2RHQ
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![BU of 2rhq by Molmil](/molmil-images/mine/2rhq) | PheRS from Staphylococcus haemolyticus- rational protein engineering and inhibitor studies | Descriptor: | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain, ... | Authors: | Evdokimov, A.G, Mekel, M. | Deposit date: | 2007-10-09 | Release date: | 2007-11-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational protein engineering in action: the first crystal structure of a phenylalanine tRNA synthetase from Staphylococcus haemolyticus. J.Struct.Biol., 162, 2008
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5BMO
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![BU of 5bmo by Molmil](/molmil-images/mine/5bmo) | LnmX protein, a putative GlcNAc-PI de-N-acetylase from Streptomyces atroolivaceus | Descriptor: | ACETATE ION, POTASSIUM ION, Putative uncharacterized protein LnmX | Authors: | Osipiuk, J, Hatzos-Skintges, C, Cuff, M, Endres, M, Babnigg, G, Lohman, J, Ma, M, Rudolf, J, Chang, C.-Y, Shen, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-05-22 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | LnmX protein, a putative GlcNAc-PI de-N-acetylase from Streptomyces atroolivaceus. to be published
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351D
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2MLZ
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![BU of 2mlz by Molmil](/molmil-images/mine/2mlz) | NMR structure of E. coli Trigger Factor in complex with unfolded PhoA365-471 | Descriptor: | Alkaline phosphatase, Trigger factor | Authors: | Saio, T, Guan, X, Rossi, P, Economou, A, Kalodimos, C.G. | Deposit date: | 2014-03-05 | Release date: | 2014-05-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for protein antiaggregation activity of the trigger factor chaperone. Science, 344, 2014
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4DDS
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![BU of 4dds by Molmil](/molmil-images/mine/4dds) | CTX-M-9 class A beta-lactamase complexed with compound 11 | Descriptor: | 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE | Authors: | Nichols, D.A, Chen, Y. | Deposit date: | 2012-01-19 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
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2LZM
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5BR4
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![BU of 5br4 by Molmil](/molmil-images/mine/5br4) | E. coli lactaldehyde reductase (FucO) M185C mutant | Descriptor: | CHLORIDE ION, GLYCEROL, Lactaldehyde reductase, ... | Authors: | Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H. | Deposit date: | 2015-05-29 | Release date: | 2015-12-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | Mutations in adenine-binding pockets enhance catalytic properties of NAD(P)H-dependent enzymes. Protein Eng.Des.Sel., 29, 2016
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7AK5
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![BU of 7ak5 by Molmil](/molmil-images/mine/7ak5) | Cryo-EM structure of respiratory complex I in the deactive state from Mus musculus at 3.2 A | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Yin, Z, Bridges, H.R, Grba, D, Hirst, J. | Deposit date: | 2020-09-29 | Release date: | 2021-02-03 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Structural basis for a complex I mutation that blocks pathological ROS production. Nat Commun, 12, 2021
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5BRT
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![BU of 5brt by Molmil](/molmil-images/mine/5brt) | Crystal Structure of 2-hydroxybiphenyl 3-monooxygenase from Pseudomonas azelaica with 2-hydroxybiphenyl in the active site | Descriptor: | 2-HYDROXYBIPHENYL, 2-hydroxybiphenyl-3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kanteev, M, Bregman-Cohen, A, Deri, B, Adir, N, Fishman, A. | Deposit date: | 2015-06-01 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A crystal structure of 2-hydroxybiphenyl 3-monooxygenase with bound substrate provides insights into the enzymatic mechanism. Biochim.Biophys.Acta, 1854, 2015
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5Y5E
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![BU of 5y5e by Molmil](/molmil-images/mine/5y5e) | Crystal structure of phospholipase A2 with inhibitor | Descriptor: | 2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-08-08 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2group IIE Sci Rep, 7, 2017
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6SEC
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![BU of 6sec by Molmil](/molmil-images/mine/6sec) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cBon complex with ONPG | Descriptor: | 2-nitrophenyl beta-D-galactopyranoside, ACETATE ION, Beta-galactosidase, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2019-07-29 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.768 Å) | Cite: | Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 20, 2019
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5ANW
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![BU of 5anw by Molmil](/molmil-images/mine/5anw) | MTH1 in complex with compound 24 | Descriptor: | 2-[4-(2-AMINOQUINAZOLIN-4-YL)PHENYL]-N,N-DIMETHYL-ACETAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2015-09-08 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
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2MFX
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![BU of 2mfx by Molmil](/molmil-images/mine/2mfx) | Non-reducible analogues of alpha-conotoxin Vc1.1: [2,8]-cis dicarba Vc1.1 | Descriptor: | Alpha-conotoxin Vc1A | Authors: | Robinson, S.D, Macraild, C.A, Van Lierop, B.J, Robinson, A.J, Norton, R.S. | Deposit date: | 2013-10-24 | Release date: | 2013-12-18 | Method: | SOLUTION NMR | Cite: | Dicarba alpha-conotoxin Vc1.1 analogues with differential selectivity for nicotinic acetylcholine and GABAB receptors. Acs Chem.Biol., 8, 2013
