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7WIC
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BU of 7wic by Molmil
Cryo-EM structure of the SS-14-bound human SSTR2-Gi1 complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Chen, L, Wang, W, Dong, Y, Shen, D, Guo, J, Qin, J, Zhang, H, Shen, Q, Zhang, Y, Mao, C.
登録日2022-01-03
公開日2022-06-01
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structures of the endogenous peptide- and selective non-peptide agonist-bound SSTR2 signaling complexes.
Cell Res., 32, 2022
7WIG
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BU of 7wig by Molmil
Cryo-EM structure of the L-054,264-bound human SSTR2-Gi1 complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Chen, L, Wang, W, Dong, Y, Shen, D, Guo, J, Qin, J, Zhang, H, Shen, Q, Zhang, Y, Mao, C.
登録日2022-01-03
公開日2022-06-01
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structures of the endogenous peptide- and selective non-peptide agonist-bound SSTR2 signaling complexes.
Cell Res., 32, 2022
7E16
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BU of 7e16 by Molmil
crystal structure of GDSL esterase from Geobacillus thermodenitrificans
分子名称: GDSL-family esterase
著者Chen, L.
登録日2021-01-31
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Rational engineering of substrate selectivity of GDSL esterase from Geobacillus thermodenitrificans
To Be Published
1D8F
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BU of 1d8f by Molmil
CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A PIPERAZINE BASED INHIBITOR.
分子名称: CALCIUM ION, N-HYDROXY-1-(4-METHOXYPHENYL)SULFONYL-4-BENZYLOXYCARBONYL-PIPERAZINE-2-CARBOXAMIDE, STROMELYSIN-1 PRECURSOR, ...
著者Cheng, M.Y, De, B, Pikul, S, Almstead, N.G, Natchus, M.G, Anastasio, M.V, McPhail, S.J, Snider, C.E, Taiwo, Y.O, Chen, L.Y.
登録日1999-10-22
公開日2000-10-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of piperazine-based matrix metalloproteinase inhibitors.
J.Med.Chem., 43, 2000
6WJ5
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BU of 6wj5 by Molmil
Structure of human TRPA1 in complex with inhibitor GDC-0334
分子名称: (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1
著者Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H.
登録日2020-04-11
公開日2021-02-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
8ZC2
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BU of 8zc2 by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (7.82 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike
To be published
8ZC6
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BU of 8zc6 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (6.85 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike
To be published
4RX4
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BU of 4rx4 by Molmil
Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC134 in complex with HIV-1 clade A Q842.d12 gp120
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC134 Heavy chain, ...
著者Zhou, T, Acharya, P, Moquin, S, Kwong, P.D.
登録日2014-12-08
公開日2015-07-01
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell(Cambridge,Mass.), 161, 2015
4RWY
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BU of 4rwy by Molmil
Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC131 in complex with HIV-1 clade B YU2 gp120
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Acharya, P, Luongo, T.S, Kwong, P.D.
登録日2014-12-08
公開日2015-07-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.128 Å)
主引用文献Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell(Cambridge,Mass.), 161, 2015
1GHS
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BU of 1ghs by Molmil
THE THREE-DIMENSIONAL STRUCTURES OF TWO PLANT BETA-GLUCAN ENDOHYDROLASES WITH DISTINCT SUBSTRATE SPECIFICITIES
分子名称: 1,3-BETA-GLUCANASE
著者Garrett, T.P.J, Varghese, J.N.
登録日1993-10-12
公開日1994-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Three-dimensional structures of two plant beta-glucan endohydrolases with distinct substrate specificities.
Proc.Natl.Acad.Sci.USA, 91, 1994
1GHR
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BU of 1ghr by Molmil
THE THREE-DIMENSIONAL STRUCTURES OF TWO PLANT BETA-GLUCAN ENDOHYDROLASES WITH DISTINCT SUBSTRATE SPECIFICITIES
分子名称: 1,3-1,4-BETA-GLUCANASE
著者Varghese, J.N, Garrett, T.P.J.
登録日1993-10-11
公開日1994-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-dimensional structures of two plant beta-glucan endohydrolases with distinct substrate specificities.
Proc.Natl.Acad.Sci.USA, 91, 1994
4X48
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BU of 4x48 by Molmil
Crystal structure of GluR2 ligand-binding core
分子名称: GLUTAMIC ACID, Glutamate receptor 2, N-{(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide, ...
著者Pandit, J.
登録日2014-12-02
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The Discovery and Characterization of the alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptor Potentiator N-{(3S,4S)-4-[4-(5-Cyano-2-thienyl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide (PF-04958242).
J.Med.Chem., 58, 2015
4W63
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BU of 4w63 by Molmil
TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Pesaresi, A, Samez, S, Lamba, D.
登録日2014-08-20
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography.
