5G36
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![BU of 5g36 by Molmil](/molmil-images/mine/5g36) | Yellow form of Halorhodopsin from Halobacterium salinarum in a new rhombohedral crystal form | Descriptor: | CHLORIDE ION, HALORHODOPSIN, RETINAL, ... | Authors: | Schreiner, M, Schlesinger, R, Heberle, J, Niemann, H.H. | Deposit date: | 2016-04-20 | Release date: | 2016-08-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Halobacterium Salinarum Halorhodopsin with Partially Depopulated Primary Chloride Binding Site Acta Crystallogr.,Sect.F, 72, 2016
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1CKQ
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1CL8
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![BU of 1cl8 by Molmil](/molmil-images/mine/1cl8) | |
5KCH
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![BU of 5kch by Molmil](/molmil-images/mine/5kch) | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy into weak electron density | Descriptor: | 4-methoxy-N-[(pyridin-2-yl)methyl]aniline, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, ... | Authors: | Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-06 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy To Be Published
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5KGW
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![BU of 5kgw by Molmil](/molmil-images/mine/5kgw) | HIV1 catalytic core domain in complex with inhibitor: (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | Descriptor: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION | Authors: | Feng, L, Kobe, M, Kvaratskhelia, M. | Deposit date: | 2016-06-13 | Release date: | 2016-10-19 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Indole-based allosteric inhibitors of HIV-1 integrase. Bioorg.Med.Chem.Lett., 26, 2016
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5G4F
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![BU of 5g4f by Molmil](/molmil-images/mine/5g4f) | Structure of the ADP-bound VAT complex | Descriptor: | VCP-LIKE ATPASE | Authors: | Huang, R, Ripstein, Z.A, Augustyniak, R, Lazniewski, M, Ginalski, K, Kay, L.E, Rubinstein, J.L. | Deposit date: | 2016-05-12 | Release date: | 2016-07-27 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Unfolding the Mechanism of the Aaa+ Unfoldase Vat by a Combined Cryo-Em, Solution NMR Study. Proc.Natl.Acad.Sci.USA, 113, 2016
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5UK6
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![BU of 5uk6 by Molmil](/molmil-images/mine/5uk6) | Structure of Anabaena Sensory Rhodopsin Determined by Solid State NMR Spectroscopy and DEER | Descriptor: | Bacteriorhodopsin | Authors: | Milikisiyants, S, Wang, S, Munro, R.A, Donohue, M, Ward, M.E, Brown, L.S, Smirnova, T.I, Ladizhansky, V, Smirnov, A.I. | Deposit date: | 2017-01-20 | Release date: | 2017-05-31 | Last modified: | 2020-01-08 | Method: | SOLID-STATE NMR | Cite: | Oligomeric Structure of Anabaena Sensory Rhodopsin in a Lipid Bilayer Environment by Combining Solid-State NMR and Long-range DEER Constraints. J. Mol. Biol., 429, 2017
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5UQS
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5GAH
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![BU of 5gah by Molmil](/molmil-images/mine/5gah) | RNC in complex with SRP with detached NG domain | Descriptor: | 1A9L SS, 23S rRNA, 50S ribosomal protein L10, ... | Authors: | Jomaa, A, Boehringer, D, Leibundgut, M, Ban, N. | Deposit date: | 2015-11-26 | Release date: | 2016-01-27 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structures of the E. coli translating ribosome with SRP and its receptor and with the translocon. Nat Commun, 7, 2016
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5UMM
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4N8E
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![BU of 4n8e by Molmil](/molmil-images/mine/4n8e) | DPP4 complexed with compound 12a | Descriptor: | 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | Authors: | Ostermann, N, Zink, F, Kroemer, M. | Deposit date: | 2013-10-17 | Release date: | 2014-02-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV. Bioorg.Med.Chem.Lett., 24, 2014
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1CE4
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5KHY
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![BU of 5khy by Molmil](/molmil-images/mine/5khy) | Crystal structure of oxime-linked K6 diubiquitin | Descriptor: | ETHANOLAMINE, Polyubiquitin-B, ZINC ION | Authors: | Stanley, M, Virdee, S. | Deposit date: | 2016-06-16 | Release date: | 2016-09-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.501 Å) | Cite: | Genetically Directed Production of Recombinant, Isosteric and Nonhydrolysable Ubiquitin Conjugates. Chembiochem, 17, 2016
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5KGZ
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![BU of 5kgz by Molmil](/molmil-images/mine/5kgz) | Phenol-soluble modulin Beta2 | Descriptor: | Modulin Beta2 | Authors: | Towle, K.M, Lohans, C.T, Acedo, J.Z, Van Belkum, M.J, Miskolzie, M, Vederas, J.C. | Deposit date: | 2016-06-13 | Release date: | 2016-08-31 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structures of Phenol-Soluble Modulins alpha 1, alpha 3, and beta 2, Virulence Factors from Staphylococcus aureus. Biochemistry, 55, 2016
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5H8Y
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![BU of 5h8y by Molmil](/molmil-images/mine/5h8y) | Crystal structure of the complex between maize sulfite reductase and ferredoxin in the form-2 crystal | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, ... | Authors: | Kurisu, G, Nakayama, M, Hase, T. | Deposit date: | 2015-12-25 | Release date: | 2016-04-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and mutational studies of an electron transfer complex of maize sulfite reductase and ferredoxin. J.Biochem., 160, 2016
