5DLW
| Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) and lysophosphatidic acid (LPA) | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, ... | Authors: | Keune, W.J, Heidebrecht, T, Joosten, R.P, Perrakis, A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling. Nat Commun, 7, 2016
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5DOH
| Crystal structure of human carbonic anhydrase isozyme II with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide | Descriptor: | 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2015-09-11 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases. ChemMedChem, 12, 2017
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5DY2
| Crystal structure of Dbr2 with mutation M27L | Descriptor: | 1,6-DIHYDROXY NAPHTHALENE, Artemisinic aldehyde Delta(11(13)) reductase, FLAVIN MONONUCLEOTIDE | Authors: | Li, L, Chen, T.T, Xu, Y.C. | Deposit date: | 2015-09-24 | Release date: | 2016-10-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | The Crystal structure of Dbr2 to be published
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4CQC
| The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, N-ISOPROPYLAMMELIDE ISOPROPYL AMIDOHYDROLASE, ... | Authors: | Balotra, S, Newman, J, French, N.G, Peat, T.S, Scott, C. | Deposit date: | 2014-02-13 | Release date: | 2015-03-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc Plos One, 1, 2015
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5E65
| The complex structure of Hemagglutinin-esterase-fusion mutant protein from the influenza D virus with receptor analog 9-O-Ac-3'SLN (Tr322) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-3)-beta-D-galactopyranose, ... | Authors: | Song, H, Qi, J, Shi, Y, Gao, G.F. | Deposit date: | 2015-10-09 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism PLoS Pathog., 12, 2016
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5E79
| Macromolecular diffractive imaging using imperfect crystals | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Ayyer, K, Yefanov, O, Oberthur, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffer, A, Dorner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N. | Deposit date: | 2015-10-12 | Release date: | 2017-02-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Macromolecular diffractive imaging using imperfect crystals. Nature, 530, 2016
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5E9R
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5E1Q
| Mutant (D415G) GH97 alpha-galactosidase in complex with Gal-Lac | Descriptor: | CALCIUM ION, GLYCEROL, Retaining alpha-galactosidase, ... | Authors: | Matsunaga, K, Yamashita, K, Tagami, T, Yao, M, Okuyama, M, Kimura, A. | Deposit date: | 2015-09-30 | Release date: | 2016-10-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.943 Å) | Cite: | Efficient synthesis of alpha-galactosyl oligosaccharides using a mutant Bacteroides thetaiotaomicron retaining alpha-galactosidase (BtGH97b). FEBS J., 284, 2017
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5E2T
| Crystal structure of anti-TAU antibody AT8 FAB | Descriptor: | AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, CALCIUM ION | Authors: | Malia, T, Teplyakov, A. | Deposit date: | 2015-10-01 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8. Proteins, 84, 2016
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5E62
| HEF-mut with Tr323 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-azidoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, ... | Authors: | Song, H, Qi, J, Shi, Y, Gao, G.F. | Deposit date: | 2015-10-09 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism PLoS Pathog., 12, 2016
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5E2V
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4M28
| UDP-Glucose Pyrophosphorylase from Leishmania major in complex with UTP analog dUpCpp | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine, UDP-glucose pyrophosphorylase | Authors: | Fuehring, J.I, Routier, F.H, Lamerz, A.-C, Baruch, P, Gerardy-Schahn, R, Fedorov, R. | Deposit date: | 2013-08-05 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Catalytic mechanism and allosteric regulation of UDP-glucose pyrophosphorylase from Leishmania major ACS CATALYSIS, 3, 2013
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5WHL
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5WIY
| Kelch domain of human Keap1 bound to small molecule inhibitor fragment: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione | Descriptor: | 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | Deposit date: | 2017-07-20 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry, 59, 2020
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4OAZ
| BldD CTD-c-di-GMP complex | 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), Putative DNA-binding protein | Authors: | Schumacher, M.A, Tschowri, N, Buttner, M, Brennan, R.G. | Deposit date: | 2014-01-06 | Release date: | 2014-11-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Tetrameric c-di-GMP mediates effective transcription factor dimerization to control Streptomyces development. Cell(Cambridge,Mass.), 158, 2014
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4OT2
| Crystal Structure of Equine Serum Albumin in complex with Naproxen | Descriptor: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, ACETATE ION, MALONATE ION, ... | Authors: | Sekula, B, Bujacz, A, Zielinski, K, Bujacz, G. | Deposit date: | 2014-02-13 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural studies of bovine, equine, and leporine serum albumin complexes with naproxen. Proteins, 82, 2014
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5WSP
| Crystal structure of DNA3 duplex | Descriptor: | DNA (5'-D(*GP*GP*TP*CP*GP*TP*CP*C)-3'), STRONTIUM ION | Authors: | Gan, J.H, Liu, H.H. | Deposit date: | 2016-12-08 | Release date: | 2017-02-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.502 Å) | Cite: | Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex Nucleic Acids Res., 45, 2017
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5WSR
| Crystal structure of T-Hg-T pair containing DNA duplex | Descriptor: | DNA (5'-D(*GP*GP*TP*CP*GP*TP*CP*C)-3'), MERCURY (II) ION | Authors: | Gan, J.H, Liu, H.H. | Deposit date: | 2016-12-08 | Release date: | 2017-02-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex Nucleic Acids Res., 45, 2017
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4CQD
| The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MALONATE ION, ... | Authors: | Balotra, S, Newman, J, French, N.G, Peat, T.S, Scott, C. | Deposit date: | 2014-02-13 | Release date: | 2015-03-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc Plos One, 1, 2015
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4D78
| Cytochrome P450 3A4 bound to an inhibitor | Descriptor: | CYTOCHROME P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sevrioukova, I, Poulos, T. | Deposit date: | 2014-11-21 | Release date: | 2015-09-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model. J.Med.Chem., 59, 2016
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4MSP
| Crystal structure of human peptidyl-prolyl cis-trans isomerase FKBP22 (aka FKBP14) containing two EF-hand motifs | Descriptor: | CALCIUM ION, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase FKBP14, ... | Authors: | Boudko, S.P, Ishikawa, Y, Bachinger, H.P. | Deposit date: | 2013-09-18 | Release date: | 2013-12-25 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of human peptidyl-prolyl cis-trans isomerase FKBP22 containing two EF-hand motifs. Protein Sci., 23, 2014
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4MVL
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4N0F
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4OJ0
| mCardinal V218E | Descriptor: | Fluorescent protein FP480 | Authors: | Ataie, N, Ng, H. | Deposit date: | 2014-01-20 | Release date: | 2014-03-19 | Last modified: | 2014-05-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Non-invasive intravital imaging of cellular differentiation with a bright red-excitable fluorescent protein. Nat.Methods, 11, 2014
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4MT6
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