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6MYV
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BU of 6myv by Molmil
Sialidase26 co-crystallized with DANA-Gc
分子名称: 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid, Sialidase26
著者Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Huang, J, Siegel, D, Chang, G, Varki, A, Zengler, K.
登録日2018-11-02
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
6RPQ
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BU of 6rpq by Molmil
Crystal structure of PhoCDC21-1 intein
分子名称: Ubiquitin-like protein SMT3,1108aa long hypothetical cell division control protein
著者Beyer, H.M, Mikula, K.M, Iwai, H.
登録日2019-05-14
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.654 Å)
主引用文献Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site.
Extremophiles, 23, 2019
6PW8
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BU of 6pw8 by Molmil
Hydrocarbon-Stapled Paxillin Peptide Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
分子名称: CHLORIDE ION, Focal adhesion kinase 1, SP3, ...
著者Thifault, D.G, Fromme, P, Martin-Garcia, J.M.
登録日2019-07-22
公開日2020-07-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Stapled Peptide Ligand Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
To Be Published
8G8F
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BU of 8g8f by Molmil
Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction
分子名称: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ...
著者O'Neill, A.G, Kollman, J.M.
登録日2023-02-17
公開日2023-04-19
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
7LM4
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BU of 7lm4 by Molmil
The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W.
登録日2021-02-05
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
8G9B
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BU of 8g9b by Molmil
Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
著者O'Neill, A.G, Kollman, J.M.
登録日2023-02-21
公開日2023-04-19
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
9EM1
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BU of 9em1 by Molmil
Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone and phosphate
分子名称: 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, Chronophin, GLYCEROL, ...
著者Brenner, M, Gohla, A, Schindelin, H.
登録日2024-03-07
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase.
Elife, 13, 2024
7TEH
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BU of 7teh by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2
分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2022-01-05
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
7TDU
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BU of 7tdu by Molmil
Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1
分子名称: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2022-01-03
公開日2022-03-02
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
主引用文献Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
6XR3
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BU of 6xr3 by Molmil
X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
分子名称: 3C-like proteinase, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Anson, B, Ghosh, A.K, Mesecar, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-07-10
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
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
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2024-06-19
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
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
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
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
5WO1
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BU of 5wo1 by Molmil
Chaperone Spy H96L bound to Im7 L18A L19A L37A (Im7 un-modeled)
分子名称: CHLORIDE ION, GLUTAMIC ACID, IMIDAZOLE, ...
著者Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
登録日2017-08-01
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
5WO2
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BU of 5wo2 by Molmil
Chaperone Spy bound to Casein Fragment (Casein un-modeled)
分子名称: CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ...
著者Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
登録日2017-08-01
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.769 Å)
主引用文献Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
5WO3
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BU of 5wo3 by Molmil
Chaperone Spy bound to Im7 (Im7 un-modeled)
分子名称: CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ...
著者Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
登録日2017-08-01
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
7C7J
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BU of 7c7j by Molmil
Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(G12V,Q63E)
分子名称: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xiao, L.X, Pan, L.F.
登録日2020-05-25
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3.
Chin.J.Chem., 38, 2020
7C7I
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BU of 7c7i by Molmil
Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(E30D,K31E)
分子名称: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xiao, L.X, Pan, L.F.
登録日2020-05-25
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3.
Chin.J.Chem., 38, 2020
6ZNW
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BU of 6znw by Molmil
Methanosaeta concilii ATP citrate lyase (D541A mutant) in complex with (3S)-citryl-CoA.
分子名称: (3S)-citryl-Coenzyme A, CITRATE ANION, Citrate lyase, ...
著者Verschueren, K.H.G, Verstraete, K.
登録日2020-07-06
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.121 Å)
主引用文献Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase.
Nat.Struct.Mol.Biol., 28, 2021
7BBM
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BU of 7bbm by Molmil
Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX
分子名称: 1,2-ETHANEDIOL, MANGANESE PROTOPORPHYRIN IX, UPF0678 fatty acid-binding protein-like protein At1g79260
著者Minges, A, Sauer, D.F, Wittwer, M, Markel, U, Spiertz, M, Schiffels, J, Davari, M.D, Okuda, J, Schwaneberg, U, Groth, G.
登録日2020-12-18
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Chemogenetic engineering of nitrobindin toward an artificial epoxygenase
Catalysis Science And Technology, 2021
5JJ1
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BU of 5jj1 by Molmil
Structure of the Immature Procapsid Conformation of P22 Portal Protein
分子名称: Portal protein
著者Lokareddy, R.K, Cingolani, G.
登録日2016-04-22
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Portal protein functions akin to a DNA-sensor that couples genome-packaging to icosahedral capsid maturation.
Nat Commun, 8, 2017
5JJ3
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BU of 5jj3 by Molmil
Refined Structure of the Mature Virion Conformation of P22 Portal Protein
分子名称: Portal protein
著者Lokareddy, R.K, Sankhala, R.S, Cingolani, G.
登録日2016-04-22
公開日2017-02-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (7 Å)
主引用文献Portal protein functions akin to a DNA-sensor that couples genome-packaging to icosahedral capsid maturation.
Nat Commun, 8, 2017
6TYF
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BU of 6tyf by Molmil
Crystal structure of MTB sigma L transcription initiation complex with 6 nt long RNA primer
分子名称: DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*AP*TP*CP*GP*AP*GP*GP*GP*T)-3'), DNA (5'-D(P*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Molodtsov, V, Ebright, R.H.
登録日2019-08-08
公開日2020-03-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020

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