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7L00
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Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
分子名称: Enoyl-Acyl Carrier Protein Reductase FabK, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Akhtar, A, Santarsiero, B.D, Hevener, K.E.
登録日2020-12-10
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
To be published
6PYA
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Sex Hormone-binding globulin mutant E176K in complex with IPI
分子名称: 3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole, CALCIUM ION, Sex hormone-binding globulin
著者Round, P.W, Das, S, Van Petegem, F.
登録日2019-07-29
公開日2019-12-25
最終更新日2020-02-12
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Molecular interactions between sex hormone-binding globulin and nonsteroidal ligands that enhance androgen activity.
J.Biol.Chem., 295, 2020
6FGD
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BU of 6fgd by Molmil
Crystal structure of Gephyrin E domain in complex with Artemether
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Kasaragod, V.B, Schindelin, H.
登録日2018-01-10
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins.
Neuron, 101, 2019
6HM4
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BU of 6hm4 by Molmil
Crystal structure of Rad4 BRCT1,2 in complex with a Mdb1 phosphopeptide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DNA damage response protein Mdb1, ...
著者Day, M, Rappas, M, Oliver, A.W, Pearl, L.H.
登録日2018-09-12
公開日2018-10-17
実験手法X-RAY DIFFRACTION (1.770186 Å)
主引用文献BRCT domains of the DNA damage checkpoint proteins TOPBP1/Rad4 display distinct specificities for phosphopeptide ligands.
Elife, 7, 2018
7QT9
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BU of 7qt9 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011584
分子名称: DIMETHYL SULFOXIDE, N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide, Non-structural protein 6
著者Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
登録日2022-01-14
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
6FGU
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Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 4
分子名称: 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide, Bromodomain adjacent to zinc finger domain protein 2B
著者Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
登録日2018-01-11
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6XZT
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BU of 6xzt by Molmil
Crystal structure of helicase Pif1 from Thermus oshimai mutant G110C-E410C
分子名称: PIF1 helicase
著者Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G.
登録日2020-02-05
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.341 Å)
主引用文献Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition.
Nucleic Acids Res., 49, 2021
6PYF
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BU of 6pyf by Molmil
Sex Hormone-binding globulin mutant E176K in complex with Estradiol
分子名称: CALCIUM ION, ESTRADIOL, Sex hormone-binding globulin
著者Round, P.W, Wu, T.S, Das, S, Van Petegem, F.
登録日2019-07-29
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Molecular interactions between sex hormone-binding globulin and nonsteroidal ligands that enhance androgen activity.
J.Biol.Chem., 295, 2020
7QRV
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BU of 7qrv by Molmil
Crystal structure of NHL domain of TRIM2 (full C-terminal)
分子名称: 1,2-ETHANEDIOL, Tripartite motif-containing protein 2
著者Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-01-12
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.
Iucrj, 9, 2022
8SIW
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BU of 8siw by Molmil
Structure of Compound 5 bound to the CHK1 10-point mutant
分子名称: (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2023-04-17
公開日2023-11-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.877 Å)
主引用文献Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
6CSW
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BU of 6csw by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor
分子名称: (7R)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ...
著者dos Reis, C.V, de Souza, G.P, Counago, R.M, Chiodi, C.G, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2018-03-21
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor
To Be Published
7L23
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BU of 7l23 by Molmil
HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-3-yl)ethanoic acid
分子名称: 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-12-16
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening
To Be Published
7L2Y
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BU of 7l2y by Molmil
HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-3-yl)ethanoic acid
分子名称: 4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-12-17
公開日2021-12-22
実験手法X-RAY DIFFRACTION (1.982 Å)
主引用文献HIV Integrase core domain in complex with inhibitor
To Be Published
5U5O
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BU of 5u5o by Molmil
Bacterial adhesin from Mobiluncus mulieris containing intramolecular disulfide, isopeptide, and ester bond cross-links (space group P1)
分子名称: LPXTG-motif cell wall anchor domain protein
著者Paynter, J, Young, P.G, Squire, C.J.
登録日2016-12-07
公開日2018-06-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Domain structure and cross-linking in a giant adhesin from the Mobiluncus mulieris bacterium.
