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6I56
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Crystal structure of PBSX exported protein XepA
分子名称: GLYCEROL, Phage-like element PBSX protein XepA
著者Hakansson, M, Svensson, L.A, Welin, M, Al-Karadaghi, S.
登録日2018-11-13
公開日2019-11-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structures of the Bacillus subtilis prophage lytic cassette proteins XepA and YomS.
Acta Crystallogr D Struct Biol, 75, 2019
6I69
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BU of 6i69 by Molmil
Circular permutant of ribosomal protein S6, adding 5aa to C terminal of P97-3, L10A mutant
分子名称: 30S ribosomal protein S6
著者Wang, H, Logan, D.T, Oliveberg, M.
登録日2018-11-15
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I3U
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BU of 6i3u by Molmil
Optimization of potent and selective ATM inhibitors suitable for a proof-of-concept study in Huntington's disease models
分子名称: 2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
著者Leonard, P.M.
登録日2018-11-07
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Optimization of Potent and Selective Ataxia Telangiectasia-Mutated Inhibitors Suitable for a Proof-of-Concept Study in Huntington's Disease Models.
J.Med.Chem., 62, 2019
6I7I
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BU of 6i7i by Molmil
Crystal structure of dimeric FICD mutant K256A complexed with MgATP
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, ...
著者Perera, L.A, Yan, Y, Read, R.J, Ron, D.
登録日2018-11-16
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP.
Embo J., 38, 2019
6ECA
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BU of 6eca by Molmil
Lactobacillus rhamnosus Beta-glucuronidase
分子名称: Beta-glucuronidase, CHLORIDE ION, GLYCEROL
著者Biernat, K.A, Pellock, S.J, Bhatt, A.P, Bivins, M.M, Walton, W.G, Tran, B.N.T, Wei, L, Snider, M.C, Cesmat, A.P, Tripathy, A, Erie, D.A, Redinbo, M.R.R.
登録日2018-08-07
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.853 Å)
主引用文献Structure, function, and inhibition of drug reactivating human gut microbial beta-glucuronidases.
Sci Rep, 9, 2019
6ENE
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BU of 6ene by Molmil
OmpF orthologue from Enterobacter cloacae (OmpE35)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Outer membrane protein (Porin), SULFATE ION, ...
著者van den Berg, B, Abellon-Ruiz, J, Basle, A.
登録日2017-10-04
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins.
Acs Infect Dis., 4, 2018
6EO3
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BU of 6eo3 by Molmil
Conformational dynamism for DNA interaction in Salmonella typhimurium RcsB response regulator. S207C P212121
分子名称: SULFATE ION, Transcriptional regulatory protein RcsB
著者Casino, P, Marina, A.
登録日2017-10-08
公開日2017-11-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformational dynamism for DNA interaction in the Salmonella RcsB response regulator.
Nucleic Acids Res., 46, 2018
6ERN
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BU of 6ern by Molmil
HIV Hexamer with ligand
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Gag polyprotein
著者James, L.C.
登録日2017-10-18
公開日2018-11-07
最終更新日2020-04-01
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献HIV hexamer
To Be Published
6KNK
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BU of 6knk by Molmil
Crystal structure of SbnH in complex with citryl-diaminoethane
分子名称: (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID, (2~{S})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid, PHOSPHATE ION, ...
著者Tang, J, Ju, Y, Zhou, H.
登録日2019-08-05
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
6EO6
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BU of 6eo6 by Molmil
X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA aptamer containing 5-(3-(2-(1H-indol-3-yl)acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine residue
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GA63A - TBA MODIFIED APTAMER, ...
著者Dolot, R.M, Nawrot, B, Yang, X.
登録日2017-10-09
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity.
Nucleic Acids Res., 46, 2018
6K6V
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BU of 6k6v by Molmil
Crystal structure of barley exohydrolaseI W434A mutant in complex with methyl 6-thio-beta-gentiobioside
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-06-05
公開日2020-08-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6JY1
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Crystal Structure of a Group II pyridoxal dependent decarboxylase, LLP-bound form from Methanocaldococcus jannaschii at 1.72 A
分子名称: GLYCEROL, L-tyrosine/L-aspartate decarboxylase, SULFATE ION
著者Manoj, N, Gayathri, S.C.
登録日2019-04-25
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural insights into the mechanism of internal aldimine formation and catalytic loop dynamics in an archaeal Group II decarboxylase.
J.Struct.Biol., 208, 2019
6ERM
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BU of 6erm by Molmil
HIV Hexamer with ligand
分子名称: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE, Gag polyprotein
著者James, L.C.
