5E0Y
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5E22
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![BU of 5e22 by Molmil](/molmil-images/mine/5e22) | The second PDZ domain of Ligand of Numb protein X 2 in the presence of an electric field of ~1 MV/cm along the crystallographic x axis, with eightfold extrapolation of structure factor differences. | Descriptor: | GLYCEROL, Ligand of Numb protein X 2 | Authors: | Hekstra, D.R, White, K.I, Socolich, M.A, Henning, R.W, Srajer, V, Ranganathan, R. | Deposit date: | 2015-09-30 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | Electric-field-stimulated protein mechanics. Nature, 540, 2016
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3KX7
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![BU of 3kx7 by Molmil](/molmil-images/mine/3kx7) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - apo wild type FlK | Descriptor: | Fluoroacetyl-CoA thioesterase FlK | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-12-02 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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5L7R
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![BU of 5l7r by Molmil](/molmil-images/mine/5l7r) | Crystal structure of BvGH123 | Descriptor: | 1,2-ETHANEDIOL, glycoside hydrolase | Authors: | Roth, C, Petricevic, M, John, A, Goddard-Borger, E.D, Davies, G.J, Williams, S.J. | Deposit date: | 2016-06-03 | Release date: | 2017-03-22 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and mechanistic insights into a Bacteroides vulgatus retaining N-acetyl-beta-galactosaminidase that uses neighbouring group participation. Chem. Commun. (Camb.), 52, 2016
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6LJA
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![BU of 6lja by Molmil](/molmil-images/mine/6lja) | Crystal Structure of exoHep from Bacteroides intestinalis DSM 17393 complexed with disaccharide product | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein | Authors: | Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z. | Deposit date: | 2019-12-13 | Release date: | 2020-12-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | Discovery of exolytic heparinases and their catalytic mechanism and potential application. Nat Commun, 12, 2021
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5L1R
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![BU of 5l1r by Molmil](/molmil-images/mine/5l1r) | X-ray Structure of the Substrate-free Cytochrome P450 PntM | Descriptor: | BICINE, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase | Authors: | Duan, L, Jogl, G, Cane, D.E. | Deposit date: | 2016-07-29 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
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4F7W
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![BU of 4f7w by Molmil](/molmil-images/mine/4f7w) | Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with N-pentylpantothenamide | Descriptor: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase, ... | Authors: | Li, B, Tempel, W, Smil, D, Bolshan, Y, Hong, B.S, Park, H.W, Structural Genomics Consortium (SGC) | Deposit date: | 2012-05-16 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of Klebsiella pneumoniae pantothenate kinase in complex with N-substituted pantothenamides. Proteins, 81, 2013
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4F97
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![BU of 4f97 by Molmil](/molmil-images/mine/4f97) | Crystal Structure of VldE, the pseudo-glycosyltransferase, in complex with GDP and validoxylamine A 7'-phosphate | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Cavalier, M.C, Yim, Y.-S, Asamizu, S, Neau, D, Almabruk, K.H, Mahmud, T, Lee, Y.-H. | Deposit date: | 2012-05-18 | Release date: | 2012-10-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | Mechanistic Insights into Validoxylamine A 7'-Phosphate Synthesis by VldE Using the Structure of the Entire Product Complex. Plos One, 7, 2012
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5L3J
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![BU of 5l3j by Molmil](/molmil-images/mine/5l3j) | ESCHERICHIA COLI DNA GYRASE B IN COMPLEX WITH BENZOTHIAZOLE-BASED INHIBITOR | Descriptor: | 2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid, DNA gyrase subunit B, IODIDE ION | Authors: | Gjorgjieva, M, Tomasic, T, Barancokova, M, Katsamakas, S, Ilas, J, Montalvao, S, Tammella, P, Peterlin Masic, L, Kikelj, D. | Deposit date: | 2016-05-23 | Release date: | 2016-08-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of Benzothiazole Scaffold-Based DNA Gyrase B Inhibitors. J.Med.Chem., 59, 2016
