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4LKJ
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BU of 4lkj by Molmil
The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with avian receptor analog 3'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4KOM
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BU of 4kom by Molmil
The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with avian receptor analog 3'SLNLN (NeuAcα2-3Galβ1-4GlcNAcβ1-3Galβ1-4Glc)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-05-12
公開日2013-11-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
4LKI
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BU of 4lki by Molmil
The structure of hemagglutinin L226Q mutant from a avian-origin H7N9 influenza virus (A/Anhui/1/2013)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
6ABO
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BU of 6abo by Molmil
human XRCC4 and IFFO1 complex
分子名称: DNA repair protein XRCC4, GLYCEROL, Intermediate filament family orphan 1, ...
著者Li, J, Liu, L, Liang, H, Liu, Y, Xu, D.
登録日2018-07-23
公開日2019-07-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The nucleoskeleton protein IFFO1 immobilizes broken DNA and suppresses chromosome translocation during tumorigenesis.
Nat.Cell Biol., 21, 2019
4HSG
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BU of 4hsg by Molmil
Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- KTD)
分子名称: 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea, PRMT3 protein, UNKNOWN ATOM OR ION
著者Dobrovetsky, E, Dong, A, Liu, F, Li, F, Tempel, W, Siarheyeva, A, Hajian, T, Smil, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2012-10-30
公開日2012-12-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors.
J. Med. Chem., 56, 2013
5GNK
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BU of 5gnk by Molmil
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ...
著者Yan, X.E, Yun, C.H.
登録日2016-07-21
公開日2017-04-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
8AYR
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BU of 8ayr by Molmil
Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota
分子名称: CALCIUM ION, Coagulation factor 5/8 type domain protein
著者Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P.
登録日2022-09-02
公開日2023-03-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria.
Nat Commun, 14, 2023
8AXT
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BU of 8axt by Molmil
Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota
分子名称: CALCIUM ION, CHLORIDE ION, Sialidase domain-containing protein
著者Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P.
登録日2022-08-31
公開日2023-03-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria.
Nat Commun, 14, 2023
8AXS
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BU of 8axs by Molmil
Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota
分子名称: 1,2-ETHANEDIOL, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, ...
著者Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P.
登録日2022-08-31
公開日2023-03-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria.
Nat Commun, 14, 2023
8AXI
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BU of 8axi by Molmil
Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota
分子名称: 1,2-ETHANEDIOL, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, ...
著者Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P.
登録日2022-08-31
公開日2023-03-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria.
Nat Commun, 14, 2023
8WX0
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BU of 8wx0 by Molmil
PNPase of M.tuberculosis with its RNA substrate
分子名称: Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase, RNA (24-mer)
著者Wang, N, Sheng, Y.N.
登録日2023-10-27
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation.
Arch.Biochem.Biophys., 754, 2024
3CD4
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BU of 3cd4 by Molmil
REFINEMENT AND ANALYSIS OF THE FIRST TWO DOMAINS OF HUMAN CD4
分子名称: T CELL SURFACE GLYCOPROTEIN CD4
著者Garrett, T.P.J, Wang, J, Yan, Y, Harrison, S.C.
登録日1992-07-30
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Refinement and analysis of the structure of the first two domains of human CD4
J.Mol.Biol., 234, 1993
8SAI
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BU of 8sai by Molmil
Cryo-EM structure of GPR34-Gi 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Yong, X.H, Zhao, C, Yan, W, Shao, Z.H.
登録日2023-04-01
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
7LH9
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BU of 7lh9 by Molmil
Crystal structure of BRPF2 PWWP domain in complex with DNA
分子名称: Bromodomain-containing protein 1, DNA
著者Zhang, M, Lei, M, Qin, S, Dong, A, Yang, A, Li, Y, Loppnau, P, Hughes, T.R, Arrowsmith, C.H, Edwards, A.M, Min, J, Liu, J, Structural Genomics Consortium (SGC)
登録日2021-01-21
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the BRPF2 PWWP domain in complex with DNA reveals a different binding mode than the HDGF family of PWWP domains.
Biochim Biophys Acta Gene Regul Mech, 1864, 2021
7JPZ
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BU of 7jpz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI1
分子名称: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ5
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BU of 7jq5 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8
分子名称: 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
8UAC
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BU of 8uac by Molmil
CATHEPSIN L IN COMPLEX WITH AC1115
分子名称: Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
著者Chao, A, DuPrez, K.T, Han, F.Q.
登録日2023-09-20
公開日2024-02-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19.
Med, 5, 2024
8X6B
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BU of 8x6b by Molmil
Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG
著者Hu, S.T, Han, P, Wang, H, Qi, J.X.
登録日2023-11-21
公開日2024-04-24
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2.
Structure, 32, 2024
7JQ3
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BU of 7jq3 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI6
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7SUS
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BU of 7sus by Molmil
Crystal structure of Apelin receptor in complex with small molecule
分子名称: (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor, ...
著者Xu, F, Yue, Y, Liu, L.E, Han, G.W, Hanson, M.
登録日2021-11-18
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
7JQ1
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BU of 7jq1 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI4
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
5IWL
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BU of 5iwl by Molmil
CD47-diabody complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5F9 diabody, Leukocyte surface antigen CD47, ...
著者Di, W, Jude, K.M, Garcia, K.C.
登録日2016-03-22
公開日2016-06-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献CD47-blocking immunotherapies stimulate macrophage-mediated destruction of small-cell lung cancer.
J.Clin.Invest., 126, 2016
7EPC
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BU of 7epc by Molmil
Cryo-EM structure of inactive mGlu7 homodimer
分子名称: Isoform 3 of Metabotropic glutamate receptor 7
著者Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q.
登録日2021-04-26
公開日2021-06-23
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
7EPB
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BU of 7epb by Molmil
Cryo-EM structure of LY354740-bound mGlu2 homodimer
分子名称: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, Anti-RON nanobody, Metabotropic glutamate receptor 2
著者Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q.
登録日2021-04-26
公開日2021-06-23
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
7EPA
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BU of 7epa by Molmil
Cryo-EM structure of inactive mGlu2 homodimer
分子名称: Metabotropic glutamate receptor 2
著者Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q.
登録日2021-04-26
公開日2021-06-23
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021

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