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PDB: 27265 件

5SNW
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PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z730649594
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNE
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BU of 5sne by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z192955056
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SOA
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BU of 5soa by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1613492358
分子名称: (2R)-4-(1H-pyrazol-1-yl)butan-2-ol, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNU
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PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434770
分子名称: 1-(3-chlorophenyl)-N-methylmethanamine, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SO8
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BU of 5so8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z85895198
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(4-fluorobenzoyl)-N-methylglycine, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SN6
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BU of 5sn6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434942
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNN
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BU of 5snn by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1954800564
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-methoxy-1,3-benzothiazol-2-amine, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SO5
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BU of 5so5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH93B
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SO1
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BU of 5so1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30620520
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SOH
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BU of 5soh by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31432226
分子名称: (azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
6L9C
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BU of 6l9c by Molmil
Neutron structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4
分子名称: COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION
著者Murakawa, T, Kurihara, K, Shoji, M, Shibazaki, C, Sunami, T, Tamada, T, Yano, N, Yamada, T, Kusaka, K, Suzuki, M, Shigeta, Y, Kuroki, R, Hayashi, H, Yano, Y, Tanizawa, K, Adachi, M, Okajima, T.
登録日2019-11-08
公開日2020-04-29
最終更新日2023-11-22
実験手法NEUTRON DIFFRACTION (1.14 Å), X-RAY DIFFRACTION
主引用文献Neutron crystallography of copper amine oxidase reveals keto/enolate interconversion of the quinone cofactor and unusual proton sharing.
Proc.Natl.Acad.Sci.USA, 117, 2020
5SVF
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BU of 5svf by Molmil
IDH1 R132H in complex with IDH125
分子名称: (4S)-3-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Xie, X, Kulathila, R.
登録日2016-08-05
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
5SZ2
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Carbonic anhydrase II in complex with 4-(3-formylphenyl)-benzenesulfonamide
分子名称: 4-(3-formylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5TAS
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BU of 5tas by Molmil
Structure of rabbit RyR1 (Caffeine/ATP/EGTA dataset, class 1)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
著者Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
登録日2016-09-10
公開日2016-10-12
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
6L15
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BU of 6l15 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-05-27
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
5LII
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BU of 5lii by Molmil
bacteriophage phi812K1-420 major capsid protein
分子名称: Major capsid protein
著者Novacek, J, Siborova, M, Benesik, M, Pantucek, R, Doskar, J, Plevka, P.
登録日2016-07-14
公開日2017-07-19
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure and genome release of Twort-like Myoviridae phage with a double-layered baseplate.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5TB8
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Precatalytic ternary complex of Human DNA Polymerase Beta in closed conformation With Gapped DNA substrate incoming (-)3TC-TP and Mn2+.
分子名称: 10- MER PRIMER, 16- MER TEMPLATE, 5-MER PHOSPHORYLATED DOWNSTREAM PRIME, ...
著者Vyas, R, Suo, Z.
登録日2016-09-11
公開日2017-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into the Post-Chemistry Steps of Nucleotide Incorporation Catalyzed by a DNA Polymerase.
J. Am. Chem. Soc., 139, 2017
5LJE
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BU of 5lje by Molmil
Crystal structure of holo human CRBP1/K40L,Q108L mutant
分子名称: RETINOL, Retinol-binding protein 1, SODIUM ION
著者Zanotti, G, Vallese, F, Berni, R, Menozzi, I.
登録日2016-07-18
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and molecular determinants affecting the interaction of retinol with human CRBP1.
J. Struct. Biol., 197, 2017
6KRH
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BU of 6krh by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
分子名称: ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ...
著者Ramachandran, R, Shukla, A, Afsar, M.
登録日2019-08-21
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity.
Acta Crystallogr D Struct Biol, 77, 2021
5LH5
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BU of 5lh5 by Molmil
High dose Thaumatin - 40-80 ms.
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Schubert, R, Kapis, S, Heymann, M, Giquel, Y, Bourenkov, G, Schneider, T, Betzel, C, Perbandt, M.
登録日2016-07-08
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A multicrystal diffraction data-collection approach for studying structural dynamics with millisecond temporal resolution.
IUCrJ, 3, 2016
5LHD
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BU of 5lhd by Molmil
Structure of glycosylated human aminopeptidase N
分子名称: 1,2-ETHANEDIOL, 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Recacha, R, Mudgal, G, Santiago, C, Casasnovas, J.M.
登録日2016-07-11
公開日2017-04-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Allosteric inhibition of aminopeptidase N functions related to tumor growth and virus infection.
Sci Rep, 7, 2017
6KSC
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BU of 6ksc by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
分子名称: ADENOSINE MONOPHOSPHATE, DNA ligase A, SULFATE ION
著者Ramachandran, R, Shukla, A, Afsar, M.
登録日2019-08-23
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity.
Acta Crystallogr D Struct Biol, 77, 2021
5LJL
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Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target
分子名称: Flavodoxin, PHOSPHATE ION
著者Rodriguez-Cardenas, A, Rojas, A.L, Velazquez-Campoy, A, Hurtado-Guerrero, R, Sancho, J.
登録日2016-07-18
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target.
Plos One, 11, 2016
5LM4
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Structure of the thermostalilized EAAT1 cryst-II mutant in complex with L-ASP and the allosteric inhibitor UCPH101
分子名称: 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, ASPARTIC ACID, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, ...
著者Canul-Tec, J, Assal, R, Legrand, P, Reyes, N.
登録日2016-07-29
公開日2017-04-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure and allosteric inhibition of excitatory amino acid transporter 1.
Nature, 544, 2017
5LOX
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BU of 5lox by Molmil
Helical Assembly of the Anbu Complex from Pseudomonas aeruginosa
分子名称: Peptidase
著者Fuchs, A.C.D, Albrecht, R, Martin, J, Hartmann, M.D.
登録日2016-08-10
公開日2017-06-07
最終更新日2017-06-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Architecture of the Anbu Complex Reflects an Evolutionary Intermediate at the Origin of the Proteasome System.
Structure, 25, 2017

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件を2024-08-14に公開中

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