J.Med.Chem., 59, 2016
5V7J
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BU of 5v7j by Molmil
Crystal Structure at 3.7 A Resolution of Glycosylated HIV-1 Clade A BG505 SOSIP.664 Prefusion Env Trimer with Four Glycans (N197, N276, N362, and N462) removed in Complex with Neutralizing Antibodies 3H+109L and 35O22.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 35O22 Fab heavy chain, ...
著者Stewart-Jones, G.B.E, Zhou, T, Kwong, P.D.
登録日2017-03-20
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.907 Å)
主引用文献Quantification of the Impact of the HIV-1-Glycan Shield on Antibody Elicitation.
Cell Rep, 19, 2017
6AKO
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BU of 6ako by Molmil
Crystal Structure of FOXC2 DBD Bound to DBE2 DNA
分子名称: DNA (5'-D(CP*AP*AP*AP*AP*TP*GP*TP*AP*AP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(TP*CP*TP*TP*GP*TP*TP*TP*AP*CP*AP*TP*TP*TP*TP*G)-3'), Forkhead box protein C2, ...
著者Chen, X, Wei, H, Li, J, Liang, X, Dai, S, Jiang, L, Guo, M, Chen, Y.
登録日2018-09-03
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Structural basis for DNA recognition by FOXC2.
Nucleic Acids Res., 47, 2019
6AKP
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BU of 6akp by Molmil
Crystal Structural of FOXC2 DNA binding domain bound to PC promoter
分子名称: DNA (5'-D(AP*CP*AP*CP*AP*AP*AP*TP*AP*TP*TP*TP*GP*TP*GP*T)-3'), Forkhead box protein C2, MAGNESIUM ION
著者Chen, X, Wei, H, Li, J, Liang, X, Dai, S, Jiang, L, Guo, M, Chen, Y.
登録日2018-09-03
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.323 Å)
主引用文献Structural basis for DNA recognition by FOXC2.
Nucleic Acids Res., 47, 2019
8KHC
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BU of 8khc by Molmil
SARS-CoV-2 Omicron spike in complex with 5817 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817 Fab, ...
著者Cao, L, Wang, X.
登録日2023-08-21
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
8KHD
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BU of 8khd by Molmil
The interface structure of Omicron RBD binding to 5817 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817, Light chain of 5817, ...
著者Cao, L, Wang, X.
登録日2023-08-21
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
5DH3
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BU of 5dh3 by Molmil
Crystal structure of MST2 in complex with XMU-MP-1
分子名称: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ...
著者Kong, L.L, Yun, C.H.
登録日2015-08-29
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.468 Å)
主引用文献Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
3UBU
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BU of 3ubu by Molmil
Crystal structure of agkisacucetin, a GpIb-binding snaclec (snake C-type lectin) that inhibits platelet
分子名称: Agglucetin subunit alpha-1, Agglucetin subunit beta-2, GLYCEROL, ...
著者Gao, Y, Ge, H, Chen, H, Li, H, Liu, Y, Niu, L, Teng, M.
登録日2011-10-25
公開日2012-04-11
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of agkisacucetin, a Gpib-binding snake C-type lectin that inhibits platelet adhesion and aggregation.
Proteins, 2012
5XFJ
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BU of 5xfj by Molmil
Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550M)
分子名称: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
著者Wu, D, Chen, Y.
登録日2017-04-10
公開日2018-08-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
5XFF
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BU of 5xff by Molmil
Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550L)
分子名称: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
著者Wu, D, Chen, Y.
登録日2017-04-10
公開日2018-09-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
1E5D
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BU of 1e5d by Molmil
RUBREDOXIN OXYGEN:OXIDOREDUCTASE (ROO) FROM ANAEROBE DESULFOVIBRIO GIGAS
分子名称: FLAVIN MONONUCLEOTIDE, MU-OXO-DIIRON, OXYGEN MOLECULE, ...
著者Frazao, C, Silva, G, Gomes, C.M, Matias, P, Coelho, R, Sieker, L, Macedo, S, Liu, M.Y, Oliveira, S, Teixeira, M, Xavier, A.V, Rodrigues-Pousada, C, Carrondo, M.A, Le Gall, J.
登録日2000-07-24
公開日2000-11-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a Dioxygen Reduction Enzyme from Desulfovibrio Gigas
Nat.Struct.Biol., 7, 2000
6IE2
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BU of 6ie2 by Molmil
Crystal structure of methyladenine demethylase
分子名称: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, Nucleic acid dioxygenase ALKBH1
著者Tian, L.F, Tang, Q, Chen, Z.Z, Yan, X.X.
登録日2018-09-13
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of nucleic acid recognition and 6mA demethylation by human ALKBH1.
Cell Res., 30, 2020
6IE3
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BU of 6ie3 by Molmil
Crystal structure of methyladenine demethylase
分子名称: ETHANOL, MANGANESE (II) ION, Nucleic acid dioxygenase ALKBH1
著者Tian, L.F, Tang, Q, Chen, Z.Z, Yan, X.X.
登録日2018-09-13
公開日2019-09-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural basis of nucleic acid recognition and 6mA demethylation by human ALKBH1.
Cell Res., 30, 2020

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