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PDB: 89035 件

6ZUC
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X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-Lig1-HAB1 TERNARY COMPLEX
分子名称: 1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide, CHLORIDE ION, CSPYL1, ...
著者Albert, A, Infantes, L, Benavente, J.L.
登録日2020-07-22
公開日2021-08-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
8EYK
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Atomic model of the core modifying region of human fatty acid synthase in complex with TVB-2640
分子名称: Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, denifanstat
著者Hasan, S.M.N, Keszei, A, Mazhab-Jafari, M.T.
登録日2022-10-27
公開日2023-05-24
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Atomic model for core modifying region of human fatty acid synthase in complex with Denifanstat.
Nat Commun, 14, 2023
4XIA
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BU of 4xia by Molmil
STRUCTURES OF D-XYLOSE ISOMERASE FROM ARTHROBACTER STRAIN B3728 CONTAINING THE INHIBITORS XYLITOL AND D-SORBITOL AT 2.5 ANGSTROMS AND 2.3 ANGSTROMS RESOLUTION, RESPECTIVELY
分子名称: D-XYLOSE ISOMERASE, MAGNESIUM ION, sorbitol
著者Henrick, K, Collyer, C.A, Blow, D.M.
登録日1989-07-05
公開日1990-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of D-xylose isomerase from Arthrobacter strain B3728 containing the inhibitors xylitol and D-sorbitol at 2.5 A and 2.3 A resolution, respectively.
J.Mol.Biol., 208, 1989
5LY1
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JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer)
分子名称: CHLORIDE ION, CP2, GLYCEROL, ...
著者King, O.N.F, Chowdhury, R, Kawamura, A, Schofield, C.J.
登録日2016-09-23
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
8P64
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Co-crystal structure of PD-L1 with low molecular weight inhibitor
分子名称: Programmed cell death 1 ligand 1, ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine
著者Plewka, J, Magiera-Mularz, K, van der Straat, R, Draijer, R, Surmiak, E, Butera, R, Land, L, Musielak, B, Domling, A.
登録日2023-05-25
公開日2024-03-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.312 Å)
主引用文献1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists.
Rsc Med Chem, 15, 2024
8SZ3
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Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 7j
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(1S)-1-(5-bromopyridin-2-yl)ethyl]-3-[(2R)-3,3-dimethylbutan-2-yl]-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, ...
著者Sudom, A, Min, X.
登録日2023-05-26
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors.
J.Med.Chem., 66, 2023
6O5S
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BU of 6o5s by Molmil
Room temperature structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
分子名称: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-04
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
5LZ0
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Llama nanobody PorM_01
分子名称: PorM nanobody
著者Duhoo, Y, Leone, P, Roussel, A.
登録日2016-09-29
公開日2017-05-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
4XFR
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Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group P6522
分子名称: CITRIC ACID, Uncharacterized protein
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-28
公開日2015-01-28
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
8OS5
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BU of 8os5 by Molmil
Crystal structure of the Factor XII heavy chain reveals an interlocking dimer with a FnII to kringle domain interaction
分子名称: Coagulation factor XII-Mie
著者Li, C, Saleem, M, Kaira, B.G, Brown, A, Wilson, C, Philippou, H, Emsley, J.
登録日2023-04-18
公開日2024-03-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery.
Blood, 136, 2020
6ZYT
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Monomeric streptavidin with a conjugated biotinylated pyrrolidine
分子名称: 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, SULFATE ION, Streptavidin/Rhizavidin Hybrid
著者Nodling, A.R, Lipka-Lloyd, M, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y.
登録日2020-08-03
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The role of streptavidin and its variants in catalysis by biotinylated secondary amines.
Org.Biomol.Chem., 19, 2021
6UQV
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Crystal structure of ChoE, a bacterial acetylcholinesterase from Pseudomonas aeruginosa
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BUTANOIC ACID, CHLORIDE ION, ...
著者Shi, R, Pham, V.D, To, T.A.
登録日2019-10-21
公開日2020-05-13
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
J.Biol.Chem., 295, 2020
6ZZ4
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BU of 6zz4 by Molmil
Crystal structure of the PTPN2 C216G mutant
分子名称: PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 2
著者Mechaly, A.E, Berthelet, J, Nian, Q, Parlato, M, Cerf-Bensussan, N, Haouz, A, Rodrigues-Lima, F.
登録日2020-08-03
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural characterization of a pathogenic mutant of human protein tyrosine phosphatase PTPN2 (Cys216Gly) that causes very early onset autoimmune enteropathy.
Protein Sci., 31, 2022
5LXQ
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BU of 5lxq by Molmil
Structure of PRL-1 in complex with the Bateman domain of CNNM2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1, ...