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1I6P
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![BU of 1i6p by Molmil](/molmil-images/mine/1i6p) | CRYSTAL STRUCTURE OF E. COLI BETA CARBONIC ANHYDRASE (ECCA) | Descriptor: | CARBONIC ANHYDRASE, ZINC ION | Authors: | Cronk, J.D, Endrizzi, J.A, Cronk, M.R, O'Neill, J.W, Zhang, K.Y.J. | Deposit date: | 2001-03-02 | Release date: | 2001-05-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of E. coli beta-carbonic anhydrase, an enzyme with an unusual pH-dependent activity. Protein Sci., 10, 2001
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8SPM
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![BU of 8spm by Molmil](/molmil-images/mine/8spm) | Crystal structure of NikA in complex Ni-AMA | Descriptor: | Aspergillomarasmine A, NICKEL (II) ION, Nickel ABC transporter, ... | Authors: | Sychantha, D, Prehna, G, Wright, G.D. | Deposit date: | 2023-05-03 | Release date: | 2024-04-10 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Targeting bacterial nickel transport with aspergillomarasmine A suppresses virulence-associated Ni-dependent enzymes. Nat Commun, 15, 2024
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7R2K
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![BU of 7r2k by Molmil](/molmil-images/mine/7r2k) | elongated Cascade complex from type I-A CRISPR-Cas system | Descriptor: | CRISPR-associated endonuclease Cas3-HD, CRISPR-associated helicase Cas3, Cas11a, ... | Authors: | Hu, C, Ni, D, Nam, K.H, Terns, M, Stahlberg, H, Ke, A. | Deposit date: | 2022-02-04 | Release date: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural snapshots for an atypic type I CRISPR-Cas system To Be Published
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4F5W
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![BU of 4f5w by Molmil](/molmil-images/mine/4f5w) | Crystal structure of ligand free human STING CTD | Descriptor: | CALCIUM ION, Transmembrane protein 173 | Authors: | Gu, L, Shang, G, Zhu, D, Li, N, Zhang, J, Zhu, C, Lu, D, Liu, C, Yu, Q, Zhao, Y, Xu, S. | Deposit date: | 2012-05-13 | Release date: | 2012-06-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Crystal structures of STING protein reveal basis for recognition of cyclic di-GMP Nat.Struct.Mol.Biol., 19, 2012
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5L1U
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7RYA
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![BU of 7rya by Molmil](/molmil-images/mine/7rya) | S. CEREVISIAE CYP51 I471T MUTANT COMPLEXED WITH ITRACONAZOLE | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. | Deposit date: | 2021-08-24 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate. J Fungi (Basel), 7, 2021
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6DO5
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![BU of 6do5 by Molmil](/molmil-images/mine/6do5) | KLHDC2 ubiquitin ligase in complex with USP1 C-end degron | Descriptor: | Kelch domain-containing protein 2, USP1 C-END DEGRON | Authors: | Rusnac, D.V, Lin, H.C, Yen, H.C.S, Zheng, N. | Deposit date: | 2018-06-08 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Recognition of the Diglycine C-End Degron by CRL2KLHDC2Ubiquitin Ligase. Mol. Cell, 72, 2018
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3LBE
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![BU of 3lbe by Molmil](/molmil-images/mine/3lbe) | The Crystal Structure of smu.793 from Streptococcus mutans UA159 bound to acetyl CoA | Descriptor: | CHLORIDE ION, COENZYME A, Putative uncharacterized protein smu.793 | Authors: | Su, X.-D, Hou, Q.M, Fan, X.X, Nan, J, Liu, X. | Deposit date: | 2010-01-08 | Release date: | 2011-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of smu.793 from Streptococcus mutans UA159 bound to acetyl CoA TO BE PUBLISHED
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1IBV
