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8XAI
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BU of 8xai by Molmil
Crystal structure of Protease CPAVM1 in Bacillus subtilis LjM2
分子名称: Lipoprotein
著者Zhang, J, Wang, C.Y.
登録日2023-12-04
公開日2024-06-19
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Anti-influenza activity of CPAVM1 protease secreted by Bacillus subtilis LjM2.
Antiviral Res., 228, 2024
7LFV
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BU of 7lfv by Molmil
Crystal structure of the SARS CoV-1 Papain-like protease in complex with peptide inhibitor VIR251
分子名称: 1,2-ETHANEDIOL, AMMONIUM ION, CHLORIDE ION, ...
著者Olsen, S.K, Lv, Z.
登録日2021-01-18
公開日2021-11-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献A molecular sensor determines the ubiquitin substrate specificity of SARS-CoV-2 papain-like protease.
Cell Rep, 36, 2021
6DOP
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BU of 6dop by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 120 s at 21 C (dataset 1)
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
7LFU
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BU of 7lfu by Molmil
Crystal structure of the SARS CoV-1 Papain-like protease in complex with peptide inhibitor VIR250
分子名称: Papain-like protease peptide inhibitor VIR250, papain-like protease
著者Olsen, S.K, Lv, Z.
登録日2021-01-18
公開日2021-11-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献A molecular sensor determines the ubiquitin substrate specificity of SARS-CoV-2 papain-like protease.
Cell Rep, 36, 2021
1M3I
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BU of 1m3i by Molmil
Perfringolysin O, new crystal form
分子名称: perfringolysin O
著者Rossjohn, J, Parker, M, Polekhina, G, Feil, S, Tweten, R.
登録日2002-06-28
公開日2004-02-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Snapshots in the Molecular Mechanism of PFO Revealed
To be Published
8XH7
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BU of 8xh7 by Molmil
Structure of EBV LMP1 oligomer
分子名称: Latent membrane protein 1
著者Gao, P, Huang, J.F.
登録日2023-12-17
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Assembly and activation of EBV latent membrane protein 1
To Be Published
8YF1
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BU of 8yf1 by Molmil
Cryo-EM structure of human SV2A in complex with Brivaracetam
分子名称: (2S)-2-[(4R)-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide, Synaptic vesicle glycoprotein 2A
著者Qu, Q, Liu, S, Zhou, Z.
登録日2024-02-23
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Cryo-EM structure of human SV2A in complex with Brivaracetam
To Be Published
6DPK
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BU of 6dpk by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with an RNA/DNA Hybrid: Reaction in 4 mM Mn2+ and 200 mM K+ for 240 s at 21 C
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
8ZH5
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BU of 8zh5 by Molmil
The Crystal Structure of the ROCK1 from Biortus.
分子名称: Rho-associated protein kinase 1
著者Wang, F, Cheng, W, Yuan, Z, Lin, D, Wang, J.
登録日2024-05-10
公開日2024-06-26
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献The Crystal Structure of the ROCK1 from Biortus.
To Be Published
8ZM2
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BU of 8zm2 by Molmil
Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 16
分子名称: [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, methyl (9~{R})-9-oxidanyl-9-(trifluoromethyl)fluorene-4-carboxylate
著者Akai, S, Orita, T, Nomura, A, Adachi, T.
登録日2024-05-22
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase.
Bioorg.Med.Chem.Lett., 109, 2024
9BFY
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BU of 9bfy by Molmil
Tri-complex of Compound-12, KRAS G12C, and CypA
分子名称: (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-04-18
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Tri-complex of Compound-12, KRAS G12C, and CypA
To be published
8ZQ3
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BU of 8zq3 by Molmil
Structure of ORP1L-RAB7A in the presence of GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, Oxysterol-binding protein-related protein 1, Ras-related protein Rab-7a
著者Lu, Q, Zhang, J, Xu, C.
登録日2024-05-31
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure of GDP-bound Rab7 Q67L in complex with ORP1L.
Biochem.Biophys.Res.Commun., 725, 2024
9B8Q
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BU of 9b8q by Molmil
Synaptic Vesicle V-ATPase with synaptophysin and SidK, State 3, peripheral stalks
分子名称: V-type proton ATPase 116 kDa subunit a isoform 1, V-type proton ATPase subunit C 1, V-type proton ATPase subunit E 1, ...
著者Coupland, C.E, Rubinstein, J.L.
登録日2024-03-31
公開日2024-06-26
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献High-resolution electron cryomicroscopy of V-ATPase in native synaptic vesicles.
