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6CQC
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BU of 6cqc by Molmil
RNase P protein from Thermotoga maritima in complex with 1-(4-Fluorophenyl)-2-thiourea
分子名称: 1-(4-fluorophenyl)thiourea, Ribonuclease P protein component, SULFATE ION
著者Torres-Larios, A, Madrigal-Carrillo, E.A.
登録日2018-03-14
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Discovery of novel RNase P inhibitors via an activity-binding-structure pipeline
To Be Published
6Q5N
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BU of 6q5n by Molmil
Crystal structure of a CC-Hex mutant that forms a parallel six-helix coiled coil CC-Hex*-L24Nle
分子名称: 1,4-DIETHYLENE DIOXIDE, CC-Hex*-L24Nle, GLYCEROL
著者Wood, C.W, Beesley, J.L, Rhys, G.G, 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 (2 Å)
主引用文献Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
8SPK
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BU of 8spk by Molmil
Crystal structure of Antarctic PET-degrading enzyme
分子名称: Lipase 1, MALONATE ION
著者Furtado, A.A, Blazquez-Sanchez, P, Grinen, A, Vargas, J.A, Leonardo, D.A, Sculaccio, S.A, Pereira, H.M, Diez, B, Garratt, R.C, Ramirez-Sarmiento, C.A.
登録日2023-05-03
公開日2023-08-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering the catalytic activity of an Antarctic PET-degrading enzyme by loop exchange.
Protein Sci., 32, 2023
6YGE
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BU of 6yge by Molmil
NADase from Aspergillus fumigatus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, AfNADase, ...
著者Stromland, O, Ziegler, M, Kallio, J.P.
登録日2020-03-27
公開日2020-12-23
最終更新日2021-07-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of fungal surface NADases predominantly present in pathogenic species.
Nat Commun, 12, 2021
6HFU
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BU of 6hfu by Molmil
Human dihydroorotase mutant F1563Y co-crystallized with carbamoyl aspartate at pH 7.5
分子名称: CAD protein, FORMIC ACID, N-CARBAMOYL-L-ASPARTATE, ...
著者Ramon-Maiques, S, Grande Garcia, A.
登録日2018-08-21
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3997103 Å)
主引用文献Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
5H3T
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BU of 5h3t by Molmil
m7G cap bound to GEMIN5-WD
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, GLYCEROL, Gem-associated protein 5
著者Bharath, S.R, Tang, X, Song, H.
登録日2016-10-27
公開日2016-12-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.571 Å)
主引用文献Structural basis for specific recognition of pre-snRNA by Gemin5
Cell Res., 26, 2016
6YP9
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BU of 6yp9 by Molmil
Rabbit muscle actin in complex with ADF-H and ATP-ATTO-488
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Kogan, K, Kotila, T, Lappalainen, P.
登録日2020-04-15
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.564 Å)
主引用文献A functional family of fluorescent nucleotide analogues to investigate actin dynamics and energetics.
Nat Commun, 12, 2021
8SH1
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BU of 8sh1 by Molmil
Structure of human POT1 DNA binding domain bound to a 5'-phosphorylated junction of a telomeric double-stranded DNA duplex with a 3'-overhang
分子名称: DNA (5'-D(*CP*GP*CP*GP*CP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*AP*CP*GP*CP*GP*CP*G)-3'), Protection of telomeres protein 1
著者Nandakumar, J, Tesmer, V.M.
登録日2023-04-13
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Human POT1 protects the telomeric ds-ss DNA junction by capping the 5' end of the chromosome.
Science, 381, 2023
6HDU
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BU of 6hdu by Molmil
Crystal structure of human Rab38 in complex with GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-38
著者McGrath, E, Waschbusch, D, Khan, A.R.
登録日2018-08-19
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.793 Å)
主引用文献LRRK2 binds to the Rab32 subfamily in a GTP-dependent mannerviaits armadillo domain.
Small GTPases, 2019
8AHR
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BU of 8ahr by Molmil
Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense in holo form with PLP
分子名称: Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE
著者Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Rakitina, T.V, Popov, V.O, Bezsudnova, E.Y.
登録日2022-07-22
公開日2022-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献To the Understanding of Catalysis by D-Amino Acid Transaminases: A Case Study of the Enzyme from Aminobacterium colombiense.
Molecules, 28, 2023
6HG4
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BU of 6hg4 by Molmil
Crystal Structure of the human IL-17RC ECD in complex with human IL-17F
分子名称: Interleukin-17 receptor C, Interleukin-17F
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-22
公開日2020-03-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
8ARM
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BU of 8arm by Molmil
Crystal structure of LSSmScarlet2
分子名称: LSSmScarlet2, SULFATE ION
著者Samygina, V.R, Subach, O.M, Vlaskina, A.V, Subach, F.V.
