4PE1
 
 | | Crystal Structure of Calcium-loaded S100B bound to SC124 | | Descriptor: | CALCIUM ION, DIETHYLCARBAMODITHIOIC ACID, Protein S100-B | | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | | Deposit date: | 2014-04-22 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.576 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
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5ODH
 | | Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus soaked with heterodisulfide for 3.5 minutes | | Descriptor: | 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... | | Authors: | Wagner, T, Koch, J, Ermler, U, Shima, S. | | Deposit date: | 2017-07-05 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
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5ADJ
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(2-(Methylamino)ethyl)phenoxy)methyl)quinolin-2- amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2015-08-20 | | Release date: | 2015-10-28 | | Last modified: | 2015-11-25 | | Method: | X-RAY DIFFRACTION (2.217 Å) | | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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4PAK
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM VERMINEPHROBACTER EISENIAE EF01-2 (Veis_3954, TARGET EFI-510324) A NEPHRIDIAL SYMBIONT OF THE EARTHWORM EISENIA FOETIDA, BOUND TO (R)-PANTOIC ACID | | Descriptor: | PANTOATE, SULFATE ION, TRAP dicarboxylate transporter, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-04-09 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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5O0Q
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5O5Q
 | | X-ray crystal structure of RapZ from Escherichia coli (P3221 space group) | | Descriptor: | RNase adapter protein RapZ, SULFATE ION | | Authors: | Gonzalez, G.M, Durica-Mitic, S, Hardwick, S.W, Moncrieffe, M, Resch, M, Neumann, P, Ficner, R, Gorke, B, Luisi, B.F. | | Deposit date: | 2017-06-02 | | Release date: | 2017-08-30 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism.
Nucleic Acids Res., 45, 2017
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6PHC
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7AZW
 | | Crystal structure of the MIZ1-BTB-domain | | Descriptor: | GLYCEROL, Zinc finger and BTB domain-containing protein 17 isoform X1 | | Authors: | Orth, B, Sander, B, Diederichs, K, Lorenz, S. | | Deposit date: | 2020-11-17 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of an atypical interaction site in the BTB domain of the MYC-interacting zinc-finger protein 1.
Structure, 29, 2021
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5O79
 | | Klebsiella pneumoniae OmpK36 | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, OmpK36 | | Authors: | van den berg, B, Pathania, M. | | Deposit date: | 2017-06-08 | | Release date: | 2018-06-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins.
Acs Infect Dis., 4, 2018
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3V99
 | | S663D Stable-5-LOX in complex with Arachidonic Acid | | Descriptor: | ARACHIDONIC ACID, Arachidonate 5-lipoxygenase, FE (II) ION | | Authors: | Gilbert, N.C, Rui, Z, Neau, D.B, Waight, M, Bartlett, S.G, Boeglin, W.E, Brash, A.R, Newcomer, M.E. | | Deposit date: | 2011-12-23 | | Release date: | 2012-05-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.252 Å) | | Cite: | Conversion of human 5-lipoxygenase to a 15-lipoxygenase by a point mutation to mimic phosphorylation at Serine-663.
Faseb J., 26, 2012
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7AZX
 | | Crystal structure of the MIZ1-BTB-domain in complex with a HUWE1-derived peptide | | Descriptor: | E3 ubiquitin-protein ligase HUWE1, Zinc finger and BTB domain-containing protein 17 isoform X1 | | Authors: | Orth, B, Sander, B, Diederichs, K, Lorenz, S. | | Deposit date: | 2020-11-17 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Identification of an atypical interaction site in the BTB domain of the MYC-interacting zinc-finger protein 1.
Structure, 29, 2021
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5ADL
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(Methylamino)methyl)phenoxy)methyl)quinolin-2- amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2015-08-20 | | Release date: | 2015-10-28 | | Last modified: | 2015-11-25 | | Method: | X-RAY DIFFRACTION (2.205 Å) | | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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5OBM
 | | Crystal structure of Gentamicin bound to the yeast 80S ribosome | | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 18S ribosomal RNA, 25S ribosomal RNA, ... | | Authors: | Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G. | | Deposit date: | 2017-06-28 | | Release date: | 2017-12-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Aminoglycoside interactions and impacts on the eukaryotic ribosome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5ODO
 | | Crystal Structure of the Oleate hydratase of Rhodococcus erythropolis | | Descriptor: | FORMIC ACID, GLYCEROL, Isomerase, ... | | Authors: | Driller, R, Lorenzen, J, Waldow, A, Qoura, F, Brueck, T, Loll, B. | | Deposit date: | 2017-07-06 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Rhodococcus erythropolis Oleate Hydratase: a New Member in the Oleate Hydratase Family Tree - Biochemical and Structural Studies.