著者GIMENEZ-Mascarell, P, Oyenarte, I, Hardy, S, Breiderhoff, T, Stuiver, M, Kostantin, E, Diercks, T, Pey, A.L, Ereno-ORBEA, J, Martinez-Chantar, M.L, Khalaf-Nazzal, R, Claverie-Martin, F, Muller, D, Tremblay, M, Martinez-Cruz, L.A.
登録日2016-09-22
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.335 Å)
主引用文献Structural Basis of the Oncogenic Interaction of Phosphatase PRL-1 with the Magnesium Transporter CNNM2.
J. Biol. Chem., 292, 2017
4XIS
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BU of 4xis by Molmil
A METAL-MEDIATED HYDRIDE SHIFT MECHANISM FOR XYLOSE ISOMERASE BASED ON THE 1.6 ANGSTROMS STREPTOMYCES RUBIGINOSUS STRUCTURES WITH XYLITOL AND D-XYLOSE
分子名称: D-xylose, MANGANESE (II) ION, XYLOSE ISOMERASE, ...
著者Whitlow, M, Howard, A.J.
登録日1991-03-25
公開日1992-07-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A metal-mediated hydride shift mechanism for xylose isomerase based on the 1.6 A Streptomyces rubiginosus structures with xylitol and D-xylose.
Proteins, 9, 1991
5LYG
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BU of 5lyg by Molmil
CRYSTAL STRUCTURE OF INTRACELLULAR B30.2 DOMAIN OF BTN3A1 BOUND TO MALONATE
分子名称: 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, MALONATE ION
著者Mohammed, F, Baker, A.T, Salim, M, Willcox, B.E.
登録日2016-09-28
公開日2017-09-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献BTN3A1 Discriminates gamma delta T Cell Phosphoantigens from Nonantigenic Small Molecules via a Conformational Sensor in Its B30.2 Domain.
ACS Chem. Biol., 12, 2017
8CE7
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BU of 8ce7 by Molmil
Type1 alpha-synuclein filament assembled in vitro by wild-type and mutant (7 residues insertion) protein
分子名称: Alpha-synuclein
著者Yang, Y, Garringer, J.H, Shi, Y, Lovestam, S, Peak-Chew, S.Y, Zhang, X.J, Kotecha, A, Bacioglu, M, Koto, A, Takao, M, Spillantini, G.M, Ghetti, B, Vidal, R, Murzin, G.A, Scheres, H.W.S, Goedert, M.
登録日2023-02-01
公開日2023-03-01
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献New SNCA mutation and structures of alpha-synuclein filaments from juvenile-onset synucleinopathy.
Acta Neuropathol, 145, 2023
6USD
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BU of 6usd by Molmil
Barrier-to-autointegration factor soaked in ethanol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-25
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
7Q0J
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BU of 7q0j by Molmil
RNA polymerase elongation complex in more-swiveled conformation
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Zhu, C, Guo, X, Weixlbaumer, A.
登録日2021-10-15
公開日2022-03-23
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Transcription factors modulate RNA polymerase conformational equilibrium.
Nat Commun, 13, 2022
4XJE
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CRYSTAL STRUCTURE OF ANT(2") IN COMPLEX WITH AMP AND TOBRAMYCIN
分子名称: ADENOSINE MONOPHOSPHATE, AadB, GLYCEROL, ...
著者Rodionov, D, Bassenden, A.V, Berghuis, A.M.
登録日2015-01-08
公開日2016-01-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Revisiting the Catalytic Cycle and Kinetic Mechanism of AminoglycosideO-Nucleotidyltransferase(2′′): A Structural and Kinetic Study.
Acs Chem.Biol., 2020
7PY0
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CryoEM structure of E.coli RNA polymerase elongation complex bound to NusG (NusG-EC in more-swiveled conformation)
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Zhu, C, Guo, X, Weixlbaumer, A.
登録日2021-10-08
公開日2022-03-23
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Transcription factors modulate RNA polymerase conformational equilibrium.
Nat Commun, 13, 2022
7N24
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NMR structure of native EpI
分子名称: Alpha-conotoxin EpI
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
5LE3
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Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_09_D12
分子名称: DD_D12_09_D12
著者Batyuk, A, Wu, Y, Mittl, P.R, Plueckthun, A.
登録日2016-06-29
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Rigidly connected multispecific artificial binders with adjustable geometries.
Sci Rep, 7, 2017
7PY8
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CryoEM structure of E.coli RNA polymerase elongation complex bound to NusG (NusG-EC in less-swiveled conformation)
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Zhu, C, Guo, X, Weixlbaumer, A.
登録日2021-10-09
公開日2022-03-23
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Transcription factors modulate RNA polymerase conformational equilibrium.
Nat Commun, 13, 2022
7N25
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NMR structure of EpI-OH
分子名称: Alpha-conotoxin EpI-OH
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021

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