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6OEX
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BU of 6oex by Molmil
Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor 3-(2-{1-[2-(Piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3- thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine
分子名称: 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F.
登録日2019-03-28
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
6OM0
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BU of 6om0 by Molmil
Human ribosome nascent chain complex (PCSK9-RNC) stalled by a drug-like molecule with AP and PE tRNAs
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Li, W, Cate, J.H.D.
登録日2019-04-17
公開日2019-06-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for selective stalling of human ribosome nascent chain complexes by a drug-like molecule.
Nat.Struct.Mol.Biol., 26, 2019
6OM8
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BU of 6om8 by Molmil
Caenorhabditis Elegans UDP-Glucose Dehydrogenase in complex with UDP-Xylose
分子名称: UDP-glucose 6-dehydrogenase, URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE
著者Beattie, N.R, McDonald, W.E, Hicks Sirmans, T.N, Wood, Z.A.
登録日2019-04-18
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Conservation of Atypical Allostery inC. elegansUDP-Glucose Dehydrogenase.
Acs Omega, 4, 2019
6ONU
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BU of 6onu by Molmil
Complex structure of WhiB1 and region 4 of SigA in P21 space group.
分子名称: DI(HYDROXYETHYL)ETHER, IRON/SULFUR CLUSTER, RNA polymerase sigma factor SigA, ...
著者Wan, T, Li, S.R, Beltran, D.G, Schacht, A, Becker, D.C, Zhang, L.M.
登録日2019-04-22
公開日2019-11-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis of non-canonical transcriptional regulation by the sigma A-bound iron-sulfur protein WhiB1 in M. tuberculosis.
Nucleic Acids Res., 48, 2020
2RMG
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BU of 2rmg by Molmil
Human Urocortin 2
分子名称: Urocortin-2
著者Grace, C.R.R, Perrin, M.H, Cantle, J.P, Vale, W.W, Rivier, J.E, Riek, R.
登録日2007-10-16
公開日2008-01-01
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Common and divergent structural features of a series of corticotropin releasing factor-related peptides
J.Am.Chem.Soc., 129, 2007
6OOW
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BU of 6oow by Molmil
The crystal structure of 4-ethylbenzoate bound to T252A mutant of CYP199A4
分子名称: 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Coleman, T, Bruning, J.B, Bell, S.G.
登録日2019-04-23
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural investigation of the interplay between the substrate and the acid-alcohol pair of residues in cytochrome P450 enzymes
To Be Published
6XGU
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BU of 6xgu by Molmil
Crystal Structure of KRAS-Q61R (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF
分子名称: GLYCEROL, GTPase KRas, MAGNESIUM ION, ...
著者Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
登録日2020-06-18
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6O4C
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BU of 6o4c by Molmil
Structure of ALDH7A1 mutant W175A complexed with NAD
分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ...
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
6XN0
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BU of 6xn0 by Molmil
Crystal structure of GH43_1 enzyme from Xanthomonas citri
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T.
登録日2020-07-02
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.709 Å)
主引用文献Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations.
Nat Commun, 12, 2021
6OAF
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BU of 6oaf by Molmil
Sudan virus nucleoprotein core domain in complex with VP35 chaperoning peptide
分子名称: Polymerase cofactor VP35,Nucleoprotein
著者Landeras-Bueno, S, Oda, S, Norris, M.J, Li Salie, Z, Ollmann Saphire, E.
登録日2019-03-15
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sudan Ebolavirus VP35-NP Crystal Structure Reveals a Potential Target for Pan-Filovirus Treatment.
Mbio, 10, 2019
5HYR
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BU of 5hyr by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-SP2 and Estradiol
分子名称: ESTRADIOL, Estrogen receptor, GLYCEROL, ...
著者Fanning, S.W, Speltz, T.E, Mayne, C.G, Tajkhorshid, E, Greene, G.L, Moore, T.W.
登録日2016-02-01
公開日2016-05-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.271 Å)
主引用文献Stapled Peptides with gamma-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction.
Angew.Chem.Int.Ed.Engl., 55, 2016
6XTY
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BU of 6xty by Molmil
CryoEM structure of human CMG bound to AND-1 (CMGA)
分子名称: Cell division control protein 45 homolog, DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, ...
著者Rzechorzek, N.J, Pellegrini, L, Chirgadze, D.Y, Hardwick, S.W.
登録日2020-01-16
公開日2020-05-27
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (6.77 Å)
主引用文献CryoEM structures of human CMG-ATP gamma S-DNA and CMG-AND-1 complexes.
