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8A6W
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BU of 8a6w by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with cholestenone
分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase
著者Snee, M, Amadi, C, Levy, C.
登録日2022-06-20
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with cholestenone
To Be Published
8A8L
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BU of 8a8l by Molmil
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
分子名称: 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, Cytochrome P450 protein, GLYCEROL, ...
著者Snee, M, Katariya, M, Levy, C.
登録日2022-06-23
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
To Be Published
7ZGE
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BU of 7zge by Molmil
BrxA, BREX phage defence protein
分子名称: BrxA, BREX phage defence protein
著者Picton, D.M, Beck, I.N, Blower, T.R.
登録日2022-04-03
公開日2022-06-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of the anti-CRISPR repressor Aca2.
J.Struct.Biol., 213, 2021
8A7N
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BU of 8a7n by Molmil
Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125)
分子名称: N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide, PHOSPHATE ION, T-box transcription factor T
著者Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
登録日2022-06-21
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125)
To Be Published
8A1H
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BU of 8a1h by Molmil
Bacterial 6-4 photolyase from Vibrio cholerase
分子名称: 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-4 photolyase (FeS-BCP, ...
著者Essen, L.-O, Emmerich, H.J.
登録日2022-06-01
公開日2023-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and Functional Analysis of a Prokaryotic (6-4) Photolyase from the Aquatic Pathogen Vibrio Cholerae † .
Photochem.Photobiol., 99, 2023
8A58
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BU of 8a58 by Molmil
X-ray structure of TRIM21 RING E3 ligase in complex with E2 enzyme Ube2W
分子名称: E3 ubiquitin-protein ligase TRIM21, Ubiquitin-conjugating enzyme E2 W, ZINC ION
著者James, L.C, Kiss, L.
登録日2022-06-14
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Trim-Away ubiquitinates and degrades lysine-less and N-terminally acetylated substrates.
Nat Commun, 14, 2023
7ZIE
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BU of 7zie by Molmil
Gcf1p, multimerizes and bridges the mitochondrial DNA from Candida albicans by a specific mechanism.
分子名称: 20-mer DNA, GLYCEROL, Gcf1p
著者Tarres-Sole, A, Sola, M.
登録日2022-04-07
公開日2023-06-14
最終更新日2023-07-19
実験手法SOLUTION SCATTERING (2.9 Å), X-RAY DIFFRACTION
主引用文献Gcf1p tetramerizes upon DNA binding, revealing a novel compaction method for mitochondrial DNA in Candida albicans.
Nucleic Acids Res., 2023
7ZJV
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BU of 7zjv by Molmil
Structure of human USPL1 in covalent complex with DeltaN-SUMO2/3-PA probe
分子名称: CHLORIDE ION, SUMO-specific isopeptidase USPL1, Small ubiquitin-related modifier 2, ...
著者Zhao, Z, Gersch, M.
登録日2022-04-12
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Native Semisynthesis of Isopeptide-Linked Substrates for Specificity Analysis of Deubiquitinases and Ubl Proteases.
J.Am.Chem.Soc., 145, 2023
7ZJU
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BU of 7zju by Molmil
Structure of human USPL1 in covalent complex with SUMO3-2Br probe
分子名称: 2-bromanylethanamine, CALCIUM ION, CHLORIDE ION, ...
著者Zhao, Z, Gersch, M.
登録日2022-04-12
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Native Semisynthesis of Isopeptide-Linked Substrates for Specificity Analysis of Deubiquitinases and Ubl Proteases.
J.Am.Chem.Soc., 145, 2023
8B23
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BU of 8b23 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 600-seconds post reaction initiation with Na+
分子名称: DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION
著者Strauss, J, Vidilaseris, K, Goldman, A.
登録日2022-09-12
公開日2024-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (3.84 Å)
主引用文献Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8B24
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BU of 8b24 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 3600-seconds post reaction initiation with Na+
分子名称: DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION, ...
著者Strauss, J, Vidilaseris, K, Goldman, A.
登録日2022-09-12
公開日2024-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (4.53 Å)
主引用文献Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8B21
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BU of 8b21 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 0-60-seconds post reaction initiation with Na+
分子名称: DI(HYDROXYETHYL)ETHER, DODECYL-BETA-D-MALTOSIDE, K(+)-stimulated pyrophosphate-energized sodium pump, ...
著者Strauss, J, Vidilaseris, K, Goldman, A.
登録日2022-09-12
公開日2024-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8B22
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BU of 8b22 by Molmil
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 300-seconds post reaction initiation with Na+
分子名称: DIPHOSPHATE, K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION
著者Strauss, J, Vidilaseris, K, Goldman, A.
登録日2022-09-12
公開日2024-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (3.98 Å)
主引用文献Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
8B1V
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BU of 8b1v by Molmil
Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga
分子名称: Dihydroprecondylocarpine acetate synthase 2, ZINC ION, precondylocarpine acetate
著者Langley, C, Basquin, J, Caputi, L, O'Connor, S.E.
登録日2022-09-12
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
8AHW
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BU of 8ahw by Molmil
Structure of DCS-resistant variant D322N of alanine racemase from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, Alanine racemase, GLYCEROL
著者de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S.
登録日2022-07-22
公開日2023-04-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
8ASM
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BU of 8asm by Molmil
Cobalt(II) bound to a non-canonical quadruplex
分子名称: COBALT (II) ION, COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
著者Lambert, M.C, Hall, J.P.
登録日2022-08-19
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8ASO
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BU of 8aso by Molmil
Nickel(II) bound to a non-canonical quadruplex
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), NICKEL (II) ION
著者Lambert, M.C, Hall, J.P.
登録日2022-08-19
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8AZC
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BU of 8azc by Molmil
Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, Papain-like protease nsp3
著者Sander, S, Tidow, H, Fliegert, R, Sandmann, M.
登録日2022-09-05
公開日2023-09-13
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
To Be Published
8B0W
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BU of 8b0w by Molmil
Galectin-1 in Complex with Ligand MG49
分子名称: BETA-MERCAPTOETHANOL, Galectin-1, SULFATE ION, ...
著者Grimm, C, Mut, J, Seibel, J.
登録日2022-09-08
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Galectin-1 in Complex with Ligand MG49
To Be Published
8AMS
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BU of 8ams by Molmil
Complex of human TRIM2 RING domain, UBCH5C, and Ubiquitin
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, Polyubiquitin-C, ...
著者Perez-Borrajero, C, Kotova, I, Murciano, B, Hennig, J.
登録日2022-08-04
公開日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and biophysical studies of TRIM2 and TRIM3
To Be Published
8AKM
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BU of 8akm by Molmil
Acyl-enzyme complex of ertapenem bound to deacylation mutant KPC-2 (E166Q)
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, Ertapenem, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-07-29
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
8AKL
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BU of 8akl by Molmil
Acyl-enzyme complex of meropenem bound to deacylation mutant KPC-2 (E166Q)
分子名称: (2S,3R,4R)-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-07-29
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
8AKJ
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BU of 8akj by Molmil
Acyl-enzyme complex of cephalothin bound to deacylation mutant KPC-2 (E166Q)
分子名称: 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-07-29
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
8AKK
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BU of 8akk by Molmil
Acyl-enzyme complex of imipenem bound to deacylation mutant KPC-2 (E166Q)
分子名称: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-07-29
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
8B8H
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BU of 8b8h by Molmil
Structure of DCS-resistant variant D322N of alanine racemase from M. tuberculosis in complex with DCS
分子名称: (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, Alanine racemase, ...
著者de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S.
登録日2022-10-04
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023

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