6HRX
 
 | | EthR2 in complex with compound 2 (BDM72201) | | Descriptor: | 8-propan-2-ylsulfanyl-7~{H}-purin-6-amine, Probable transcriptional regulatory protein | | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | | Deposit date: | 2018-09-28 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
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8TKP
 | | Structure of the C. elegans TMC-2 complex | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Clark, S, Jeong, H, Goehring, A, Posert, R, Gouaux, E. | | Deposit date: | 2023-07-25 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The structure of the Caenorhabditis elegans TMC-2 complex suggests roles of lipid-mediated subunit contacts in mechanosensory transduction.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6THV
 | | X-ray structure of the Danio rerio histone deacetylase 6 (HDAC6; catalytic domain 2) in complex with Tubastatin A | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Barinka, C, Motlova, L, Svoboda, M. | | Deposit date: | 2019-11-21 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural and in Vivo Characterization of Tubastatin A, a Widely Used Histone Deacetylase 6 Inhibitor.
Acs Med.Chem.Lett., 11, 2020
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7LUK
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692) IN COMPLEX WITH AN AZATRICYCLIC RORGT INVERSE AGONIST | | Descriptor: | (2S)-N-[(6aS,7R,9aS)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide, Nuclear receptor ROR-gamma | | Authors: | Sack, J.S. | | Deposit date: | 2021-02-22 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.087 Å) | | Cite: | Azatricyclic Inverse Agonists of ROR gamma t That Demonstrate Efficacy in Models of Rheumatoid Arthritis and Psoriasis.
Acs Med.Chem.Lett., 12, 2021
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5GZO
 | | Structure of neutralizing antibody bound to Zika envelope protein | | Descriptor: | Antibody heavy chain, Antibody light chain, Genome polyprotein | | Authors: | Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F. | | Deposit date: | 2016-09-29 | | Release date: | 2017-01-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.755 Å) | | Cite: | Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
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6KHO
 | | Crystal structure of Oryza sativa TDC with PLP | | Descriptor: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | | Deposit date: | 2019-07-16 | | Release date: | 2020-07-15 | | Method: | X-RAY DIFFRACTION (1.972 Å) | | Cite: | Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
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3ZX8
 | | Cryo-EM reconstruction of native and expanded Turnip Crinkle virus | | Descriptor: | CAPSID PROTEIN | | Authors: | Bakker, S.E, Robottom, J, Hogle, J.M, Maeda, A, Pearson, A.R, Stockley, P.G, Ranson, N.A, Harrison, S.C. | | Deposit date: | 2011-08-08 | | Release date: | 2012-07-18 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (11.5 Å) | | Cite: | Isolation of an Asymmetric RNA Uncoating Intermediate for a Single-Stranded RNA Plant Virus.
J.Mol.Biol., 417, 2012
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3ZX9
 | | Cryo-EM reconstruction of native and expanded Turnip Crinkle virus | | Descriptor: | CAPSID PROTEIN | | Authors: | Bakker, S.E, Robottom, J, Pearson, A.R, Stockley, P.G, Ranson, N.A. | | Deposit date: | 2011-08-08 | | Release date: | 2012-07-18 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (17 Å) | | Cite: | Isolation of an Asymmetric RNA Uncoating Intermediate for a Single-Stranded RNA Plant Virus.
J.Mol.Biol., 417, 2012
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1Q6L
 | | Structure of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate | | Descriptor: | 3-keto-L-gulonate 6-phosphate decarboxylase, L-THREONOHYDROXAMATE 4-PHOSPHATE, MAGNESIUM ION | | Authors: | Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I. | | Deposit date: | 2003-08-13 | | Release date: | 2003-10-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Evidence for a 1,2-Enediolate Intermediate in the Reaction Catalyzed by 3-Keto-l-Gulonate 6-Phosphate Decarboxylase, a Member of the Orotidine 5'-Monophosphate Decarboxylase Suprafamily
Biochemistry, 42, 2003
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7CCR
 | | Structure of the 2:2 cGAS-nucleosome complex | | Descriptor: | Cyclic GMP-AMP synthase, DNA (147-MER), Histone H2A type 1-B/E, ... | | Authors: | Cao, D, Han, X, Fan, X, Xu, R.M, Zhang, X. | | Deposit date: | 2020-06-17 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Structural basis for nucleosome-mediated inhibition of cGAS activity.
Cell Res., 30, 2020
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3K6T
 | | Crystal structure of the GLD-1 homodimerization domain from Caenorhabditis elegans at 2.04 A resolution | | Descriptor: | Female germline-specific tumor suppressor gld-1 | | Authors: | Beuck, C, Szymczyna, B.R, Kerkow, D.E, Carmel, A.B, Columbus, L, Stanfield, R.L, Williamson, J.R. | | Deposit date: | 2009-10-09 | | Release date: | 2010-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure of the GLD-1 homodimerization domain: insights into STAR protein-mediated translational regulation.
Structure, 18, 2010
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7CCQ
 | | Structure of the 1:1 cGAS-nucleosome complex | | Descriptor: | Cyclic GMP-AMP synthase, DNA (147-MER), Histone H2A type 1-B/E, ... | | Authors: | Cao, D, Han, X, Fan, X, Xu, R.M, Zhang, X. | | Deposit date: | 2020-06-17 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for nucleosome-mediated inhibition of cGAS activity.
