7KBO
 
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7JWR
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5C8I
 | | Joint X-ray/neutron structure of Human Carbonic Anhydrase II in complex with Methazolamide | | Descriptor: | Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION | | Authors: | Aggarwal, M, Kovalevsky, A.Y, Fisher, S.Z, McKenna, R. | | Deposit date: | 2015-06-25 | | Release date: | 2016-07-20 | | Last modified: | 2024-03-06 | | Method: | NEUTRON DIFFRACTION (1.56 Å), X-RAY DIFFRACTION | | Cite: | Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug.
IUCrJ, 3, 2016
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5ZRO
 | | M. smegmatis antimutator protein MutT2 in complex with 5mdCTP | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), Putative mutator protein MutT2/NUDIX hydrolase | | Authors: | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | | Deposit date: | 2018-04-24 | | Release date: | 2019-04-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
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6N2H
 | | Structure of D-ornithine/D-lysine decarboxylase from Salmonella typhimurium | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, D-ornithine/D-lysine decarboxylase, DIMETHYL SULFOXIDE | | Authors: | Phillips, R.S, Hoover, T.R. | | Deposit date: | 2018-11-13 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal Structure of d-Ornithine/d-Lysine Decarboxylase, a Stereoinverting Decarboxylase: Implications for Substrate Specificity and Stereospecificity of Fold III Decarboxylases.
Biochemistry, 58, 2019
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5ZYC
 | | Crystal Structure of Glucose Isomerase Soaked with Mn2+ | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, MANGANESE (II) ION, ... | | Authors: | Nam, K.H. | | Deposit date: | 2018-05-24 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural analysis of substrate recognition by glucose isomerase in Mn2+binding mode at M2 site in S. rubiginosus
Biochem. Biophys. Res. Commun., 503, 2018
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5C7G
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5C87
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5WB5
 | | Leishmania IF4E-1 bound to Leishmania 4E-IP1 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Putative eukaryotic translation initiation factor eIF-4E, Uncharacterized protein | | Authors: | Leger-Abraham, M, Meleppattu, S, Arthanari, H, Zinoviev, A, Boeszoermenyi, A, Wagner, G, Shapira, M. | | Deposit date: | 2017-06-27 | | Release date: | 2018-03-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for LeishIF4E-1 modulation by an interacting protein in the human parasite Leishmania major.
Nucleic Acids Res., 46, 2018
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4OTN
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6MGG
 | | Succinyl-CoA synthase from Francisella tularensis, phosphorylated, in complex with CoA | | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, MAGNESIUM ION, ... | | Authors: | Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-09-13 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Succinyl-CoA synthase from Francisella tularensis
to be published
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6AGR
 | | Structure of HEWL co-crystallised with phenylethyl alcohol | | Descriptor: | 1,2-ETHANEDIOL, 2-PHENYL-ETHANOL, ACETATE ION, ... | | Authors: | Seyedarabi, A, Seraj, Z. | | Deposit date: | 2018-08-13 | | Release date: | 2019-08-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | The role of Cinnamaldehyde and Phenyl ethyl alcohol as two types of precipitants affecting protein hydration levels.
Int.J.Biol.Macromol., 146, 2019
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5WRJ
 | | Crystal structure of human tyrosylprotein sulfotransferase-1 complexed with PAP and gastrin peptide | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, MAGNESIUM ION, Protein-tyrosine sulfotransferase 1, ... | | Authors: | Tanaka, S, Nishiyori, T, Kojo, H, Otsubo, R, Kakuta, Y. | | Deposit date: | 2016-12-02 | | Release date: | 2017-09-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural basis for the broad substrate specificity of the human tyrosylprotein sulfotransferase-1.
Sci Rep, 7, 2017
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6MA5
 | | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 1a | | Descriptor: | Host Cell Factor 1 peptide, N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | | Deposit date: | 2018-08-25 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
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5WH6
 | | Crystal structure of PDE4D2 in complex with inhibitor (S_Zl-n-91) | | Descriptor: | 1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Ke, H, Wang, H. | | Deposit date: | 2017-07-14 | | Release date: | 2018-07-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification of a PDE4-Specific Pocket for the Design of Selective Inhibitors.
