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PDB: 34735 results

6TX4
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CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PYRIDONE
Descriptor: 1~{H}-pyridin-2-one, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
4Q3V
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BU of 4q3v by Molmil
Crystal structure of Schistosoma mansoni arginase in complex with inhibitor BEC
Descriptor: Arginase, GLYCEROL, MANGANESE (II) ION, ...
Authors:Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W.
Deposit date:2014-04-12
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
3IS9
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BU of 3is9 by Molmil
Crystal structure of the HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate).
Descriptor: Reverse transcriptase, Reverse transcriptase/ribonuclease H, dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate)
Authors:Ho, W.C, Bauman, J.D, Das, K, Arnold, E.
Deposit date:2009-08-25
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystallographic study of a novel subnanomolar inhibitor provides insight on the binding interactions of alkenyldiarylmethanes with human immunodeficiency virus-1 reverse transcriptase.
J.Med.Chem., 52, 2009
6JLU
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BU of 6jlu by Molmil
Structure of PSII-FCP supercomplex from a centric diatom Chaetoceros gracilis at 3.02 angstrom resolution
Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:Pi, X, Zhao, S, Wang, W, Kuang, T, Sui, S, Shen, J.
Deposit date:2019-03-06
Release date:2019-07-31
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:The pigment-protein network of a diatom photosystem II-light-harvesting antenna supercomplex.
Science, 365, 2019
3IJ0
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Crystal structure of Eed in complex with a trimethylated histone H3K9 peptide
Descriptor: Histone H3K9 peptide, Polycomb protein EED
Authors:Justin, N, Sharpe, M.L, Martin, S, Taylor, W.R, De Marco, V, Gamblin, S.J.
Deposit date:2009-08-03
Release date:2009-09-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Role of the polycomb protein EED in the propagation of repressive histone marks.
Nature, 461, 2009
3IJC
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BU of 3ijc by Molmil
Crystal structure of Eed in complex with NDSB-195
Descriptor: ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, Polycomb protein EED
Authors:Justin, N, Sharpe, M.L, Martin, S, Taylor, W.R, De Marco, V, Gamblin, S.J.
Deposit date:2009-08-04
Release date:2009-09-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Role of the polycomb protein EED in the propagation of repressive histone marks.
Nature, 461, 2009
4LKI
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BU of 4lki by Molmil
The structure of hemagglutinin L226Q mutant from a avian-origin H7N9 influenza virus (A/Anhui/1/2013)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin
Authors:Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
Deposit date:2013-07-07
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
7TXT
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BU of 7txt by Molmil
Structure of human serotonin transporter bound to small molecule '8090 in lipid nanodisc and NaCl
Descriptor: 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine, 15B8 Fab heavy chain, 15B8 Fab light chain, ...
Authors:Singh, I, Seth, A, Billesboelle, C.B, Braz, J, Rodriguiz, R.M, Roy, K, Bekele, B, Craik, V, Huang, X.P, Boytsov, D, Lak, P, O'Donnell, H, Sandtner, W, Roth, B.L, Basbaum, A.I, Wetsel, W.C, Manglik, A, Shoichet, B.K, Rudnick, G.
Deposit date:2022-02-09
Release date:2023-03-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based discovery of conformationally selective inhibitors of the serotonin transporter.
Cell, 186, 2023
6U4Z
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Crystal Structure of a family 76 glycoside hydrolase from a bovine Bacteroides thetaiotaomicron strain
Descriptor: 1,2-ETHANEDIOL, Alpha-1,6-mannanase, HEXAETHYLENE GLYCOL
Authors:Jones, D.R, Abbott, D.W.
Deposit date:2019-08-26
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Analysis of Active Site Architecture and Reaction Product Linkage Chemistry Reveals a Conserved Cleavage Substrate for an Endo-alpha-mannanase within Diverse Yeast Mannans.
J.Mol.Biol., 432, 2020
7TTD
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BU of 7ttd by Molmil
Tubulin-RB3_SLD in complex with compound 12e
Descriptor: 7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:White, S.W, Yun, M.
Deposit date:2022-02-01
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
1L97
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BU of 1l97 by Molmil
STRUCTURE OF A HINGE-BENDING BACTERIOPHAGE T4 LYSOZYME MUTANT, ILE3-> PRO
Descriptor: T4 LYSOZYME
Authors:Dixon, M, Shewchuk, L, Matthews, B.W.
Deposit date:1992-02-11
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a hinge-bending bacteriophage T4 lysozyme mutant, Ile3-->Pro.
J.Mol.Biol., 227, 1992
7TTE
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BU of 7tte by Molmil
Tubulin-RB3_SLD in complex with compound 12j
Descriptor: 4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:White, S.W, Yun, M.
Deposit date:2022-02-01
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
6U7Z
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BU of 6u7z by Molmil
RNA hairpin structure containing one TNA nucleotide as primer
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, RNA (5'-R(*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3'), RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*GP*CP*CP*GP*AP*AP*AP*GP*(TG))-3')
Authors:Szostak, J.W, Zhang, W.
Deposit date:2019-09-03
Release date:2020-12-09
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization.
Nucleic Acids Res., 49, 2021
3IUF
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BU of 3iuf by Molmil
Crystal structure of the C2H2-type zinc finger domain of human ubi-d4
Descriptor: ZINC ION, Zinc finger protein ubi-d4
Authors:Tempel, W, Xu, C, Bian, C, Adams-Cioaba, M, Eryilmaz, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-08-31
Release date:2009-11-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the Cys2His2-type zinc finger domain of human DPF2.
