2L2Z
 
 | | Thiostrepton, reduced at N-CA bond of residue 14 | | Descriptor: | Thiostrepton | | Authors: | Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D. | | Deposit date: | 2010-08-27 | | Release date: | 2011-02-02 | | Last modified: | 2013-06-26 | | Method: | SOLUTION NMR | | Cite: | NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
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1YYR
 | | Y305F Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4R)-7-azabisabolene | | Descriptor: | (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-02-25 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
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6KW7
 | | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 12 | | Descriptor: | 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Peng, Y.H, Wu, S.Y. | | Deposit date: | 2019-09-06 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors.
J.Med.Chem., 63, 2020
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4IES
 | | Cys-persulfenate bound Cysteine Dioxygenase at pH 6.2 in the presence of Cys | | Descriptor: | Cysteine dioxygenase type 1, FE (III) ION, S-HYDROPEROXYCYSTEINE | | Authors: | Driggers, C.M, Cooley, R.B, Sankaran, B, Karplus, P.A. | | Deposit date: | 2012-12-13 | | Release date: | 2013-06-26 | | Last modified: | 2013-09-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Cysteine Dioxygenase Structures from pH4 to 9: Consistent Cys-Persulfenate Formation at Intermediate pH and a Cys-Bound Enzyme at Higher pH.
J.Mol.Biol., 425, 2013
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6KSA
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6AYB
 | | Naegleria fowleri CYP51-ketoconazole complex | | Descriptor: | 1,2-ETHANEDIOL, 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, CALCIUM ION, ... | | Authors: | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | | Deposit date: | 2017-09-08 | | Release date: | 2017-11-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
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2RFZ
 | | Crystal structure of cellobiohydrolase from Melanocarpus albomyces complexed with cellotriose | | Descriptor: | Cellulose 1,4-beta-cellobiosidase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Parkkinen, T, Koivula, A, Vehmaanper, J, Rouvinen, J. | | Deposit date: | 2007-10-02 | | Release date: | 2008-09-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of Melanocarpus albomyces cellobiohydrolase Cel7B in complex with cello-oligomers show high flexibility in the substrate binding
Protein Sci., 17, 2008
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4DI5
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4IM7
 | | Crystal structure of fructuronate reductase (ydfI) from E. coli CFT073 (EFI TARGET EFI-506389) complexed with NADH and D-mannonate | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-MANNONIC ACID, Hypothetical oxidoreductase ydfI, ... | | Authors: | Lukk, T, Wichelecki, D, Imker, H.J, Gerlt, J.A, Nair, S.K. | | Deposit date: | 2013-01-02 | | Release date: | 2013-01-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of fructuronate reductase (ydfI) from E. coli CFT073 (EFI TARGET EFI-506389) complexed with NADH and D-mannonate
To be Published
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1Z13
 | | Crystal Structure of Bovine Low Molecular Weight PTPase Complexed with Molybdate | | Descriptor: | Low molecular weight phosphotyrosine protein phosphatase, MOLYBDATE ION | | Authors: | Zhang, M, Zhou, M, Van Etten, R.L, Stauffacher, C.V. | | Deposit date: | 2005-03-03 | | Release date: | 2005-04-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of Bovine Low Molecular Weight Phosphotyrosyl Phosphatase Complexed with the Transition State Analog Vanadate
Biochemistry, 36, 1997
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3HTB
 | | 2-propylphenol in complex with T4 lysozyme L99A/M102Q | | Descriptor: | 2-propylphenol, BETA-MERCAPTOETHANOL, Lysozyme, ... | | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | Deposit date: | 2009-06-11 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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6KW9
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4DZ5
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1Z32
 | | Structure-function relationships in human salivary alpha-amylase: Role of aromatic residues | | Descriptor: | 4-amino-4,6-dideoxy-alpha-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, CALCIUM ION, ... | | Authors: | Ramasubbu, N, Ragunath, C, Sundar, K, Mishra, P.J, Gyemant, G, Kandra, L. | | Deposit date: | 2005-03-10 | | Release date: | 2005-05-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-function relationships in human salivary alpha-amylase: Role of aromatic residues
To be Published
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6AMP
 | | Crystal structure of H172A PHM (CuH absent, CuM present) | | Descriptor: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2017-08-10 | | Release date: | 2018-07-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
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6ABN
 | | Crystal Structure of HEWL at pH 8.6 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Seyedarabi, A, Seraj, Z. | | Deposit date: | 2018-07-22 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | The aroma of TEMED as an activation and stabilizing signal for the antibacterial enzyme HEWL.
Plos One, 15, 2020
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4DJH
 | | Structure of the human kappa opioid receptor in complex with JDTic | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, CITRIC ACID, ... | | Authors: | Wu, H, Wacker, D, Katritch, V, Mileni, M, Han, G.W, Vardy, E, Liu, W, Thompson, A.A, Huang, X.P, Carroll, F.I, Mascarella, S.W, Westkaemper, R.B, Mosier, P.D, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2012-02-01 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | tructure of the human kappa-opioid receptor in complex with JDTic
Nature, 485, 2012
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2B75
 | | T4 Lysozyme mutant L99A at 150 MPa | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme | | Authors: | Collins, M.D, Quillin, M.L, Matthews, B.W, Gruner, S.M. | | Deposit date: | 2005-10-03 | | Release date: | 2005-11-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cooperative water filling of a nonpolar protein cavity observed by high-pressure crystallography and simulation
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1ZPE
 | | Arginase I covalently modified with butylamine at Q19C | | Descriptor: | Arginase 1, MANGANESE (II) ION | | Authors: | Colleluori, D.M, Reczkowski, R.S, Emig, F.A, Cama, E, Cox, J.D, Scolnick, L.R, Compher, K, Jude, K, Han, S, Viola, R.E, Christianson, D.W, Ash, D.E. | | Deposit date: | 2005-05-16 | | Release date: | 2005-12-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Probing the role of the hyper-reactive histidine residue of arginase.
Arch.Biochem.Biophys., 444, 2005
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6AC2
 | | Crystal Structure of HEWL at pH 2.2 | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | Authors: | Seyedarabi, A, Seraj, Z. | | Deposit date: | 2018-07-24 | | Release date: | 2019-07-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Cinnamaldehyde and Phenyl Ethyl Alcohol promote the entrapment of intermediate species of HEWL, as revealed by structural, kinetics and thermal stability studies.
Sci Rep, 9, 2019
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6KXN
 | | Crystal structure of W50A mutant of Chitiniphilus shinanonensis chitinase ChiL (CsChiL) complexed with N,N'-diacetylchitobiose | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ueda, M, Shimosaka, M, Arai, R. | | Deposit date: | 2019-09-12 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of CsChiL, a chitinase from Chitiniphilus shinanonensis
To be published
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6ACH
 | | Structure of NAD+-bound leucine dehydrogenase from Geobacillus stearothermophilus by cryo-EM | | Descriptor: | Leucine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Yamaguchi, H, Kamegawa, A, Nakata, K, Kashiwagi, T, Mizukoshi, T, Fujiyoshi, Y, Tani, K. | | Deposit date: | 2018-07-26 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into thermostabilization of leucine dehydrogenase from its atomic structure by cryo-electron microscopy
J. Struct. Biol., 205, 2019
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3DMX
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4IDF
 | | Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADPH and HMF | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-5-methylfuran-3(2H)-one, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schiefner, A, Skerra, A. | | Deposit date: | 2012-12-12 | | Release date: | 2013-04-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
J.Biol.Chem., 288, 2013
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3F80
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