Nucleic Acids Res., 48, 2020
6OTR
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BU of 6otr by Molmil
Dimeric E.coli YoeB bound to Thermus thermophilus 70S post-cleavage (AAU)
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Pavelich, I.P, Hoffer, E.D, Maehigashi, T, Dunham, C.M.
登録日2019-05-03
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Monomeric YoeB toxin retains RNase activity but adopts an obligate dimeric form for thermal stability.
Nucleic Acids Res., 47, 2019
6O4K
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BU of 6o4k by Molmil
Structure of ALDH7A1 mutant E399Q complexed with NAD
分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ...
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural analysis of pathogenic mutations targeting Glu427 of ALDH7A1, the hot spot residue of pyridoxine-dependent epilepsy.
J. Inherit. Metab. Dis., 43, 2020
6TWQ
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BU of 6twq by Molmil
MAGI1_2 complexed with a 16E6 peptide
分子名称: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2020-01-13
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
4B76
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BU of 4b76 by Molmil
Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function
分子名称: NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3, [2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium
著者Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H.
登録日2012-08-16
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
6OJL
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BU of 6ojl by Molmil
Structure of YePL2A R194K in Complex with Pentagalacturonic Acid
分子名称: 1,2-ETHANEDIOL, Periplasmic pectate lyase, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid
著者Jones, D.R, Abbott, D.W.
登録日2019-04-11
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A surrogate structural platform informed by ancestral reconstruction and resurrection of a putative carbohydrate binding module hybrid illuminates the neofunctionalization of a pectate lyase.
J.Struct.Biol., 207, 2019
6OBU
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BU of 6obu by Molmil
PP1 Y134K in complex with Microcystin LR
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
登録日2019-03-21
公開日2019-09-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
2RMD
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BU of 2rmd by Molmil
Astressin-B
分子名称: ASTRESSIN-B
著者Grace, C.R.R, Perrin, M.H, Cantle, J.P, Vale, W.W, Rivier, J.E, Riek, R.
登録日2007-10-16
公開日2008-01-01
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Common and divergent structural features of a series of corticotropin releasing factor-related peptides
J.Am.Chem.Soc., 129, 2007
6OV7
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BU of 6ov7 by Molmil
CFTR Associated Ligand (CAL) PDZ domain bound to peptide kCAL01
分子名称: Golgi-associated PDZ and coiled-coil motif-containing protein, kCAL01 peptide
著者Gill, N.P, Madden, D.R.
登録日2019-05-07
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Computational Analysis of Energy Landscapes Reveals Dynamic Features That Contribute to Binding of Inhibitors to CFTR-Associated Ligand.
J.Phys.Chem.B, 123, 2019
6OW4
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BU of 6ow4 by Molmil
Structure of the NADH-bound form of 20beta-Hydroxysteroid Dehydrogenase from Bifidobacterium adolescentis strain L2-32
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase, short chain dehydrogenase/reductase family protein
著者Mythen, S.M, Pollet, R.M, Koropatkin, N.M, Ridlon, J.M.
登録日2019-05-09
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural and biochemical characterization of 20 beta-hydroxysteroid dehydrogenase fromBifidobacterium adolescentisstrain L2-32.
J.Biol.Chem., 294, 2019
6O4I
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BU of 6o4i by Molmil
Structure of ALDH7A1 mutant E399D complexed with alpha-aminoadipate
分子名称: 1,2-ETHANEDIOL, 2-AMINOHEXANEDIOIC ACID, Alpha-aminoadipic semialdehyde dehydrogenase
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-11-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural analysis of pathogenic mutations targeting Glu427 of ALDH7A1, the hot spot residue of pyridoxine-dependent epilepsy.
J. Inherit. Metab. Dis., 43, 2020
8OIO
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BU of 8oio by Molmil
Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 12, ...
著者Dalietou, E.V, Chen, Z, Ramdass, A.E, Manning, C, Richardson, W, Aitmakhanova, K, Platt, M, Pike, A.C.W, Fedorov, O, Brennan, P, Bullock, A.N.
登録日2023-03-23
公開日2024-04-03
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide
To Be Published
6OBN
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BU of 6obn by Molmil
The crystal structure of coexpressed SDS22:PP1 complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE (III) ION, ...
著者Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
登録日2019-03-21
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OLE
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BU of 6ole by Molmil
Human ribosome nascent chain complex (CDH1-RNC) stalled by a drug-like molecule with AP and PE tRNAs
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Li, W, Cate, J.H.D.
登録日2019-04-16
公開日2019-06-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for selective stalling of human ribosome nascent chain complexes by a drug-like molecule.
Nat.Struct.Mol.Biol., 26, 2019

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