4ZXL
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![BU of 4zxl by Molmil](/molmil-images/mine/4zxl) | CpOGA D298N in complex with Drosophila HCF -derived Thr-O-GlcNAc peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, NAG-PRO-SER-THR-ALA-Thr-O-GlcNAc containing peptide from drosophila HCF, ... | Authors: | Selvan, N, van Aalten, D.M.F. | Deposit date: | 2015-05-20 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A mutant O-GlcNAcase as a probe to reveal global dynamics of protein O-GlcNAcylation during Drosophila embryonic development. Biochem.J., 470, 2015
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5AC2
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![BU of 5ac2 by Molmil](/molmil-images/mine/5ac2) | human aldehyde dehydrogenase 1A1 with duocarmycin analog | Descriptor: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, RETINAL DEHYDROGENASE 1, YTTERBIUM (III) ION, ... | Authors: | Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A. | Deposit date: | 2015-08-11 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues. Angew.Chem.Int.Ed.Engl., 54, 2015
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1DZR
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![BU of 1dzr by Molmil](/molmil-images/mine/1dzr) | RmlC from Salmonella typhimurium | Descriptor: | DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE, GLYCEROL, SULFATE ION | Authors: | Naismith, J.H, Giraud, M.F. | Deposit date: | 2000-03-07 | Release date: | 2000-04-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Rmlc, the Third Enzyme of Dtdp-L-Rhamnose Pathway, is a New Class of Epimerase. Nat.Struct.Biol., 7, 2000
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6W3X
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![BU of 6w3x by Molmil](/molmil-images/mine/6w3x) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-valine | Descriptor: | GLYCEROL, Methyl-accepting chemotaxis protein, SULFATE ION, ... | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | Deposit date: | 2020-03-09 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
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1E6N
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![BU of 1e6n by Molmil](/molmil-images/mine/1e6n) | Chitinase B from Serratia marcescens inactive mutant E144Q in complex with N-acetylglucosamine-pentamer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE B, GLYCEROL, ... | Authors: | Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2000-08-21 | Release date: | 2001-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase Proc.Natl.Acad.Sci.USA, 98, 2001
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4ZST
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![BU of 4zst by Molmil](/molmil-images/mine/4zst) | |
6W3R
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![BU of 6w3r by Molmil](/molmil-images/mine/6w3r) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with 3-methylisoleucine | Descriptor: | 3-methyl-L-alloisoleucine, CHLORIDE ION, Methyl-accepting chemotaxis protein, ... | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | Deposit date: | 2020-03-09 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
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5A0B
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![BU of 5a0b by Molmil](/molmil-images/mine/5a0b) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | Deposit date: | 2015-04-17 | Release date: | 2015-08-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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1D7E
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![BU of 1d7e by Molmil](/molmil-images/mine/1d7e) | CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | Authors: | Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | Deposit date: | 1999-10-17 | Release date: | 2000-03-31 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Conformational substates in different crystal forms of the photoactive yellow protein--correlation with theoretical and experimental flexibility. Protein Sci., 9, 2000
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5AJ9
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![BU of 5aj9 by Molmil](/molmil-images/mine/5aj9) | G7 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARYLSULFATASE, CALCIUM ION, ... | Authors: | Miton, C.M, Fischer, G, Jonas, S, Mohammed, M.F, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2015-02-20 | Release date: | 2016-03-16 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6WTD
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![BU of 6wtd by Molmil](/molmil-images/mine/6wtd) | Monomer yeast ATP synthase Fo reconstituted in nanodisc with inhibitor of Bedaquiline bound | Descriptor: | ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ... | Authors: | Mueller, D.M, Srivastava, A.P, Symersky, J, Luo, M, Liao, M.F. | Deposit date: | 2020-05-02 | Release date: | 2020-08-26 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Bedaquiline inhibits the yeast and human mitochondrial ATP synthases. Commun Biol, 3, 2020
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1CTL
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![BU of 1ctl by Molmil](/molmil-images/mine/1ctl) | STRUCTURE OF THE CARBOXY-TERMINAL LIM DOMAIN FROM THE CYSTEINE RICH PROTEIN CRP | Descriptor: | AVIAN CYSTEINE RICH PROTEIN, ZINC ION | Authors: | Perez-Alvarado, G.C, Miles, C, Michelsen, J.W, Louis, H.A, Winge, D.R, Beckerle, M.C, Summers, M.F. | Deposit date: | 1995-01-06 | Release date: | 1995-06-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the carboxy-terminal LIM domain from the cysteine rich protein CRP. Nat.Struct.Biol., 1, 1994
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6VL2
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![BU of 6vl2 by Molmil](/molmil-images/mine/6vl2) | Stigmurin | Descriptor: | Stigmurin | Authors: | Rodrigues, S.C.S, Resende, J.M, Araujo, R.M, Pedrosa, M.F.F. | Deposit date: | 2020-01-22 | Release date: | 2021-01-13 | Last modified: | 2021-01-20 | Method: | SOLUTION NMR | Cite: | NMR three-dimensional structure of the cationic peptide Stigmurin from Tityus stigmurus scorpion venom: In vitro antioxidant and in vivo antibacterial and healing activity. Peptides, 137, 2021
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1E6R
