphase-promoting complex/Cyclosome (APC15 deletion mutant), in complex with the Mitotic checkpoint complex (APC/C-CDC20-MCC) based on cryo EM data at 4.8 Angstrom resolution | Descriptor: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | Authors: | Yamaguchi, M, VanderLinden, R, Dube, P, Stark, H, Schulman, B. | Deposit date: | 2016-06-15 | Release date: | 2016-09-07 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Cryo-EM of Mitotic Checkpoint Complex-Bound APC/C Reveals Reciprocal and Conformational Regulation of Ubiquitin Ligation. Mol.Cell, 63, 2016
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3OSV
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![BU of 3osv by Molmil](/molmil-images/mine/3osv) | The crytsal structure of FLGD from P. Aeruginosa | Descriptor: | Flagellar basal-body rod modification protein FlgD, GLYCEROL | Authors: | Wang, D, Luo, M, Niu, S. | Deposit date: | 2010-09-10 | Release date: | 2011-05-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of a novel dimer form of FlgD from P. aeruginosa PAO1 Proteins, 79, 2011
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5KHR
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![BU of 5khr by Molmil](/molmil-images/mine/5khr) | Model of human Anaphase-promoting complex/Cyclosome complex (APC15 deletion mutant) in complex with the E2 UBE2C/UBCH10 poised for ubiquitin ligation to substrate (APC/C-CDC20-substrate-UBE2C) | Descriptor: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | Authors: | VanderLinden, R, Yamaguchi, M, Dube, P, Haselbach, D, Stark, H, Schulman, B.A. | Deposit date: | 2016-06-15 | Release date: | 2016-08-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Cryo-EM of Mitotic Checkpoint Complex-Bound APC/C Reveals Reciprocal and Conformational Regulation of Ubiquitin Ligation. Mol.Cell, 63, 2016
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3N9M
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![BU of 3n9m by Molmil](/molmil-images/mine/3n9m) | ceKDM7A from C.elegans, alone | Descriptor: | FE (II) ION, Putative uncharacterized protein, ZINC ION | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | Deposit date: | 2010-05-31 | Release date: | 2010-06-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans Cell Res., 20, 2010
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5KJ0
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![BU of 5kj0 by Molmil](/molmil-images/mine/5kj0) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH DB-1-264-2 | Descriptor: | 1,2-ETHANEDIOL, 4-[[(7~{R})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{H}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | Authors: | Zhu, J.-Y, Ember, S.W, Schonbrunn, E. | Deposit date: | 2016-06-17 | Release date: | 2017-08-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Assessment of Bromodomain Target Engagement by a Series of BI2536 Analogues with Miniaturized BET-BRET. ChemMedChem, 11, 2016
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5GNE
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![BU of 5gne by Molmil](/molmil-images/mine/5gne) | Crystal structure of LapB from Legionella pneumophila | Descriptor: | Leucine aminopeptidase, SULFATE ION, ZINC ION | Authors: | Zhang, N, Ge, H. | Deposit date: | 2016-07-20 | Release date: | 2017-08-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure and Biochemical Characterization of an Aminopeptidase LapB from Legionella pneumophila. J. Agric. Food Chem., 65, 2017
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5U5S
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![BU of 5u5s by Molmil](/molmil-images/mine/5u5s) | |
3EWV
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![BU of 3ewv by Molmil](/molmil-images/mine/3ewv) | Crystal Structure of calmodulin complexed with a peptide | Descriptor: | CALCIUM ION, Calmodulin, Tumor necrosis factor receptor superfamily member 16 | Authors: | Jiang, T, Cao, P, Gong, Y, Yu, H.J, Gui, W.J, Zhang, W.T. | Deposit date: | 2008-10-16 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insights into the mechanism of calmodulin binding to death receptors. Acta Crystallogr.,Sect.D, 70, 2014
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6A0Q
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![BU of 6a0q by Molmil](/molmil-images/mine/6a0q) | The crystal structure of Lpg2622_E64 complex | Descriptor: | Lpg2622, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE | Authors: | Gong, X, Ge, H. | Deposit date: | 2018-06-06 | Release date: | 2018-09-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural characterization of the hypothetical protein Lpg2622, a new member of the C1 family peptidases from Legionella pneumophila FEBS Lett., 592, 2018
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3EWT
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![BU of 3ewt by Molmil](/molmil-images/mine/3ewt) | Crystal Structure of calmodulin complexed with a peptide | Descriptor: | CALCIUM ION, Calmodulin, Tumor necrosis factor receptor superfamily member 6 | Authors: | Jiang, T, Cao, P, Gong, Y, Yu, H.J, Gui, W.J, Zhang, W.T. | Deposit date: | 2008-10-16 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into the mechanism of calmodulin binding to death receptors. Acta Crystallogr.,Sect.D, 70, 2014
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