3V06
 
 | | Crystal structure of S-6'-Me-3'-fluoro hexitol nucleic acid | | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(F5H)P*AP*CP*GP*C)-3'), STRONTIUM ION | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2011-12-07 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Insights from crystal structures into the opposite effects on RNA affinity caused by the s- and R-6'-methyl backbone modifications of 3'-fluoro hexitol nucleic Acid.
Biochemistry, 51, 2012
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3V0I
 | | Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 256-576, E411F | | Descriptor: | SULFATE ION, Voltage-sensor containing phosphatase | | Authors: | Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L. | | Deposit date: | 2011-12-08 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A glutamate switch controls voltage-sensitive phosphatase function.
Nat.Struct.Mol.Biol., 19, 2012
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3UK0
 | | RPD_1889 protein, an extracellular ligand-binding receptor from Rhodopseudomonas palustris. | | Descriptor: | 1,2-ETHANEDIOL, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, Extracellular ligand-binding receptor, ... | | Authors: | Osipiuk, J, Mack, J, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-11-08 | | Release date: | 2011-11-23 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Proteins, 81, 2013
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1IKO
 | | CRYSTAL STRUCTURE OF THE MURINE EPHRIN-B2 ECTODOMAIN | | Descriptor: | EPHRIN-B2, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Toth, J, Cutforth, T, Gelinas, A.D, Bethoney, K.A, Bard, J, Harrison, C.J. | | Deposit date: | 2001-05-03 | | Release date: | 2002-05-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystal structure of an ephrin ectodomain.
Dev.Cell, 1, 2001
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3UK9
 | | Galactose-specific lectin from Dolichos lablab | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shetty, K.N, Latha, V.L, Rao, R.N, Nadimpalli, S.K, Suguna, K. | | Deposit date: | 2011-11-09 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Affinity of a galactose-specific legume lectin from Dolichos lablab to adenine revealed by X-ray cystallography.
Iubmb Life, 65, 2013
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3UN9
 | | Crystal structure of an immune receptor | | Descriptor: | NLR family member X1, PLATINUM (II) ION | | Authors: | Hong, M, Yoon, S.I, Wilson, I.A. | | Deposit date: | 2011-11-15 | | Release date: | 2012-03-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure and Functional Characterization of the RNA-Binding Element of the NLRX1 Innate Immune Modulator.
Immunity, 36, 2012
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3UNM
 | | Crystal Structure of The Human MDC1 FHA Domain | | Descriptor: | Mediator of DNA damage checkpoint protein 1 | | Authors: | Luo, S, Ye, K. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural mechanism of the phosphorylation-dependent dimerization of the MDC1 forkhead-associated domain
Nucleic Acids Res., 40, 2012
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6Y0H
 | | High resolution structure of GH11 xylanase from Nectria haematococca | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | Andaleeb, H, Betzel, C, Perbandt, M, Brognaro, H. | | Deposit date: | 2020-02-07 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | High-resolution crystal structure and biochemical characterization of a GH11 endoxylanase from Nectria haematococca.
Sci Rep, 10, 2020
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4WVT
 | | Crystal structure of XIAP-BIR2 domain complexed with ligand bound | | Descriptor: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Pokross, M.E. | | Deposit date: | 2014-11-07 | | Release date: | 2015-03-04 | | Last modified: | 2015-04-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
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1IDZ
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1IHD
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7YO4
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6YB7
 | | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19). | | Descriptor: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | | Deposit date: | 2020-03-16 | | Release date: | 2020-03-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | COVID-19 main protease with unliganded active site
To Be Published
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6YBK
 | | Structure of MBP-Mcl-1 in complex with compound 4d | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Dokurno, P, Surgenor, A.E, Murray, J.B. | | Deposit date: | 2020-03-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
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6Y16
 | | CRYSTAL STRUCTURE OF TMARGBP DOMAIN 1 IN COMPLEX WITH THE GUANIDINIUM ION | | Descriptor: | 1,2-ETHANEDIOL, Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, ... | | Authors: | Ruggiero, A, Balasco, N, Smaldone, G, Graziano, G, Vitagliano, L. | | Deposit date: | 2020-02-11 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Guanidinium binding to proteins: The intriguing effects on the D1 and D2 domains of Thermotoga maritima Arginine Binding Protein and a comprehensive analysis of the Protein Data Bank.
Int.J.Biol.Macromol., 163, 2020
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5E2O
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8EF8
 | | Staphylococcus aureus ClpP Y63W in complex with compound 3471 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, ATP-dependent Clp protease proteolytic subunit | | Authors: | Lee, R.E, Griffith, E.C. | | Deposit date: | 2022-09-08 | | Release date: | 2023-07-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Development of a high throughput and site specific, fluorescent polarization assay to screen for activators of Caseinolytic Protease P leads to the discovery of synthetically tractable new activator class
To Be Published
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1IYH
 | | Crystal structure of hematopoietic prostaglandin D synthase | | Descriptor: | GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, MAGNESIUM ION | | Authors: | Inoue, T. | | Deposit date: | 2002-08-26 | | Release date: | 2003-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of metal activation of human hematopoietic prostaglandin D synthase
NAT.STRUCT.BIOL., 10, 2003
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8EKT
 | | CYP51 from Acanthamoeba castellanii in complex with the tetrazole-based IND inhibitor VT-1161(VT1) | | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase | | Authors: | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | | Deposit date: | 2022-09-21 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Identification of Potent and Selective Inhibitors of Acanthamoeba : Structural Insights into Sterol 14 alpha-Demethylase as a Key Drug Target.
J.Med.Chem., 67, 2024
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6Y1C
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant D54F | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | | Deposit date: | 2020-02-11 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
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1J3M
 | | Crystal structure of the conserved hypothetical protein TT1751 from Thermus thermophilus HB8 | | Descriptor: | SULFITE ION, the conserved hypothetical protein TT1751 | | Authors: | Kishishita, S, Terada, T, Shirouzu, M, Kuramitsu, S, Park, S.-Y, Tame, R.H, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-02-05 | | Release date: | 2004-05-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a conserved hypothetical protein TT1751 from Thermus thermophilus HB8
Proteins, 57, 2004
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8F5C
 | | Mirror-image DNA containing 2'-OMe-L-dC modification | | Descriptor: | DNA (5'-D(*(0DG))-R(P*(XE6))-D(P*(0DG)P*(0DT)P*(0DA)P*(0DC)P*(0DG)P*(0DC))-3'), MAGNESIUM ION | | Authors: | Zhang, W, Dantsu, Y. | | Deposit date: | 2022-11-13 | | Release date: | 2023-09-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Synthesis and Structural Characterization of 2'-Deoxy-2'-Methoxy-L-Cytidine Nucleic Acids
Chemistryselect, 2023
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1J8A
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8ER5
 | | Crystal Structure of NlpC/P60 domain from Clostridium innocuum NlpC/P60 domain-containing protein CI_01448. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, NlpC/P60 domain-containing protein, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-10-11 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystal Structure of NlpC/P60 domain from Clostridium innocuum NlpC/P60 domain-containing protein CI_01448.
To Be Published
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6YBZ
 | | Crystal structure of the D116N mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ... | | Authors: | Kovalev, K, Gushchin, I, Gordeliy, V. | | Deposit date: | 2020-03-18 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
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