Biochemistry, 57, 2018
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5FE7
 | | Crystal structure of human PCAF bromodomain in complex with fragment ZB2216 (fragment 11) | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{H}-indazol-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-16 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
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4O6U
 | | 0.89A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (H83A mutant) | | Descriptor: | 1,2-ETHANEDIOL, HasAp, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M. | | Deposit date: | 2013-12-23 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa.
Biochemistry, 53, 2014
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2Y2B
 | | crystal structure of AmpD in complex with reaction products | | Descriptor: | 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD, 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, L-ALA-GAMMA-D-GLU-MESO-DIAMINOPIMELIC ACID, ... | | Authors: | Carrasco-Lopez, C, Rojas-Altuve, A, Zhang, W, Hesek, D, Lee, M, Barbe, S, Andre, I, Silva-Martin, N, Martinez-Ripoll, M, Mobashery, S, Hermoso, J.A. | | Deposit date: | 2010-12-14 | | Release date: | 2011-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism.
J.Biol.Chem., 286, 2011
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4QJP
 | | Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, CITRIC ACID, ... | | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | | Deposit date: | 2014-06-04 | | Release date: | 2015-04-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
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4C45
 | | Crystal structure of human pterin-4-alpha-carbinolamine dehydratase 2 (PCBD2) | | Descriptor: | 1,2-ETHANEDIOL, PTERIN-4-ALPHA-CARBINOLAMINE DEHYDRATASE 2 | | Authors: | Kopec, J, Kiyani, W, Vollmar, M, Shrestha, L, Canning, P, von Delft, F, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W.W. | | Deposit date: | 2013-08-30 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structure of Human Pterin-4-Alpha- Carbinolamine Dehydratase 2 (Pcbd2)
To be Published
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4LT4
 | | Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ARGININE, GLYCEROL, ... | | Authors: | Yamini, S, Pandey, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-07-23 | | Release date: | 2013-08-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution
To be Published
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1UF5
 | | Crystal structure of C171A/V236A Mutant of N-carbamyl-D-amino acid amidohydrolase complexed with N-carbamyl-D-methionine | | Descriptor: | 1,2-ETHANEDIOL, 4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID, N-carbamyl-D-amino acid amidohydrolase | | Authors: | Hashimoto, H, Aoki, M, Shimizu, T, Nakai, T, Morikawa, H, Ikenaka, Y, Takahashi, S, Sato, M. | | Deposit date: | 2003-05-23 | | Release date: | 2004-06-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of C171A/V236A mutant of N-carbamyl-D-amino acid amidohydrolase
To be published
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2XVG
 | | crystal structure of alpha-xylosidase (GH31) from Cellvibrio japonicus | | Descriptor: | 1,2-ETHANEDIOL, ALPHA XYLOSIDASE, CHLORIDE ION, ... | | Authors: | Larsbrink, J, Izumi, A, Ibatullin, F, Nakhai, A, Gilbert, H.J, Davies, G.J, Brumer, H. | | Deposit date: | 2010-10-26 | | Release date: | 2011-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and Enzymatic Characterisation of a Glycoside Hydrolase Family 31 Alpha-Xylosidase from Cellvibrio Japonicus Involved in Xyloglucan Saccharification.
Biochem.J., 436, 2011
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4QVK
 | | Apo-crystal structure of Podospora anserina methyltransferase PaMTH1 | | Descriptor: | 1,2-ETHANEDIOL, PaMTH1 Methyltransferase | | Authors: | Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H. | | Deposit date: | 2014-07-15 | | Release date: | 2015-05-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina.
J.Biol.Chem., 290, 2015
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4BQM
 | | Crystal structure of human liver-type glutaminase, catalytic domain | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLUTAMINASE LIVER ISOFORM, ... | | Authors: | Ferreira, I.M, Vollmar, M, Krojer, T, Strain-Damerell, C, Froese, S, Coutandin, D, Williams, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Dias, S.M.G, Ambrosio, A.L.B, Yue, W.W. | | Deposit date: | 2013-05-31 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystal Structure of Human Liver-Type Glutaminase, Catalytic Domain
To be Published
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