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![BU of 1e6r by Molmil](/molmil-images/mine/1e6r) | Chitinase B from Serratia marcescens wildtype in complex with inhibitor allosamidin | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE B, ... | Authors: | Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2000-08-22 | Release date: | 2001-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase Proc.Natl.Acad.Sci.USA, 98, 2001
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6W3O
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![BU of 6w3o by Molmil](/molmil-images/mine/6w3o) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with 4-methylisoleucine | Descriptor: | 4-methylisoleucine, CHLORIDE ION, Methyl-accepting chemotaxis protein, ... | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | Deposit date: | 2020-03-09 | Release date: | 2020-05-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
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6WN6
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![BU of 6wn6 by Molmil](/molmil-images/mine/6wn6) | Crystal structure of 3-keto-D-glucoside 4-epimerase, YcjR, from E. coli, apo form | Descriptor: | 1,2-ETHANEDIOL, 3-keto-D-glucoside 4-epimerase, MANGANESE (II) ION | Authors: | Mabanglo, M.F, Raushel, F.M, Mukherjee, K. | Deposit date: | 2020-04-22 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure and Reaction Mechanism of YcjR, an Epimerase That Facilitates the Interconversion of d-Gulosides to d-Glucosides inEscherichia coli. Biochemistry, 59, 2020
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1CW9
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![BU of 1cw9 by Molmil](/molmil-images/mine/1cw9) | DNA DECAMER WITH AN ENGINEERED CROSSLINK IN THE MINOR GROOVE | Descriptor: | 5'-D(*CP*CP*AP*GP*(G47)P*CP*CP*TP*GP*G)-3', CALCIUM ION | Authors: | van Aalten, D.M.F, Erlanson, D.A, Verdine, G.L, Joshua-Tor, L. | Deposit date: | 1999-08-26 | Release date: | 1999-10-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A structural snapshot of base-pair opening in DNA. Proc.Natl.Acad.Sci.USA, 96, 1999
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1D1D
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![BU of 1d1d by Molmil](/molmil-images/mine/1d1d) | |
6WVT
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![BU of 6wvt by Molmil](/molmil-images/mine/6wvt) | Structural basis of alphaE-catenin - F-actin catch bond behavior | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Xu, X.P, Pokutta, S, Torres, M, Swift, M.F, Hanein, D, Volkmann, N, Weis, W.I. | Deposit date: | 2020-05-06 | Release date: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3.56 Å) | Cite: | Structural basis of alpha E-catenin-F-actin catch bond behavior. Elife, 9, 2020
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6VKO
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![BU of 6vko by Molmil](/molmil-images/mine/6vko) | |
6VNT
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![BU of 6vnt by Molmil](/molmil-images/mine/6vnt) | Tryptophan synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and sodium ion at the metal coordination site at 1.25 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ... | Authors: | Hilario, E, Fan, L, Dunn, M.F, Mueller, L.J. | Deposit date: | 2020-01-29 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Tryptophan synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and sodium ion at the metal coordination site at 1.25 Angstrom resolution. To be Published
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4Z3S
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![BU of 4z3s by Molmil](/molmil-images/mine/4z3s) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with antibiotic A201A, mRNA and three tRNAs in the A, P and E sites at 2.65A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine, ... | Authors: | Polikanov, Y.S, Starosta, A.L, Juette, M.F, Altman, R.B, Terry, D.S, Lu, W, Burnett, B.J, Dinos, G, Reynolds, K, Blanchard, S.C, Steitz, T.A, Wilson, D.N. | Deposit date: | 2015-03-31 | Release date: | 2015-06-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Distinct tRNA Accommodation Intermediates Observed on the Ribosome with the Antibiotics Hygromycin A and A201A. Mol.Cell, 58, 2015
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6W3Y
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![BU of 6w3y by Molmil](/molmil-images/mine/6w3y) | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-alanine | Descriptor: | ALANINE, CHLORIDE ION, GLYCEROL, ... | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | Deposit date: | 2020-03-09 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3. Biomolecules, 10, 2020
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6WX3
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![BU of 6wx3 by Molmil](/molmil-images/mine/6wx3) | High resolution Tryptophan Synthase crystal structure from Salmonella typhimurium in complex with F9 inhibitor in the alpha-site, Cesium ion at the metal coordination site and internal aldimine form. | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | Deposit date: | 2020-05-09 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High resolution Tryptophan Synthase crystal structure from Salmonella typhimurium in complex with F9 inhibitor in the alpha-site, Cesium ion at the metal coordination site and internal aldimine form. To be Published
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6WDU
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![BU of 6wdu by Molmil](/molmil-images/mine/6wdu) | The external aldimine form of the Salmonella thypi wild-type tryptophan synthase in open conformation showing multiple side chain conformations for the residue beta Q114 and sodium ion at the metal coordination site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hilario, E, Fan, L, Dunn, M.F, Mueller, L.J. | Deposit date: | 2020-04-01 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The external aldimine form of the Salmonella thypi wild-type tryptophan synthase in open conformation showing multiple side chain conformations for the residue beta Q114 and sodium ion at the metal coordination site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. To be Published
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