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![BU of 1ibv by Molmil](/molmil-images/mine/1ibv) | STRUCTURE OF THE D53,54N MUTANT OF HISTIDINE DECARBOXYLASE BOUND WITH HISTIDINE METHYL ESTER AT-170 C | Descriptor: | HISTIDINE DECARBOXYLASE BETA CHAIN, HISTIDINE-METHYL-ESTER, Histidine decarboxylase alpha chain | Authors: | Worley, S, Schelp, E, Monzingo, A.F, Ernst, S, Robertus, J.D. | Deposit date: | 2001-03-29 | Release date: | 2002-03-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and cooperativity of a T-state mutant of histidine decarboxylase from Lactobacillus 30a. Proteins, 46, 2002
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7RYX
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![BU of 7ryx by Molmil](/molmil-images/mine/7ryx) | S. CEREVISIAE CYP51 COMPLEXED WITH VT-1129 | Descriptor: | (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ruma, Y.N, Sagatova, A, Keniya, M.V, Tyndall, J.D, Monk, B.C. | Deposit date: | 2021-08-26 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterisation of Candida parapsilosis CYP51 as a Drug Target Using Saccharomyces cerevisiae as Host. J Fungi, 8, 2022
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1I36
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![BU of 1i36 by Molmil](/molmil-images/mine/1i36) | Structure of Conserved Protein MTH1747 of Unknown Function Reveals Structural Similarity with 3-Hydroxyacid Dehydrogenases | Descriptor: | CONSERVED HYPOTHETICAL PROTEIN MTH1747, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Korolev, S.V, Dementieva, I.S, Christendat, D, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2001-02-13 | Release date: | 2002-05-15 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | STRUCTURAL SIMILARITIES OF MTH1747 HYPOTHETICAL PROTEIN FROM METHANOBACTERIUM THERMOAUTOTROPHICUM WITH 3-HYDROXYACID DEHYDROGENASES to be published
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5L8Z
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![BU of 5l8z by Molmil](/molmil-images/mine/5l8z) | Structure of thermostable DNA-binding HU protein from micoplasma Spiroplasma melliferum | Descriptor: | DNA-binding protein, SODIUM ION | Authors: | Boyko, K.M, Gorbacheva, M.A, Rakitina, T.V, Korzhenevskiy, D.A, Kamashev, D.E, Vanyushkina, A.A, Lipkin, A.V, Popov, V.O. | Deposit date: | 2016-06-09 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis of the high thermal stability of the histone-like HU protein from the mollicute Spiroplasma melliferum KC3. Sci Rep, 6, 2016
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5L1T
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7S8W
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![BU of 7s8w by Molmil](/molmil-images/mine/7s8w) | Amycolatopsis sp. T-1-60 N-succinylamino acid racemase/o-succinylbenzoate synthase R266Q mutant in complex with N-succinylphenylglycine | Descriptor: | MAGNESIUM ION, N-succinyl-L-phenylglycine, N-succinylamino acid racemase/O-succinylbenzoate synthase, ... | Authors: | Truong, D.P, Rousseau, S, Sacchettini, J.C, Glasner, M.E. | Deposit date: | 2021-09-20 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Second-Shell Amino Acid R266 Helps Determine N -Succinylamino Acid Racemase Reaction Specificity in Promiscuous N -Succinylamino Acid Racemase/ o -Succinylbenzoate Synthase Enzymes. Biochemistry, 60, 2021
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5DU9
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![BU of 5du9 by Molmil](/molmil-images/mine/5du9) | First condensation domain of the calcium-dependent antibiotic synthetase in complex with substrate analogue 2a | Descriptor: | (2S)-2-amino-N-butyl-propanamide, CDA peptide synthetase I, CHLORIDE ION, ... | Authors: | Bloudoff, K, Alonzo, D.A, Schmeing, T.M. | Deposit date: | 2015-09-18 | Release date: | 2016-03-30 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Chemical Probes Allow Structural Insight into the Condensation Reaction of Nonribosomal Peptide Synthetases. Cell Chem Biol, 23, 2016
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4V3K
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![BU of 4v3k by Molmil](/molmil-images/mine/4v3k) | RNF38-UbcH5B-UB complex | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE RNF38, ... | Authors: | Buetow, L, Gabrielsen, M, Anthony, N.G, Dou, H, Patel, A, Aitkenhead, H, Sibbet, G.J, Smith, B.O, Huang, D.T. | Deposit date: | 2014-10-20 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Activation of a Primed Ring E3-E2-Ubiquitin Complex by Non-Covalent Ubiquitin. Mol.Cell, 58, 2015
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