Cell Res., 30, 2020
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8E2K
 | | Cryo-EM structure of BIRC6/HtrA2-S306A | | Descriptor: | Baculoviral IAP repeat-containing protein 6, Serine protease HTRA2, mitochondrial | | Authors: | Hunkeler, M, Fischer, E.S. | | Deposit date: | 2022-08-15 | | Release date: | 2023-02-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structures of BIRC6-client complexes provide a mechanism of SMAC-mediated release of caspases.
Science, 379, 2023
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6MFE
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000773 (Compound 11g) Complex | | Descriptor: | (2-nitro-4-{[(3S)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein | | Authors: | Taylor, A.B. | | Deposit date: | 2018-09-10 | | Release date: | 2018-10-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.444 Å) | | Cite: | Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.
ACS Med Chem Lett, 9, 2018
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3KBL
 | | Crystal structure of the GLD-1 homodimerization domain from Caenorhabditis elegans N169A mutant at 2.28 A resolution | | Descriptor: | Female germline-specific tumor suppressor gld-1 | | Authors: | Beuck, C, Szymczyna, B.R, Kerkow, D.E, Carmel, A.B, Columbus, L, Stanfield, R.L, Williamson, J.R. | | Deposit date: | 2009-10-20 | | Release date: | 2010-03-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure of the GLD-1 homodimerization domain: insights into STAR protein-mediated translational regulation.
Structure, 18, 2010
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6ZMD
 | | Crystal structure of HYPE covalently tethered to BiP bound to AMP-PNP | | Descriptor: | Endoplasmic reticulum chaperone BiP, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Fauser, J, Gulen, B, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V. | | Deposit date: | 2020-07-02 | | Release date: | 2021-04-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Specificity of AMPylation of the human chaperone BiP is mediated by TPR motifs of FICD.
Nat Commun, 12, 2021
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1QWU
 | | Golgi alpha-mannosidase II D341N mutant complex with 5-F-guloside | | Descriptor: | (2R,3S,4R,5S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Numao, S, Kuntz, D.A, Withers, S.G, Rose, D.R. | | Deposit date: | 2003-09-03 | | Release date: | 2003-10-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Insights into the mechanism of Drosophila melanogaster Golgi alpha-mannosidase II through the structural analysis of covalent reaction intermediates.
J.Biol.Chem., 278, 2003
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7MEX
 | | Structure of yeast Ubr1 in complex with Ubc2 and N-degron | | Descriptor: | E3 ubiquitin-protein ligase UBR1, N-degron, Ubiquitin, ... | | Authors: | Pan, M, Zheng, Q, Wang, T, Liang, L, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2021-04-08 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structural insights into Ubr1-mediated N-degron polyubiquitination.
Nature, 600, 2021
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1QX1
 | | Golgi alpha-mannosidase II D341N mutant complex with 2-F-mannosyl-F | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride, ... | | Authors: | Numao, S, Kuntz, D.A, Withers, S.G, Rose, D.R. | | Deposit date: | 2003-09-04 | | Release date: | 2003-10-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Insights into the mechanism of Drosophila melanogaster Golgi alpha-mannosidase II through the structural analysis of covalent reaction intermediates.
J.Biol.Chem., 278, 2003
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4YMJ
 | | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | | Descriptor: | 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ... | | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | | Deposit date: | 2015-03-06 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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2A49
 | | Crystal structure of clavulanic acid bound to E166A variant of SHV-1 beta-lactamase | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ... | | Authors: | Padayatti, P.S, Helfand, M.S, Totir, M.A, Carey, M.P, Carey, P.R, Bonomo, R.A, van den Akker, F. | | Deposit date: | 2005-06-28 | | Release date: | 2005-08-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | High Resolution Crystal Structures of the trans-Enamine Intermediates Formed by Sulbactam and Clavulanic Acid and E166A SHV-1 {beta}-Lactamase.
J.Biol.Chem., 280, 2005
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1HJK
 | | ALKALINE PHOSPHATASE MUTANT H331Q | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Murphy, J.E, Stec, B, Ma, L, Kantrowitz, E.R. | | Deposit date: | 1997-05-30 | | Release date: | 1997-10-15 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Trapping and visualization of a covalent enzyme-phosphate intermediate.
Nat.Struct.Biol., 4, 1997
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5QII
 | | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(3-(1-(4-CHLOROPHENYL)CYCLOPROPYL) -[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL)PROPAN-2-OL | | Descriptor: | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Sheriff, S. | | Deposit date: | 2018-07-03 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 9, 2018
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6MR5
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2AGS
 | | Trypanosoma rangeli Sialidase in Complex with 2-Keto-3-deoxy-D-glycero-D-galacto-2,3-difluoro-nononic acid (2,3-difluoro-KDN) | | Descriptor: | 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, SULFATE ION, sialidase | | Authors: | Amaya, M.F, Alzari, P.M, Buschiazzo, A. | | Deposit date: | 2005-07-27 | | Release date: | 2005-11-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Kinetic Analysis of Two Covalent Sialosyl-Enzyme Intermediates on Trypanosoma rangeli Sialidase.
J.Biol.Chem., 281, 2006
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