Science, 2024
7LXH
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BU of 7lxh by Molmil
Bacillus cereus DNA glycosylase AlkD bound to a CC1065-adenine nucleobase adduct and DNA containing an abasic site
分子名称: 7-{7-[(1R)-1-{[(4P)-6-amino-3H-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboxamide, CALCIUM ION, DNA (5'-D(*AP*GP*CP*AP*AP*(ORP)P*GP*GP*C)-3'), ...
著者Mullins, E.A, Eichman, B.F.
登録日2021-03-03
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.667 Å)
主引用文献Structural evolution of a DNA repair self-resistance mechanism targeting genotoxic secondary metabolites.
Nat Commun, 12, 2021
9EUD
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BU of 9eud by Molmil
The FK1 domain of FKBP51 in complex with SAFit-analog 23c
分子名称: (1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Hausch, F.
登録日2024-03-27
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.022 Å)
主引用文献1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
9C0Z
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BU of 9c0z by Molmil
Clathrin terminal domain complexed with pitstop 2d
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V.
登録日2024-05-28
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function
To Be Published
9EY4
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BU of 9ey4 by Molmil
The FK1 domain of FKBP51 in complex with (3S,11S)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxamide
分子名称: (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Krajczy, P, Hausch, F.
登録日2024-04-09
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding proteins.
Chemistry, 2024
8XZD
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BU of 8xzd by Molmil
The structure of fox ACE2 and Omicron BF.7 RBD complex
分子名称: Angiotensin-converting enzyme, Spike protein S1, ZINC ION
著者sun, J.Q.
登録日2024-01-21
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献The structure of fox ACE2 and Omicron BF.7 RBD complex
To Be Published
8YF0
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BU of 8yf0 by Molmil
Cryo-EM structure of human SV2A
分子名称: Synaptic vesicle glycoprotein 2A
著者Qu, Q, Liu, S, Zhou, Z.
登録日2024-02-23
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Cryo-EM structure of human SV2A
To Be Published
8YAX
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BU of 8yax by Molmil
SARS-CoV-2 DMV nsp3-4 pore complex (full-pore)
分子名称: Non-structural protein 4, Papain-like protease nsp3
著者Huang, Y.X, Zhong, L.J, Zhang, W.X, Ni, T.
登録日2024-02-10
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Molecular Architecture of Coronavirus Double Membrane Vesicle Pore Complex
To Be Published
9BBG
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BU of 9bbg by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028671
分子名称: 1,2-ETHANEDIOL, 1H-indol-6-amine, DNA damage-binding protein 1, ...
著者Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-04-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Co-crystal structure of human DDB1 bound to fragment UB028671
To be published
7LXJ
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BU of 7lxj by Molmil
Bacillus cereus DNA glycosylase AlkD bound to a duocarmycin SA-adenine nucleobase adduct and DNA containing an abasic site
分子名称: CALCIUM ION, DNA (5'-D(*AP*GP*CP*AP*AP*(ORP)P*GP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*CP*TP*TP*TP*GP*C)-3'), ...
著者Mullins, E.A, Eichman, B.F.
登録日2021-03-03
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural evolution of a DNA repair self-resistance mechanism targeting genotoxic secondary metabolites.
Nat Commun, 12, 2021
2G0A
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BU of 2g0a by Molmil
X-ray structure of mouse pyrimidine 5'-nucleotidase type 1 with lead(II) bound in active site
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cytosolic 5'-nucleotidase III, LEAD (II) ION
著者Bitto, E, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
登録日2006-02-11
公開日2006-04-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of pyrimidine 5'-nucleotidase type 1. Insight into mechanism of action and inhibition during lead poisoning.
J.Biol.Chem., 281, 2006
9EP1
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BU of 9ep1 by Molmil
Structure of the Integrator arm module containing INTS10/13/14/15 subunits (state 2)
分子名称: Integrator complex subunit 10, Integrator complex subunit 13, Integrator complex subunit 14, ...
著者Razew, M, Galej, W.P.
登録日2024-03-16
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis of the Integrator complex assembly and association with transcription factors.
Mol.Cell, 2024
8ZNE
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BU of 8zne by Molmil
Cryo-EM structure of W89F mutated Glutamate dehydrogenase from Thermococcus profundus in complex with NADP and GLU in the steady stage of reaction
分子名称: GLUTAMIC ACID, Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wakabayashi, T, Nakasako, M.
登録日2024-05-26
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Mechanism for drastic reduction in catalytic activity of Trp89Phe-mutated glutamate dehydrogenase revealed by cryoEM-sampling metastable conformation in action
To Be Published

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件を2024-07-10に公開中

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