Biochem.Biophys.Res.Commun., 413, 2011
3IUX
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BU of 3iux by Molmil
Crystal structure of human MDM2 in complex with a potent miniature protein inhibitor (18-residues)
Descriptor: ACETATE ION, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, ...
Authors:Pazgier, M, Lu, W.
Deposit date:2009-08-31
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Apamin as a template for structure-based rational design of potent peptide activators of p53.
Angew.Chem.Int.Ed.Engl., 48, 2009
7TXX
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BU of 7txx by Molmil
Solution structure for Bartonella henselae BamE, a component of the beta-barrel assembly machinery complex. Seattle Structural Genomics Center for Infectious Disease target BaheA.17605.a
Descriptor: BA5
Authors:Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-02-10
Release date:2022-03-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural characterization of Bartonella henselae BamE, a component of the beta-barrel assembly machinery complex
To Be Published
2J9D
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BU of 2j9d by Molmil
Structure of GlnK1 with bound effectors indicates regulatory mechanism for ammonia uptake
Descriptor: ACETATE ION, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Yildiz, O, Kalthoff, C, Raunser, S, Kuehlbrandt, W.
Deposit date:2006-11-07
Release date:2007-01-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Glnk1 with Bound Effectors Indicates Regulatory Mechanism for Ammonia Uptake.
Embo J., 26, 2007
5FTY
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BU of 5fty by Molmil
Structure of surface layer protein SbsC, domains 6-7 (monoclinic form)
Descriptor: CALCIUM ION, SURFACE LAYER PROTEIN
Authors:Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W.
Deposit date:2016-01-18
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Surface Layer Protein Sbsc, Domains 6-7 (Monoclinic Form)
To be Published
7KQN
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BU of 7kqn by Molmil
Ternary complex of TERT (telomerase reverse transcriptase) with RNA template, DNA primer, an incoming dGTP and a downstream hybrid duplex
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Choi, W.S, Weng, P.J, Yang, W.
Deposit date:2020-11-17
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Flexibility of telomerase in binding the RNA template and DNA telomeric repeat.
Proc.Natl.Acad.Sci.USA, 119, 2022
7U5V
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BU of 7u5v by Molmil
Crystal structure of the Mixed Lineage Leukaemia (MLL1) SET Domain with the cofactor product S-Adenosylhomocysteine and Borealin peptide
Descriptor: Borealin, Histone-lysine N-methyltransferase 2A, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:An, S, Cho, U.S, Oh, H, Sha, L, Xu, J, Kim, S, Yang, W, An, W, Dou, Y.
Deposit date:2022-03-02
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Non-canonical MLL1 activity regulates centromeric phase separation and genome stability.
Nat.Cell Biol., 25, 2023
7XK8
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BU of 7xk8 by Molmil
Cryo-EM structure of the Neuromedin U receptor 2 (NMUR2) in complex with G Protein and its endogeneous Peptide-Agonist NMU25
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Zhao, W, Wenru, Z, Mu, W, Minmin, L, Shutian, C, Tingting, T, Gisela, S, Holger, W, Albert, B, Cuiying, Y, Xiaojing, C, Han, S, Wu, B, Zhao, Q.
Deposit date:2022-04-19
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Ligand recognition and activation of neuromedin U receptor 2.
Nat Commun, 13, 2022
3SZ5
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BU of 3sz5 by Molmil
Crystal Structure of LHK-Exo in complex with 5-phosphorylated oligothymidine (dT)4
Descriptor: 5'-D(P*TP*TP*TP*T)-3', Exonuclease, MAGNESIUM ION
Authors:Yang, W, Chen, W.Y, Wang, H, Zhang, Q, Zhou, W, Bartlam, M, Watt, R.M, Rao, Z.
Deposit date:2011-07-18
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional insight into the mechanism of an alkaline exonuclease from Laribacter hongkongensis.
Nucleic Acids Res., 39, 2011
7UYS
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BU of 7uys by Molmil
Crystal structure of TYK2 kinase domain in complex with compound 16
Descriptor: 2-(2,6-difluorophenyl)-4-(4-methoxyanilino)-5H-pyrrolo[3,4-d]pyrimidin-5-one, Non-receptor tyrosine-protein kinase TYK2
Authors:Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E.
Deposit date:2022-05-07
Release date:2022-08-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
7CF6
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BU of 7cf6 by Molmil
Crystal structure of Beta-aspartyl dipeptidase from thermophilic keratin degrading Fervidobacterium islandicum AW-1 in complex with beta-Asp-Leu dipeptide
Descriptor: (2S)-2-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Dhanasingh, I, La, J.W, Lee, D.W, Lee, S.H.
Deposit date:2020-06-24
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Functional Characterization of Primordial Protein Repair Enzyme M38 Metallo-Peptidase From Fervidobacterium islandicum AW-1.
Front Mol Biosci, 7, 2020
1FVG
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CRYSTAL STRUCTURE OF BOVINE PEPTIDE METHIONINE SULFOXIDE REDUCTASE
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, PEPTIDE METHIONINE SULFOXIDE REDUCTASE
Authors:Lowther, W.T, Brot, N, Weissbach, H, Matthews, B.W.
Deposit date:2000-09-19
Release date:2000-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and mechanism of peptide methionine sulfoxide reductase, an "anti-oxidation" enzyme.
Biochemistry, 39, 2000

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