4ZOF
 
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6ADG
 | | Crystal Structures of IDH1 R132H in complex with AG-881 | | Descriptor: | 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, ... | | Authors: | Ma, R, Yun, C.H. | | Deposit date: | 2018-08-01 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of pan-IDH inhibitor AG-881 in complex with mutant human IDH1 and IDH2
Biochem. Biophys. Res. Commun., 503, 2018
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4ZOJ
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5ZSG
 | | Crystal structure of monkey TLR7 in complex with gardiquimod | | Descriptor: | 1-{4-amino-2-[(ethylamino)methyl]-1H-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | | Deposit date: | 2018-04-28 | | Release date: | 2019-01-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
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4ZES
 | | Blood dendritic cell antigen 2 (BDCA-2) complexed with methyl-mannoside | | Descriptor: | C-type lectin domain family 4 member C, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Jegouzo, S.A.F, Feinberg, H, Dungarwalla, T, Drickamer, K, Weis, W.I, Taylor, M.E. | | Deposit date: | 2015-04-20 | | Release date: | 2015-05-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | A Novel Mechanism for Binding of Galactose-terminated Glycans by the C-type Carbohydrate Recognition Domain in Blood Dendritic Cell Antigen 2.
J.Biol.Chem., 290, 2015
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4ZG3
 | | In-vacuum long-wavelength crystallography | | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, SODIUM ION, ... | | Authors: | Wagner, A, Duman, R, Henderson, K, Mykhaylyk, V. | | Deposit date: | 2015-04-22 | | Release date: | 2016-03-09 | | Last modified: | 2016-03-23 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | In-vacuum long-wavelength macromolecular crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
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5ZWK
 | | Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with fructose-1,6-bisphophate and AMP | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | | Authors: | Yunyuan, H, Zeyuan, G, Junjie, Y, Ping, Y, Jian, W. | | Deposit date: | 2018-05-15 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Location of FBPase catalytic metal binding site: a combined experimental and theoretical study
To Be Published
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5ZSJ
 | | Crystal structure of monkey TLR7 in complex with GS9620 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-azanyl-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one, ... | | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | | Deposit date: | 2018-04-28 | | Release date: | 2019-01-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
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4ZGV
 | | The Crystal Structure of the Ferredoxin Receptor FusA from Pectobacterium atrosepticum SCRI1043 | | Descriptor: | Ferredoxin receptor, LAURYL DIMETHYLAMINE-N-OXIDE, octyl beta-D-glucopyranoside | | Authors: | Grinter, R, Josts, I, Roszak, A.W, Cogdell, R.J, Walker, D. | | Deposit date: | 2015-04-24 | | Release date: | 2016-08-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of the bacterial plant-ferredoxin receptor FusA.
Nat Commun, 7, 2016
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4ZHX
 | | Novel binding site for allosteric activation of AMPK | | Descriptor: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-2, ... | | Authors: | Langendorf, C.G, Ngoei, K.R, Issa, S.M.A, Ling, N, Gorman, M.A, Parker, M.W, Sakamoto, K, Scott, J.W, Oakhill, J.S, Kemp, B.E. | | Deposit date: | 2015-04-27 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding.
Nat Commun, 7, 2016
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4ZJ7
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4Z8N
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5WXJ
 | | Apo EarP | | Descriptor: | BETA-MERCAPTOETHANOL, EarP, GLYCEROL, ... | | Authors: | Sengoku, T, Yokoyama, S, Yanagisawa, T. | | Deposit date: | 2017-01-07 | | Release date: | 2018-02-28 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis of protein arginine rhamnosylation by glycosyltransferase EarP
Nat. Chem. Biol., 14, 2018
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4ZK3
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4Z91
 | | ELIC cocrystallized with isofluorane in a desensitized state | | Descriptor: | (2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane, 1.7.6 3-bromanylpropan-1-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Chen, Q, Kinde, M.N, Arjunan, P, Cohen, A, Xu, Y, Tang, P. | | Deposit date: | 2015-04-09 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3915 Å) | | Cite: | Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC.
Sci Rep, 5, 2015
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4ZKK
 | | The novel double-fold structure of d(GCATGCATGC) | | Descriptor: | COBALT (II) ION, DNA (5'-D(*GP*CP*AP*TP*GP*CP*AP*TP*GP*C)-3') | | Authors: | Thirugnanasambandam, A, Karthik, S, Mandal, P.K, Gautham, N. | | Deposit date: | 2015-04-30 | | Release date: | 2015-10-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | The novel double-folded structure of d(GCATGCATGC): a possible model for triplet-repeat sequences
Acta Crystallogr.,Sect.D, 71, 2015
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5WZM
 | | Crystal structure of human secreted phospholipase A2 group IIE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | | Deposit date: | 2017-01-18 | | Release date: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
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5WZS
 | | Crystal structure of human secreted phospholipase A2 group IIE with Compound 8 | | Descriptor: | 2-[2-methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | | Deposit date: | 2017-01-18 | | Release date: | 2018-01-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
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4ZDF
 | | Crystal structure of yeast enoyl-CoA isomerase helix-10 deletion (ScECI2-H10) mutant | | Descriptor: | 3,2-trans-enoyl-CoA isomerase, GLYCEROL | | Authors: | Onwukwe, G.U, Koski, M.K, Wierenga, R.K. | | Deposit date: | 2015-04-17 | | Release date: | 2015-11-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structures of yeast peroxisomal Delta (3), Delta (2)-enoyl-CoA isomerase complexed with acyl-CoA substrate analogues: the importance of hydrogen-bond networks for the reactivity of the catalytic base and the oxyanion hole.
Acta Crystallogr.,Sect.D, 71, 2015
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4ZNY
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4ZDY
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F 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: | Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2015-04-20 | | Release date: | 2016-03-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
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5X1L
 | | Vanillate/3-O-methylgallate O-demethylase, LigM, tetrahydrofolate complex form | | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, Vanillate/3-O-methylgallate O-demethylase | | Authors: | Harada, A, Senda, T. | | Deposit date: | 2017-01-26 | | Release date: | 2017-05-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6
FEBS J., 284, 2017
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4ZPS
 | | Crystal Structure of Protocadherin Gamma A8 EC1-3 | | Descriptor: | CALCIUM ION, MCG133388, isoform CRA_m, ... | | Authors: | Goodman, K.M, Mannepalli, S, Shapiro, L. | | Deposit date: | 2015-05-08 | | Release date: | 2015-10-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions.
Cell, 163, 2015
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5X1Y
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4ZPY
 | | Structure of N170A MVM mutant empty capsid | | Descriptor: | VP1 protein | | Authors: | Guerra, P, Querol-Audi, J, Silva, C, Mateu, M.G, Verdaguer, N. | | Deposit date: | 2015-05-08 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural basis for biologically relevant mechanical stiffening of a virus capsid by cavity-creating or spacefilling mutations.
Sci Rep, 7, 2017
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