登録日2022-08-17
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献LSSmScarlet2 and LSSmScarlet3, Chemically Stable Genetically Encoded Red Fluorescent Proteins with a Large Stokes' Shift.
Int J Mol Sci, 23, 2022
6Q6L
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BU of 6q6l by Molmil
Crystal structure of recombinant human beta-glucocerebrosidase in complex with adamantyl-cyclophellitol inhibitor (ME656)
分子名称: (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rowland, R.J, Davies, G.J.
登録日2018-12-11
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish.
J.Am.Chem.Soc., 141, 2019
8AAU
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BU of 8aau by Molmil
LIM Domain Kinase 1 (LIMK1) bound to LIMKi3
分子名称: 1,2-ETHANEDIOL, LIM domain kinase 1, MAGNESIUM ION, ...
著者Mathea, S, Salah, E, Hanke, T, Knapp, S.
登録日2022-07-03
公開日2022-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Development and Characterization of Type I, Type II, and Type III LIM-Kinase Chemical Probes.
J.Med.Chem., 65, 2022
7QJK
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BU of 7qjk by Molmil
Crystal structure of PDE6D in complex with Compound-2
分子名称: 1,2-ETHANEDIOL, N-(phenylmethyl)pyridin-2-amine, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ...
著者Yelland, T, Ismail, S.
登録日2021-12-16
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Stabilization of the RAS:PDE6D Complex Is a Novel Strategy to Inhibit RAS Signaling.
J.Med.Chem., 65, 2022
6Q7E
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BU of 6q7e by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL14
分子名称: 3-[[4-imidazol-1-yl-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.059 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6HEE
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BU of 6hee by Molmil
Crystal structure of Extracellular Domain 1 (ECD1) of FtsX from S. pneumonie in complex with undecyl-maltoside
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein FtsX, SULFATE ION, ...
著者Martinez-Caballero, S, Alcorlo-Pages, M, Hermoso, J.A.
登録日2018-08-20
公開日2019-04-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae.
Mbio, 10, 2019
5VUP
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BU of 5vup by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(5-Fluoropyridin-3-yl)propyl)amino)methyl)quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2017-05-19
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
8B2P
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BU of 8b2p by Molmil
CYP153A71 from Acinetobacter dieselolei bound to octanoic acid
分子名称: Cytochrome P450 alkane hydroxylase, OCTANOIC ACID (CAPRYLIC ACID), PROTOPORPHYRIN IX CONTAINING FE
著者Opperman, D.J, Tolmie, C.
登録日2022-09-14
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献CYP153A71 from Alcanivorax dieselolei: Oxidation beyond Monoterminal Hydroxylation of n-Alkanes
Catalysts, 2022
8SIJ
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BU of 8sij by Molmil
Crystal structure of F. varium tryptophanase
分子名称: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Tryptophanase 1, ...
著者Graboski, A.L, Redinbo, M.R.
登録日2023-04-16
公開日2023-08-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
6FJO
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BU of 6fjo by Molmil
Adenovirus species 26 knob protein, very high resolution
分子名称: Fiber, GLUTAMIC ACID, GLYCEROL, ...
著者Rizkallah, P.J, Parker, A.L, Baker, A.T.
登録日2018-01-22
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Human adenovirus type 26 uses sialic acid-bearing glycans as a primary cell entry receptor.
Sci Adv, 5, 2019
5VUZ
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BU of 5vuz by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Pyridin-3-yl)propyl)amino)methyl)quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2-, Nitric oxide synthase, ...
著者Huiying, L, Thomas, L.P.
登録日2017-05-19
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
6YPQ
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BU of 6ypq by Molmil
Crystal structure of native Phycocyanin from T. elongatus in spacegroup R32 at 1.29 Angstroms
分子名称: C-phycocyanin alpha chain, C-phycocyanin beta chain, GLYCINE, ...
著者Feiler, C.G, Falke, S, Sarrou, I.
登録日2020-04-16
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献C-phycocyanin as a highly attractive model system in protein crystallography: unique crystallization properties and packing-diversity screening.
Acta Crystallogr D Struct Biol, 77, 2021
6YIH
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BU of 6yih by Molmil
Structure of Chromosomal Passenger Complex (CPC) bound to phosphorylated Histone 3 peptide at 2.6 A.
分子名称: Baculoviral IAP repeat-containing protein 5, Borealin, Histone H3.1, ...
著者Serena, M, Elliott, P.R, Barr, F.A.
登録日2020-04-01
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Molecular basis of MKLP2-dependent Aurora B transport from chromatin to the anaphase central spindle.
J.Cell Biol., 219, 2020
6YQO
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BU of 6yqo by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW12
分子名称: (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-17
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020

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件を2024-08-28に公開中

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