Acta Crystallogr D Struct Biol, 79, 2023
8SKY
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BU of 8sky by Molmil
Crystal structure of YisK from Bacillus subtilis in complex with oxalate
分子名称: Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION, OXALATE ION
著者Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C.
登録日2023-04-20
公開日2023-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization.
J.Bacteriol., 206, 2024
6Q4X
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BU of 6q4x by Molmil
Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana
分子名称: SODIUM ION, Uncharacterized protein
著者Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J.
登録日2018-12-06
公開日2019-09-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
7L5A
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BU of 7l5a by Molmil
Crystal structure of the photosensory module from Xanthomonas campestris bacteriophytochrome XccBphP in the Pfr state
分子名称: BILIVERDINE IX ALPHA, Bacteriophytochrome
著者Otero, L.H, Antelo, G, Sanchez-Lamas, M, Klinke, S, Goldbaum, F.A, Rinaldi, J, Bonomi, H.R.
登録日2020-12-21
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level.
Sci Adv, 7, 2021
5FJQ
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BU of 5fjq by Molmil
Structural and functional analysis of a lytic polysaccharide monooxygenase important for efficient utilization of chitin in Cellvibrio japonicus
分子名称: CARBOHYDRATE BINDING PROTEIN, PUTATIVE, CPB33A, ...
著者Forsberg, Z, Nelson, C.E, Dalhus, B, Mekasha, S, Loose, J.S.M, Rohr, A.K, Eijsink, V.G.H, Gardner, J.G, Vaaje-Kolstad, G.
登録日2015-10-12
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Functional Analysis of a Lytic Polysaccharide Monooxygenase Important for Efficient Utilization of Chitin in Cellvibrio Japonicus
J.Biol.Chem., 291, 2016
6FHQ
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BU of 6fhq by Molmil
Crystal structure of human BAZ2B PHD zinc finger in complex with Fr 21
分子名称: 2-azanyl-~{N}-(1,3-thiazol-2-yl)ethanamide, Bromodomain adjacent to zinc finger domain protein 2B, ZINC ION
著者Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
登録日2018-01-15
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
5FUF
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BU of 5fuf by Molmil
Crystal structure of the Mep2 mutant S453D from Candida albicans
分子名称: AMMONIUM TRANSPORTER, DECYL-BETA-D-MALTOPYRANOSIDE
著者van den Berg, B, Chembath, A, Jefferies, D, Basle, A, Khalid, S, Rutherford, J.
登録日2016-01-26
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.066 Å)
主引用文献Structural Basis for Mep2 Ammonium Transceptor Activation by Phosphorylation.
Nat.Commun., 7, 2016
6Q5R
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BU of 6q5r by Molmil
Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-LL-KgEb
分子名称: CC-Hex*-LL-KgEb, GLYCEROL
著者Beesley, J.L, Rhys, G.G, Wood, C.W, Brady, R.L, Woolfson, D.N.
登録日2018-12-09
公開日2019-05-22
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
6HMJ
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Structure of an RNA-binding Light-Oxygen-Voltage Receptor
分子名称: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Ziegler, T, Moniot, S, Moeglich, A.
登録日2018-09-12
公開日2019-08-28
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献A blue light receptor that mediates RNA binding and translational regulation.
Nat.Chem.Biol., 15, 2019
6CQR
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BU of 6cqr by Molmil
Crystal structure of F24 TCR -DR1-RQ13 peptide complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F24 alpha chain, F24 beta chain, ...
著者Farenc, C, Gras, S, Rossjohn, J.
登録日2018-03-16
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献CD4+T cell-mediated HLA class II cross-restriction in HIV controllers.
Sci Immunol, 3, 2018
7QRY
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BU of 7qry by Molmil
Crystal structure of B30.2 PRYSPRY domain of MID1
分子名称: E3 ubiquitin-protein ligase Midline-1
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-01-12
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal structure of B30.2 PRYSPRY domain of MID1
To Be Published
5FXY
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Structure of the human RBBP4:MTA1(464-546) complex
分子名称: HISTONE-BINDING PROTEIN RBBP4, METASTASIS-ASSOCIATED PROTEIN MTA1
著者Millard, C.J, Varma, N, Fairall, L, Schwabe, J.W.R.
登録日2016-03-03
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The structure of the core NuRD repression complex provides insights into its interaction with chromatin.
Elife, 5, 2016

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