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6TZD
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BU of 6tzd by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 280 K
分子名称: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
著者Yabukarski, F, Herschlag, D.
登録日2019-08-12
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4507 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
8BWV
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BU of 8bwv by Molmil
Crystal Structure of SilF Cu(I)
分子名称: COPPER (II) ION, SilF
著者Lithgo, R.M, Carr, S.B, Scott, D.J, Quigley, A.
登録日2022-12-07
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献SilF structure with Ag(I) and Cu(I)
To Be Published
8P33
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BU of 8p33 by Molmil
BB0238 from Borrelia burgdorferi
分子名称: BB0238
著者Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U.
登録日2023-05-16
公開日2023-10-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A unique borrelial protein facilitates microbial immune evasion.
Mbio, 14, 2023
6TZH
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BU of 6tzh by Molmil
ADC-7 in complex with boronic acid transition state inhibitor S06015
分子名称: Beta-lactamase, GLYCINE, PHOSPHATE ION, ...
著者Fish, E.R, Powers, R.A, Wallar, B.J.
登録日2019-08-12
公開日2020-06-24
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase.
Acs Infect Dis., 6, 2020
6LDT
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BU of 6ldt by Molmil
K245A mutant of L-tyrosine decarboxylase from Methanocaldococcus jannaschii complexed with a post-decarboxylation quinonoid-like intermediate formed with L-tyrosine
分子名称: GLYCEROL, L-tyrosine/L-aspartate decarboxylase, SULFATE ION, ...
著者Manoj, N, Chellam Gayathri, S.
登録日2019-11-23
公開日2020-12-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.93 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
6TZZ
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BU of 6tzz by Molmil
Crystal Structure of Tetrahymena Thermophila Lipin Phosphatidic Acid Phosphatase with Magnesium
分子名称: MAGNESIUM ION, Nuclear elongation and deformation protein
著者Khayyo, V.I, Airola, M.V.
登録日2019-08-13
公開日2020-03-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of a lipin/Pah phosphatidic acid phosphatase
Nat Commun, 11, 2020
4ZDX
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BU of 4zdx by Molmil
Structure of OXA-51 beta-lactamase
分子名称: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Beta-lactamase, GLYCEROL
著者Smith, C.A, Antunes, N.T, Stewart, N.K, Frase, H, Toth, M, Kantardjieff, K.A, Vakulenko, S.B.
登録日2015-04-20
公開日2015-06-17
最終更新日2015-09-02
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural Basis for Enhancement of Carbapenemase Activity in the OXA-51 Family of Class D beta-Lactamases.
Acs Chem.Biol., 10, 2015
5ZRT
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BU of 5zrt by Molmil
Crystal structure of human C1ORF123 protein
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ...
著者Rahaman, S.N.A, Yusop, J.M, Mohamed-Hussein, Z.A, Wan Mohd, A, Ho, K.L, Teh, A.H, Waterman, J, Ng, C.L.
登録日2018-04-25
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure and functional analysis of human C1ORF123.
Peerj, 6, 2018
8ON4
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BU of 8on4 by Molmil
Structure of the C-terminal domains of the Bdellovibrio bacteriovorus Bd1334 fibre
分子名称: Cell wall surface anchor family protein
著者Caulton, S.G, Lovering, A.L.
登録日2023-03-31
公開日2023-10-25
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Bdellovibrio bacteriovorus uses chimeric fibre proteins to recognize and invade a broad range of bacterial hosts.
Nat Microbiol, 9, 2024
8B6D
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BU of 8b6d by Molmil
Crystal structure of UDP-glucose pyrophosphorylase from Thermocrispum agreste DSM 44070 in complex with UDP
分子名称: 1,2-ETHANEDIOL, GLYCEROL, SODIUM ION, ...
著者Laustsen, J, Kumpf, A, Bento, I.
登録日2022-09-27
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure determination of a highly active UDP-glucose pyrophosphorylase from Thermocrispum agreste DSM 44070
To Be Published
6OVT
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BU of 6ovt by Molmil
Crystal Structure of IlvD from Mycobacterium tuberculosis
分子名称: DI(HYDROXYETHYL)ETHER, Dihydroxy-acid dehydratase, FE2/S2 (INORGANIC) CLUSTER, ...
著者Almo, S.C, Grove, T.L, Bonanno, J.B, Baker, E.N, Bashiri, G.
登録日2019-05-08
公開日2019-08-07
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The active site of theMycobacterium tuberculosisbranched-chain amino acid biosynthesis enzyme dihydroxyacid dehydratase contains a 2Fe-2S cluster.
