4MDZ
 
 | | Crystal structure of a HD-GYP domain (a cyclic-di-GMP phosphodiesterase) containing a tri-nuclear metal centre | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), FE (III) ION, Metal dependent phosphohydrolase, ... | | Authors: | Bellini, D, Walsh, M.A, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2013-08-23 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Crystal structure of an HD-GYP domain cyclic-di-GMP phosphodiesterase reveals an enzyme with a novel trinuclear catalytic iron centre.
Mol.Microbiol., 91, 2014
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4MGJ
 | | Crystal structure of cytochrome P450 2B4 F429H in complex with 4-CPI | | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yang, Y, Zhang, H, Usharani, D, Bu, W, Im, S, Tarasev, M, Rwere, F, Meagher, J, Sun, C, Stuckey, J, Shaik, S, Waskell, L. | | Deposit date: | 2013-08-28 | | Release date: | 2014-08-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structural and Functional Characterization of a Cytochrome P450 2B4 F429H Mutant with an Axial Thiolate-Histidine Hydrogen Bond.
Biochemistry, 53, 2014
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4LQ9
 | | Crystal structure of human norovirus RNA-dependent RNA-polymerase in complex with NAF2 | | Descriptor: | MAGNESIUM ION, RNA-dependent RNA-polymerase, naphthalene-1,5-disulfonic acid | | Authors: | Milani, M, Tarantino, D, Mastrangelo, E, Croci, R. | | Deposit date: | 2013-07-17 | | Release date: | 2014-02-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Naphthalene-sulfonate inhibitors of human norovirus RNA-dependent RNA-polymerase.
Antiviral Res., 102, 2014
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4LQR
 | | Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens | | Descriptor: | CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein | | Authors: | Grondin, J.M, Furness, H.S, Duan, D, Spencer, C.A, Allingham, J.S, Smith, S.P. | | Deposit date: | 2013-07-19 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
Plos One, 12, 2017
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4LQV
 | | Thrirty minutes iron loaded frog M ferritin | | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | | Deposit date: | 2013-07-19 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
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4LS9
 | | Structure of mycobacterial nrnA homolog reveals multifunctional nuclease activities | | Descriptor: | DHH family protein, GLYCEROL, MANGANESE (II) ION | | Authors: | Kumar, D, Srivastav, R, Grover, A, Manjasetty, B.A, Sharma, R, Taneja, B. | | Deposit date: | 2013-07-22 | | Release date: | 2014-07-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Unique subunit packing in mycobacterial nanoRNase leads to alternate substrate recognitions in DHH phosphodiesterases
Nucleic Acids Res., 42, 2014
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4LYU
 | | Fifteen minutes iron loaded frog M ferritin | | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | | Deposit date: | 2013-07-31 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
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4LZB
 | | Uracil binding pocket in Vaccinia virus uracil DNA glycosylase | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schormann, N, Chattopadhyay, D. | | Deposit date: | 2013-07-31 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure of the uracil complex of Vaccinia virus uracil DNA glycosylase.
Acta Crystallogr.,Sect.F, 69, 2013
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4LVB
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | 1,2-ETHANEDIOL, N-[4-(acetylamino)phenyl]cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-07-26 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.836 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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4ND1
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4NED
 | | Crystal STRUCTURE OF C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH FENOPROFEN AT 2.1 ANGSTROM RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Gautam, L, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-10-29 | | Release date: | 2013-12-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal STRUCTURE OF C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH FENOPROFEN AT 2.1 ANGSTROM RESOLUTION
To be Published
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4NIM
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4NJV
 | | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with ritonavir | | Descriptor: | Protease, RITONAVIR | | Authors: | Yedidi, R.S, Garimella, H, Chang, S.B, Kaufman, J.D, Das, D, Wingfield, P.T, Mitsuya, H. | | Deposit date: | 2013-11-11 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV.
Antimicrob.Agents Chemother., 58, 2014
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4ND3
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4NR8
 | | Crystal structure of the first bromodomain of human BRD4 in complex with an isoxazolyl-benzimidazole ligand | | Descriptor: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole, Bromodomain-containing protein 4, ... | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-26 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.635 Å) | | Cite: | Crystal structure of the first bromodomain of human BRD4 in complex with an isoxazolyl-benzimidazole ligand
To be Published
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4O0L
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4NEJ
 | | Small molecular fragment bound to crystal contact interface of Interleukin-2 | | Descriptor: | 5-methylfuran-2-carboxylic acid, Interleukin-2 | | Authors: | Brenke, R, Jehle, S, Vajda, S, Allen, K.N, Kozakov, D. | | Deposit date: | 2013-10-29 | | Release date: | 2014-11-19 | | Method: | X-RAY DIFFRACTION (1.919 Å) | | Cite: | Small molecular fragments bound to binding energy hot-spot in crystal contact interface of Interleukin-2
To be Published
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4NJ8
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4MOM
 | | Pyranose 2-oxidase H450G mutant with 3-fluorinated galactose | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-deoxy-3-fluoro-beta-D-galactopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | | Authors: | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | | Deposit date: | 2013-09-12 | | Release date: | 2014-02-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
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4MRS
 | | Structure of a bacterial Atm1-family ABC transporter | | Descriptor: | ABC transporter related protein, LAURYL DIMETHYLAMINE-N-OXIDE, OXIDIZED GLUTATHIONE DISULFIDE, ... | | Authors: | Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C. | | Deposit date: | 2013-09-17 | | Release date: | 2014-03-19 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis for heavy metal detoxification by an Atm1-type ABC exporter.
Science, 343, 2014
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4MOG
 | | Pyranose 2-oxidase V546C mutant with 3-fluorinated glucose | | Descriptor: | 3-deoxy-3-fluoro-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase | | Authors: | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | | Deposit date: | 2013-09-12 | | Release date: | 2014-02-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
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4MOK
 | | Pyranose 2-oxidase H167A mutant soaked with 3-fluorinated galactose (not bound) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECAETHYLENE GLYCOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | | Deposit date: | 2013-09-12 | | Release date: | 2014-02-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
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4MQL
 | | Crystal structure of Antigen 85C-C209S mutant | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Diacylglycerol acyltransferase/mycolyltransferase Ag85C | | Authors: | Favrot, L, Grzegorzewicz, A.E, Lajiness, D.H, Marvin, R.K, Boucau, J, Isailovic, D, Jackson, M, Ronning, D.R. | | Deposit date: | 2013-09-16 | | Release date: | 2013-11-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Mechanism of inhibition of Mycobacterium tuberculosis antigen 85 by ebselen.
Nat Commun, 4, 2013
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4MK5
 | | 6-(3-methoxyphenyl)pyridine-2,3-diol bound to influenza 2009 pH1N1 endonuclease | | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one, MANGANESE (II) ION, ... | | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | | Deposit date: | 2013-09-04 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
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4MOE
 | | Pyranose 2-oxidase H450G mutant with 3-fluorinated glucose | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-deoxy-3-fluoro-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | | Authors: | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | | Deposit date: | 2013-09-12 | | Release date: | 2014-02-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
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