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6LJW
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BU of 6ljw by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-phenylazanylbenzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LK4
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BU of 6lk4 by Molmil
Crystal structure of GMP reductase from Trypanosoma brucei in complex with guanosine 5'-triphosphate
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Guanosine 5'-monophosphate Reductase, PHOSPHATE ION
著者Mase, H, Otani, T, Imamura, A, Nishimura, S, Inui, T.
登録日2019-12-18
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Allosteric regulation accompanied by oligomeric state changes of Trypanosoma brucei GMP reductase through cystathionine-beta-synthase domain.
Nat Commun, 11, 2020
6LI5
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BU of 6li5 by Molmil
Crystal structure of apo-MCR-1-S
分子名称: Probable phosphatidylethanolamine transferase Mcr-1
著者Zhang, Q, Wang, M, Sun, H.
登録日2019-12-10
公開日2020-09-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
6LHT
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BU of 6lht by Molmil
Localized reconstruction of coxsackievirus A16 mature virion in complex with Fab 18A7
分子名称: SPHINGOSINE, VP1 protein, heavy chain variable region of Fab 18A7, ...
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-10
公開日2020-02-05
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LI7
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BU of 6li7 by Molmil
Crystal Structure of Lectin from Pleurotus ostreatus in complex with GalNAc
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Vajravijayan, S, Pletnev, S, Luo, Z, Ankur, T, Gunasekaran, K, Nandhagopal, N.
登録日2019-12-10
公開日2020-08-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Crystallographic and calorimetric analysis on Pleurotus ostreatus lectin and its sugar complexes - promiscuous binding driven by geometry.
Int.J.Biol.Macromol., 152, 2020
6LIJ
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BU of 6lij by Molmil
Crassostrea gigas ferritin
分子名称: Ferritin, MAGNESIUM ION
著者Li, H, Zang, J, Tan, X, Wang, Z, Du, M.
登録日2019-12-11
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crassostrea gigas ferritin
To Be Published
6LII
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BU of 6lii by Molmil
A quinone oxidoreductase
分子名称: Synaptic vesicle membrane protein VAT-1 homolog
著者Hakoshima, T, Kim, S.-Y, Mori, T.
登録日2019-12-11
公開日2021-01-20
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 vesicle amine transport-1 (VAT-1) as a member of the NADPH-dependent quinone oxidoreductase family.
Sci Rep, 11, 2021
6LJ3
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BU of 6lj3 by Molmil
full length ASFV dUTPase in complex with alpha,beta-iminodUTP and magnesium ion
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, E165R, MAGNESIUM ION
著者Liang, R, Peng, G.Q.
登録日2019-12-13
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
6LJE
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BU of 6lje by Molmil
Crystal structure of gelsolin G3 domain (calcium and magnesium condition)
分子名称: CALCIUM ION, GLYCEROL, Gelsolin
著者Takeda, S.
登録日2019-12-14
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel inter-domain Ca2+-binding site in the gelsolin superfamily protein fragmin.
J.Muscle Res.Cell.Motil., 41, 2020
6LJO
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BU of 6ljo by Molmil
African swine fever virus dUTPase
分子名称: E165R
著者Liang, R, Peng, G.Q.
登録日2019-12-17
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
6LJT
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BU of 6ljt by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LK6
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BU of 6lk6 by Molmil
MLKL mutant - T357AS358A
分子名称: Mixed lineage kinase domain-like protein
著者Wang, H, Li, S, Zhang, Y.
登録日2019-12-18
公開日2020-12-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The MLKL kinase-like domain dimerization is an indispensable step of mammalian MLKL activation in necroptosis signaling.
Cell Death Dis, 12, 2021
6L35
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BU of 6l35 by Molmil
PSI-LHCI Supercomplex from Physcometrella patens
分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Zhao, L, Yan, Q.J, Qin, X.C.
登録日2019-10-09
公開日2021-02-10
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Antenna arrangement and energy-transfer pathways of PSI-LHCI from the moss Physcomitrella patens.
Cell Discov, 7, 2021
6LBM
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BU of 6lbm by Molmil
Crystal Structure of FOXC2-DBD bound to a palindromic DNA sequence
分子名称: Forkhead box protein C2, IRE0, MAGNESIUM ION
著者Li, J, Dai, S.Y.