J.Biol.Chem., 294, 2019
5ZSA
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BU of 5zsa by Molmil
Crystal structure of monkey TLR7 in complex with IMDQ and UUUUUU
分子名称: 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine, 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Zhang, Z, Ohto, U, Shimizu, T.
登録日2018-04-28
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
8OND
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BU of 8ond by Molmil
Structure of the C-terminal domains of the Bdellovibrio bacteriovorus Bd2133 fibre
分子名称: CHLORIDE ION, SODIUM ION, bd2133
著者Caulton, S.G, Lovering, A.L.
登録日2023-04-02
公開日2023-10-25
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Bdellovibrio bacteriovorus uses chimeric fibre proteins to recognize and invade a broad range of bacterial hosts.
Nat Microbiol, 9, 2024
6U0O
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BU of 6u0o by Molmil
Crystal structure of a peptidoglycan release complex, SagB-SpdC, in lipidic cubic phase
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(2-ETHOXYETHOXY)ETHANOL, CITRATE ANION, ...
著者Owens, T.W, Schaefer, K, Kahne, D, Walker, S.
登録日2019-08-14
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and reconstitution of a hydrolase complex that may release peptidoglycan from the membrane after polymerization.
Nat Microbiol, 6, 2021
8OK0
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BU of 8ok0 by Molmil
Crystal structure of human NQO1 in complex with the inhibitor PMSF
分子名称: ACETYL GROUP, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A.
登録日2023-03-26
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural dynamics at the active site of the cancer-associated flavoenzyme NQO1 probed by chemical modification with PMSF.
Febs Lett., 597, 2023
7SH4
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BU of 7sh4 by Molmil
CD1a-phosphatidylglycerol binary structure
分子名称: (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Wegrecki, M, Rossjohn, J.
登録日2021-10-07
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Staphylococcal phosphatidylglycerol antigens activate human T cells via CD1a.
Nat.Immunol., 24, 2023
6U1Z
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BU of 6u1z by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 280 K
分子名称: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
著者Yabukarski, F, Herschlag, D.
登録日2019-08-18
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5005 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
4ZFJ
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BU of 4zfj by Molmil
Ergothioneine-biosynthetic Ntn hydrolase EgtC, apo form
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Amidohydrolase EgtC
著者Vit, A, Seebeck, F.P, Blankenfeldt, W.
登録日2015-04-21
公開日2015-07-01
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
8P32
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BU of 8p32 by Molmil
BB0238 from Borrelia burgdorferi, Se-Met data for Leu240Met mutant
分子名称: BB0238
著者Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U.
登録日2023-05-16
公開日2023-10-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A unique borrelial protein facilitates microbial immune evasion.
Mbio, 14, 2023
7SH5
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BU of 7sh5 by Molmil
Crystal structure of CYP142A3 from Mycobacterium ulcerans bound to Cholest-4-en-3-one
分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ...
著者Doherty, D.Z, Bell, S.G, Bruning, J.
登録日2021-10-08
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum.
Acs Infect Dis., 8, 2022
7VSW
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BU of 7vsw by Molmil
Crystal structure of a Fab-like fragment of anti-mesothelin antibody
分子名称: heavy chain, light chain
著者Yang, Z, Ying, T.
登録日2021-10-27
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design of a Novel Fab-Like Antibody Fragment with Enhanced Stability and Affinity for Clinical use.
Small Methods, 6, 2022
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
6A4P
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BU of 6a4p by Molmil
HEWL crystals soaked in 2.5M GuHCl for 40 minutes
分子名称: CHLORIDE ION, GUANIDINE, Lysozyme C, ...
著者Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V.
登録日2018-06-20
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding.
Int. J. Biol. Macromol., 122, 2019
4Z7B
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BU of 4z7b by Molmil
Structure of the enzyme-product complex resulting from TDG action on a GfC mismatch
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, DNA (28-MER), ...
著者Pozharski, E, Malik, S.S, Drohat, A.C.
登録日2015-04-07
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
8BW8
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BU of 8bw8 by Molmil
Crystal structure of the dCNK-SAM-CRIC-PDZ/dHYP-SAM complex
分子名称: Connector enhancer of KSR protein CNK, GLYCEROL, Protein aveugle
著者Maisonneuve, P, Kurinov, I, Sicheri, F.
登録日2022-12-06
公開日2024-02-21
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The CNK-HYP scaffolding complex promotes RAF activation by enhancing KSR-MEK interaction.
Nat.Struct.Mol.Biol., 31, 2024

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件を2024-08-21に公開中

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