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6SLW
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BU of 6slw by Molmil
Fragment AZ-004 binding at the TAZpS89/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, WW domain-containing transcription regulator protein 1
Authors:Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P.
Deposit date:2019-08-20
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6UE3
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BU of 6ue3 by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with PC (JZ01-15)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NS3 protease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2019-09-20
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
6UDB
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BU of 6udb by Molmil
Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions
Descriptor: DI(HYDROXYETHYL)ETHER, Streptavidin
Authors:Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K.
Deposit date:2019-09-19
Release date:2020-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid.
Biochemistry, 60, 2021
5YFV
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BU of 5yfv by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase mutant C135S from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate and AMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ...
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-22
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
6TRJ
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BU of 6trj by Molmil
LEDGF/p75 IBD dimer
Descriptor: PC4 and SFRS1-interacting protein
Authors:Kugler, M, Brynda, J.
Deposit date:2019-12-19
Release date:2020-09-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fine-tuning of the LEDGF/p75 interaction network by dimerization
Structure
5YFW
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BU of 5yfw by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate and AMP
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ...
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-22
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
5YGA
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BU of 5yga by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate, AMP and GMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ...
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-22
Release date:2018-02-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
5YG6
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BU of 5yg6 by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase mutant C135S from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate and GMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-22
Release date:2018-02-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
6SGV
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BU of 6sgv by Molmil
Crystal structure of AcAChBP in complex with hosieine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hosieine, ...
Authors:Hunter, W.N, Dawson, A, Parker, H.
Deposit date:2019-08-05
Release date:2020-08-26
Last modified:2022-09-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Delineating the activity of the potent nicotinic acetylcholine receptor agonists (+)-anatoxin-a and (-)-hosieine-A
Acta Crystallogr.,Sect.F, 2022
5YG7
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BU of 5yg7 by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate and GMP
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-22
Release date:2018-02-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
5YFS
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BU of 5yfs by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase mutant C135S from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, CHLORIDE ION, ...
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-22
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
6US2
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BU of 6us2 by Molmil
MTH1 in complex with compound 5
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
Authors:Newby, Z.E.R, Lansdon, E.B.
Deposit date:2019-10-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.80012655 Å)
Cite:Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
6UUX
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BU of 6uux by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase/Hycanthone Complex
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, hycanthone
Authors:Taylor, A.B.
Deposit date:2019-11-01
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis for hycanthone drug action in schistosome parasites.
Mol.Biochem.Parasitol., 236, 2020
6UWK
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BU of 6uwk by Molmil
Engineered variant of I-OnuI meganuclease with improved stability and fully altered specificity targeting human chromosome 11 trans integration site
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (27-MER), ...
Authors:Werther, R, Stoddard, B.L.
Deposit date:2019-11-05
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.533 Å)
Cite:Optimization of Protein Thermostability and Exploitation of Recognition Behavior to Engineer Altered Protein-DNA Recognition.
Structure, 28, 2020
6UTM
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BU of 6utm by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
Descriptor: GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, SN-GLYCEROL-3-PHOSPHATE, ...
Authors:Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
Deposit date:2019-10-29
Release date:2019-12-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6UOE
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BU of 6uoe by Molmil
3-25 Fab germline-reversion variant bound to an HCMV gB-derived peptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-25 Fab heavy chain, 3-25 Fab light chain, ...
Authors:Wrapp, D, McLellan, J.S.
Deposit date:2019-10-14
Release date:2020-07-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of a highly conserved glycoprotein B epitope by a bivalent antibody neutralizing HCMV at a post-attachment step.
Plos Pathog., 16, 2020
6US4
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BU of 6us4 by Molmil
MTH1 in complex with compound 32
Descriptor: 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase
Authors:Newby, Z.E.R, Lansdon, E.B.
Deposit date:2019-10-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95032907 Å)
Cite:Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
5OX3
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BU of 5ox3 by Molmil
Glycogen Phosphorylase in complex with SzB102v
Descriptor: (1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2017-09-05
Release date:2018-02-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
5YFX
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BU of 5yfx by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate and AMP
Descriptor: 1,5-di-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, Ribose 1,5-bisphosphate isomerase
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-22
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
2AD1
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BU of 2ad1 by Molmil
Human Sulfotransferase SULT1C2
Descriptor: Sulfotransferase 1C2
Authors:Dong, A, Dombrovski, L, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2005-07-19
Release date:2005-08-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and chemical profiling of the human cytosolic sulfotransferases.
Plos Biol., 5, 2007
5YFJ
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BU of 5yfj by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase from Pyrococcus horikoshii OT3 in complex with ribulose-1,5-bisphosphate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-21
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
5D1J
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BU of 5d1j by Molmil
CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2-WT) COMPLEX WITH N-[5-[[[5-(1,1-DIMETHYLETHYL)-2-OXAZOLYL] METHYL]THIO]-2-THIAZOLYL]-4-PIPERIDINECARBOXAMIDE (BMS-387032)
Descriptor: Cyclin-dependent kinase 2, N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide
Authors:Sack, J.S.
Deposit date:2015-08-04
Release date:2015-08-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:N-(Cycloalkylamino)Acyl-2-Aminothiazole Inhibitors Of Cyclin-Dependent Kinase 2. N-[5-[[[5-(1,1-Dimethylethyl) -2-Oxazolyl]Methyl]Thio]-2-Thiazolyl]-4-Piperidinecarboxamide (Bms-387032), A Highly Efficacious And Selective Antitumor Agent
J.Med.Chem., 47, 2004
6T37
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BU of 6t37 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ...
Authors:Alphey, M.S, Xiao, G, Westwood, J.N.
Deposit date:2019-10-10
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.079 Å)
Cite:Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
5YG5
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BU of 5yg5 by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase from Pyrococcus horikoshii OT3 in complex with ribulose-1,5-bisphosphate and GMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-22
Release date:2018-02-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
5OX1
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BU of 5ox1 by Molmil
Glycogen Phosphorylase in complex with JLH270
Descriptor: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
Authors:Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2017-09-05
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018

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數據於2024-09-25公開中

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