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2BVP
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![BU of 2bvp by Molmil](/molmil-images/mine/2bvp) | Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression | Descriptor: | BETA-2-MICROGLOBULIN, HIV-P24, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Stewart-Jones, G.B, Gillespie, G, Overton, I.M, Kaul, R, Roche, P, Mcmichael, A.J, Rowland-Jones, S, Jones, E.Y. | Deposit date: | 2005-07-01 | Release date: | 2005-09-07 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structures of three HIV-1 HLA-B*5703-peptide complexes and identification of related HLAs potentially associated with long-term nonprogression. J Immunol., 175, 2005
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2IEQ
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6SBU
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![BU of 6sbu by Molmil](/molmil-images/mine/6sbu) | X-ray Structure of Human LDHA with an Allosteric Inhibitor (Compound 3) | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid, L-lactate dehydrogenase A chain | Authors: | Friberg, A, Puetter, V, Nguyen, D, Rehwinkel, H. | Deposit date: | 2019-07-22 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structural Evidence for Isoform-Selective Allosteric Inhibition of Lactate Dehydrogenase A. Acs Omega, 5, 2020
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6SE8
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![BU of 6se8 by Molmil](/molmil-images/mine/6se8) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Beta-galactosidase, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2019-07-29 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.835 Å) | Cite: | Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 20, 2019
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5APF
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![BU of 5apf by Molmil](/molmil-images/mine/5apf) | Hen Egg White Lysozyme reference dataset even frames | Descriptor: | LYSOZYME C, SODIUM ION | Authors: | Lundholm, I, Rodilla, H, Wahlgren, W.Y, Duelli, A, Bourenkov, G, Vukusic, J, Friedman, R, Stake, J, Schneider, T, Katona, G. | Deposit date: | 2015-09-15 | Release date: | 2016-01-13 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Terahertz Radiation Induces Non-Thermal Structural Changes Associated with Frohlich Condensation in a Protein Crystal Struct.Dyn., 2, 2015
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4DBA
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![BU of 4dba by Molmil](/molmil-images/mine/4dba) | Designed Armadillo repeat protein (YIIM3AII) | Descriptor: | Designed Armadillo repeat protein, YIIM3AII, GLYCEROL | Authors: | Madhurantakam, C, Varadamsetty, G, Grutter, M.G, Pluckthun, A, Mittl, P.R.E. | Deposit date: | 2012-01-13 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based optimization of designed Armadillo-repeat proteins. Protein Sci., 21, 2012
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6SEA
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![BU of 6sea by Molmil](/molmil-images/mine/6sea) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with lactose bound in deep mode | Descriptor: | ACETATE ION, Beta-galactosidase, SODIUM ION, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2019-07-29 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.869 Å) | Cite: | Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 20, 2019
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2M2D
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![BU of 2m2d by Molmil](/molmil-images/mine/2m2d) | Human programmed cell death 1 receptor | Descriptor: | Programmed cell death protein 1 | Authors: | Veverka, V, Cheng, X, Waters, L.C, Muskett, F.W, Morgan, S, Lesley, A, Griffiths, M, Stubberfield, C, Griffin, R, Henry, A.J, Robinson, M.K, Jansson, A, Ladbury, J.E, Ikemizu, S, Davis, S.J, Carr, M.D. | Deposit date: | 2012-12-18 | Release date: | 2013-02-27 | Last modified: | 2013-05-15 | Method: | SOLUTION NMR | Cite: | Structure and interactions of the human programmed cell death 1 receptor. J.Biol.Chem., 288, 2013
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2LYZ
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6SET
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![BU of 6set by Molmil](/molmil-images/mine/6set) | X-ray structure of the gold/lysozyme adduct formed upon 3 days exposure of protein crystals to compound 1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Ferraro, G, Giorgio, A, Merlino, A. | Deposit date: | 2019-07-30 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme. Dalton Trans, 48, 2019
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4DE0
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![BU of 4de0 by Molmil](/molmil-images/mine/4de0) | CTX-M-9 class A beta-lactamase complexed with compound 16 | Descriptor: | Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide | Authors: | Nichols, D.N, Chen, Y. | Deposit date: | 2012-01-19 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
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6H20
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![BU of 6h20 by Molmil](/molmil-images/mine/6h20) | GlnH bound to Asn, Mycobacterium tuberculosis | Descriptor: | ASPARAGINE, Probable glutamine-binding lipoprotein GlnH (GLNBP) | Authors: | O'Hare, H.M, Wallis, R, Lin, L.Y, Newland-Smith, Z. | Deposit date: | 2018-07-12 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Aspartate-Specific Solute-Binding Protein Regulates Protein Kinase G Activity To Control Glutamate Metabolism in Mycobacteria. MBio, 9, 2018
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