登録日2017-10-18
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HIV hexamer
To Be Published
6E8C
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BU of 6e8c by Molmil
Crystal structure of the double homeodomain of DUX4 in complex with DNA
分子名称: DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), Double homeobox protein 4
著者Lee, J.K, Bosnakovski, D, Toso, E.A, Dinh, T, Banerjee, S, Bohl, T.E, Shi, K, Kurahashi, K, Kyba, M, Aihara, H.
登録日2018-07-27
公開日2018-12-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal Structure of the Double Homeodomain of DUX4 in Complex with DNA.
Cell Rep, 25, 2018
6E99
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BU of 6e99 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor.
分子名称: 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Judge, R.A, Hobson, A.D.
登録日2018-07-31
公開日2018-11-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6K9S
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BU of 6k9s by Molmil
Structure of the Carbonylruthenium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
分子名称: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CARBON MONOXIDE, ...
著者Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
登録日2019-06-17
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6EA7
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BU of 6ea7 by Molmil
Structure of EBOV GPcl in complex with the pan-ebolavirus mAb ADI-15878
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者West, B.R, Moyer, C.L, King, L.B, Fusco, M.L, Milligan, J.C, Hui, S, Saphire, E.O.
登録日2018-08-02
公開日2018-09-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (4.25 Å)
主引用文献Structural Basis of Pan-Ebolavirus Neutralization by a Human Antibody against a Conserved, yet Cryptic Epitope.
MBio, 9, 2018
6EAH
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BU of 6eah by Molmil
CRYSTAL STRUCTURE OF HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN INHIBITOR ESCAPE VARIANT K394R-S398L STABILIZED IN THE PREFUSION STATE
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ...
著者Battles, M.B, McLellan, J.S.
登録日2018-08-03
公開日2019-08-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis for Respiratory Syncytial Virus Fusion Inhibitor Resistance
To be published
6K3Q
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BU of 6k3q by Molmil
Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine
分子名称: (2S)-2-[[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
著者Shoji, O, Yonemura, K.
登録日2019-05-21
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3
Acs Catalysis, 10, 2020
6EBC
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BU of 6ebc by Molmil
OhrB (Organic Hydroperoxide Resistance protein) wild type from Chromobacterium violaceum and reduced by DTT
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, Organic hydroperoxide resistance protein
著者Domingos, R.M, Teixeira, R.D, Alegria, T.G.P, Vieira, P.S, Murakami, M.T, Netto, L.E.S.
登録日2018-08-06
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Substrate and product-assisted catalysis: molecular aspects behind structural switches along Organic Hydroperoxide Resistance Protein catalytic cycle
Acs Catalysis, 2020
6KEQ
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BU of 6keq by Molmil
Crystal structure of D113A mutant of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-form
分子名称: Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T.
登録日2019-07-04
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
6ED1
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BU of 6ed1 by Molmil
Bacteroides dorei Beta-glucuronidase
分子名称: Glycosyl hydrolase family 2, sugar binding domain protein, SODIUM ION
著者Biernat, K.A, Redinbo, M.R.
登録日2018-08-08
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure, function, and inhibition of drug reactivating human gut microbial beta-glucuronidases.
Sci Rep, 9, 2019
6EEU
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BU of 6eeu by Molmil
Structure of class II HMG-CoA reductase from Delftia acidovorans
分子名称: 1,2-ETHANEDIOL, 3-hydroxy-3-methylglutaryl coenzyme A reductase, SULFATE ION
著者Ragwan, E.R, Arai, E, Kung, Y.
登録日2018-08-15
公開日2018-09-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献New Crystallographic Snapshots of Large Domain Movements in Bacterial 3-Hydroxy-3-methylglutaryl Coenzyme A Reductase.
Biochemistry, 57, 2018
6KMK
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BU of 6kmk by Molmil
Crystal structure of hydrogen peroxide bound bovine lactoperoxidase at 2.3 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HYDROGEN PEROXIDE, ...
著者Singh, P.K, Sirohi, H.V, Bhusan, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2019-07-31
公開日2019-08-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of hydrogen peroxide bound bovine lactoperoxidase at 2.3 A resolution
To Be Published
6EGY
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BU of 6egy by Molmil
Crystal structure of cytochrome c in complex with mono-PEGylated sulfonatocalix[4]arene
分子名称: Cytochrome c iso-1, HEME C, SULFATE ION, ...
著者Mummidivarapu, V.V.S, Rennie, M.L, Crowley, P.B.
登録日2017-09-12
公開日2018-10-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Noncovalent PEGylation via Sulfonatocalix[4]arene-A Crystallographic Proof.
Bioconjug.Chem., 29, 2018

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件を2024-11-06に公開中

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