Chemcatchem, 2017
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6CRO
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1O5D
 | | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, Coagulation factor VII, Tissue factor | | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | | Deposit date: | 2003-09-09 | | Release date: | 2004-09-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
J.Mol.Biol., 344, 2004
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5OFO
 | | Cryo EM structure of the E. coli disaggregase ClpB (BAP form, DWB mutant), in the ATPgammaS state, bound to the model substrate casein | | Descriptor: | Chaperone protein ClpB,ATP-dependent Clp protease ATP-binding subunit ClpA,Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Deville, C, Carroni, M, Franke, K.B, Topf, M, Bukau, B, Mogk, A, Saibil, H.R. | | Deposit date: | 2017-07-11 | | Release date: | 2017-08-16 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural pathway of regulated substrate transfer and threading through an Hsp100 disaggregase.
Sci Adv, 3, 2017
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4PC9
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSENBACTER DENITRIFICANS OCh 114 (RD1_1052, TARGET EFI-510238) WITH BOUND D-MANNONATE | | Descriptor: | C4-dicarboxylate transport system, substrate-binding protein, putative, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-04-14 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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7B04
 | | Structure of Nitrite oxidoreductase (Nxr) from the anammox bacterium Kuenenia stuttgartiensis. | | Descriptor: | CALCIUM ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | | Authors: | Moreno-Chicano, T, Dietl, A, Akram, M, Barends, T.R.M. | | Deposit date: | 2020-11-18 | | Release date: | 2021-07-14 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Structural and functional characterization of the intracellular filament-forming nitrite oxidoreductase multiprotein complex
Nat Microbiol, 2021
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5AC3
 | | Crystal structure of PAM12A | | Descriptor: | ACETIC ACID, CADMIUM ION, PEPTIDE AMIDASE | | Authors: | Wu, B, Wijma, H.J, Song, L, Rozeboom, H.J, Poloni, C, Tian, Y, Arif, M.I, Nuijens, T, Quadflieg, P.J.L.M, Szymanski, W, Feringa, B.L, Janssen, D.B. | | Deposit date: | 2015-08-11 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Versatile Peptide C-Terminal Functionalization Via a Computationally Peptide Amidase
Acs Catalysis, 2016
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4PDH
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM POLAROMONAS SP JS666 (Bpro_1871, TARGET EFI-510164) BOUND TO D-ERYTHRONATE | | Descriptor: | (2R,3R)-2,3,4-trihydroxybutanoic acid, TRAP dicarboxylate transporter, DctP subunit | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-04-18 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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1ODU
 | | CRYSTAL STRUCTURE OF THERMOTOGA MARITIMA ALPHA-FUCOSIDASE IN COMPLEX WITH FUCOSE | | Descriptor: | PUTATIVE ALPHA-L-FUCOSIDASE, beta-L-fucopyranose | | Authors: | Sulzenbacher, G, Bignon, C, Bourne, Y, Henrissat, B. | | Deposit date: | 2003-03-14 | | Release date: | 2004-01-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Thermotoga Maritima {Alpha}-L-Fucosidase: Insights Into the Catalytic Mechanism and the Molecular Basis for Fucosidosis
J.Biol.Chem., 279, 2004
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4PE3
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RHODOBACTER SPHAEROIDES (Rsph17029_3620, TARGET EFI-510199), APO OPEN STRUCTURE | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, IMIDAZOLE, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-04-22 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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3DHG
 | | Crystal Structure of Toluene 4-Monoxygenase Hydroxylase | | Descriptor: | AZIDE ION, CALCIUM ION, FE (III) ION, ... | | Authors: | Bailey, L.J, Mccoy, J.G, Phillips Jr, G.N, Fox, B.G. | | Deposit date: | 2008-06-17 | | Release date: | 2008-12-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural consequences of effector protein complex formation in a diiron hydroxylase.
Proc.Natl.Acad.Sci.USA, 105, 2008
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4PM5
 | | Crystal structure of CTX-M-14 S70G beta-lactamase in complex with cefotaxime at 1.26 Angstroms resolution | | Descriptor: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14, SULFATE ION | | Authors: | Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T. | | Deposit date: | 2014-05-20 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.261 Å) | | Cite: | Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
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