登録日2019-11-14
公開日2021-02-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.841 Å)
主引用文献Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
6LBI
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BU of 6lbi by Molmil
Crystal Structure of FOXO1-DBD homodimer bound to a palindromic DNA sequence
分子名称: Forkhead box protein O1, IRE0
著者Li, J, Dai, S.Y, Chen, Y.H.
登録日2019-11-14
公開日2021-02-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.067 Å)
主引用文献Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
6L2U
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BU of 6l2u by Molmil
Soluble methane monooxygenase reductase FAD-binding domain from Methylosinus sporium.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Methane monooxygenase
著者Park, J.H, Ha, S.C, Rao, Z, Yoo, H, Yoon, C, Kim, S.Y, Kim, D.S, Lee, S.J.
登録日2019-10-07
公開日2021-03-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Elucidation of the electron transfer environment in the MMOR FAD-binding domain from Methylosinus sporium 5.
Dalton Trans, 50, 2021
6LIZ
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BU of 6liz by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss02120
分子名称: (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ7
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BU of 6lj7 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss05010
分子名称: 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJL
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BU of 6ljl by Molmil
Crystal Structure of exoHep-Y390A/H555A complexed with a tetrasaccharide substrate
分子名称: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein
著者Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z.
登録日2019-12-17
公開日2020-12-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery of exolytic heparinases and their catalytic mechanism and potential application.
Nat Commun, 12, 2021
6L9Z
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BU of 6l9z by Molmil
338 bp di-nucleosome assembled with linker histone H1.X
分子名称: CALCIUM ION, CHLORIDE ION, DNA (338-MER), ...
著者Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A.
登録日2019-11-11
公開日2021-02-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Engineering nucleosomes for generating diverse chromatin assemblies.
Nucleic Acids Res., 49, 2021
6LCY
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BU of 6lcy by Molmil
Crystal structure of Synaptotagmin-7 C2B in complex with IP6
分子名称: INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-7
著者Zhang, Y, Zhang, X, Rao, F, Wang, C.
登録日2019-11-20
公開日2021-03-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献5-IP 7 is a GPCR messenger mediating neural control of synaptotagmin-dependent insulin exocytosis and glucose homeostasis.
Nat Metab, 3, 2021
6LAB
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BU of 6lab by Molmil
169 bp nucleosome, harboring cohesive DNA termini, assembled with linker histone H1.0
分子名称: CALCIUM ION, CHLORIDE ION, DNA (169-MER), ...
著者Adhireksan, Z, Sharma, D, Bao, Q, Lee, P.L, Padavattan, S, Davey, C.A.
登録日2019-11-12
公開日2021-02-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Engineering nucleosomes for generating diverse chromatin assemblies.
Nucleic Acids Res., 49, 2021
6LA2
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BU of 6la2 by Molmil
343 bp di-nucleosome harboring cohesive DNA termini assembled with linker histone H1.0
分子名称: DNA (343-MER), Histone H1.0, Histone H2A type 1-B/E, ...
著者Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A.
登録日2019-11-11
公開日2021-02-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.89 Å)
主引用文献Engineering nucleosomes for generating diverse chromatin assemblies.
Nucleic Acids Res., 49, 2021
6LF8
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BU of 6lf8 by Molmil
Crystal structure of pSLA-1*0401 complex with dodecapeptide RVEDVTNTAEYW
分子名称: ARG-VAL-GLU-ASP-VAL-THR-ASN-THR-ALA-GLU-TYR-TRP, Beta-2-microglobulin, MHC class I antigen
著者Wei, X.H, Wang, S, Zhang, N.Z, Xia, C.
登録日2019-11-30
公開日2021-03-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and Peptidomes of Swine MHC Class I with Long Peptides Reveal the Cross-Species Characteristics of the Novel N-Terminal Extension Presentation Mode.
J Immunol., 208, 2022
6LER
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BU of 6ler by Molmil
169 bp nucleosome harboring non-identical cohesive DNA termini.
分子名称: CALCIUM ION, DNA (169-MER), Histone H2A type 1-B/E, ...
著者Sharma, D, Adhireksan, Z, Lee, P.L, Davey, C.A.
登録日2019-11-26
公開日2021-03-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Engineering nucleosomes for generating diverse chromatin assemblies.
Nucleic Acids Res., 49, 2021

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件を2025-07-09に公開中

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