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5KH6
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![BU of 5kh6 by Molmil](/molmil-images/mine/5kh6) | SETDB1 in complex with a fragment candidate | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Walker, J.R, Harding, R.J, Mader, P, Dobrovetsky, E, Dong, A, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Brown, P.J, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-14 | Release date: | 2016-09-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | SETDB1 in complex with a fragment candidate To be published
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8DLA
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![BU of 8dla by Molmil](/molmil-images/mine/8dla) | ClpP2 from Chlamydia trachomatis bound by MAS1-12 | Descriptor: | 1-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-2-methyl-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propan-1-one, ATP-dependent Clp protease proteolytic subunit 2, GLYCEROL, ... | Authors: | Azadmanesh, J, Struble, L.R, Seleem, M.A, Ouellette, S, Conda-Sheridan, M, Borgstahl, G.E.O. | Deposit date: | 2022-07-07 | Release date: | 2023-08-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | The structure of caseinolytic protease subunit ClpP2 reveals a functional model of the caseinolytic protease system from Chlamydia trachomatis. J.Biol.Chem., 299, 2023
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1CJY
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![BU of 1cjy by Molmil](/molmil-images/mine/1cjy) | HUMAN CYTOSOLIC PHOSPHOLIPASE A2 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, PROTEIN (CYTOSOLIC PHOSPHOLIPASE A2) | Authors: | Dessen, A, Tang, J, Schmidt, H, Stahl, M, Clark, J.D, Seehra, J, Somers, W.S. | Deposit date: | 1999-04-20 | Release date: | 2000-04-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human cytosolic phospholipase A2 reveals a novel topology and catalytic mechanism. Cell(Cambridge,Mass.), 97, 1999
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5UTO
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![BU of 5uto by Molmil](/molmil-images/mine/5uto) | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstrom resolution | Descriptor: | EDD domain protein, DegV family, PALMITIC ACID | Authors: | Cuypers, M.G, Ericson, M, Subramanian, C, Broussard, T.C, Miller, D.J, White, S.W, Rock, C.O. | Deposit date: | 2017-02-15 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution J.Biol.Chem., 2018
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5OV7
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![BU of 5ov7 by Molmil](/molmil-images/mine/5ov7) | tubulin - rigosertib complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Menchon, G, Prota, A.E, Steinmetz, M, Jost, M. | Deposit date: | 2017-08-28 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Combined CRISPRi/a-Based Chemical Genetic Screens Reveal that Rigosertib Is a Microtubule-Destabilizing Agent. Mol. Cell, 68, 2017
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8DWD
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![BU of 8dwd by Molmil](/molmil-images/mine/8dwd) | Adenine glycosylase MutY variant E43S in complex with DNA containing d(8-oxo-G) paired with an AP site generated by the enzyme acting on purine | Descriptor: | ACETATE ION, Adenine DNA glycosylase, CALCIUM ION, ... | Authors: | Russelburg, L.P, Demir, M, David, S.S, Horvath, M.P. | Deposit date: | 2022-08-01 | Release date: | 2023-08-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural Basis for Base Engagement and Stereochemistry Revealed by Alteration of Catalytic Residue Glu43 in DNA Repair Glycosylase MutY To Be Published
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8DWF
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![BU of 8dwf by Molmil](/molmil-images/mine/8dwf) | Glycosylase MutY variant E43S in complex with DNA containing d(8-oxo-G) paired with substrate adenine | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Adenine DNA glycosylase, ... | Authors: | Russelburg, L.P, Demir, M, David, S.S, Horvath, M.P. | Deposit date: | 2022-08-01 | Release date: | 2023-08-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis for Base Engagement and Stereochemistry Revealed by Alteration of Catalytic Residue Glu43 in DNA Repair Glycosylase MutY To Be Published
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5OVK
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![BU of 5ovk by Molmil](/molmil-images/mine/5ovk) | Crystal structure MabA bound to NADPH from M. smegmatis | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase FabG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Kussau, T, Van Wyk, N, Viljoen, A, Olieric, V, Flipo, M, Kremer, L, Blaise, M. | Deposit date: | 2017-08-29 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis beta-ketoacyl-acyl carrier protein reductase MabA. Acta Crystallogr D Struct Biol, 74, 2018
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5UQR
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8DWE
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![BU of 8dwe by Molmil](/molmil-images/mine/8dwe) | Adenine glycosylase MutY variant E43Q in complex with DNA containing d(8-oxo-G) paired with substrate purine | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Adenine DNA glycosylase, ... | Authors: | Russelburg, L.P, Demir, M, David, S.S, Horvath, M.P. | Deposit date: | 2022-08-01 | Release date: | 2023-08-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for Base Engagement and Stereochemistry Revealed by Alteration of Catalytic Residue Glu43 in DNA Repair Glycosylase MutY To Be Published
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