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6IJX
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BU of 6ijx by Molmil
Crystal Structure of AKR1C1 complexed with meclofenamic acid
分子名称: 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X.
登録日2018-10-12
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
7XWX
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BU of 7xwx by Molmil
Crystal structure of SARS-CoV-2 N-CTD
分子名称: Nucleoprotein, PHOSPHATE ION
著者Luan, X.D, Li, X.M, Li, Y.F.
登録日2022-05-27
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein.
Sci Bull (Beijing), 67, 2022
7YHS
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BU of 7yhs by Molmil
Structure of Csy-AcrIF4-dsDNA
分子名称: AcrIF4, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
著者Feng, Y, Zhang, L.X.
登録日2022-07-14
公開日2023-03-29
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Anti-CRISPR protein AcrIF4 inhibits the type I-F CRISPR-Cas surveillance complex by blocking nuclease recruitment and DNA cleavage.
J.Biol.Chem., 298, 2022
4OPN
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BU of 4opn by Molmil
Crystal structure of mouse glyoxalase I complexed with mAH
分子名称: L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine, Lactoylglutathione lyase, ZINC ION
著者Zhai, J, Zhang, L, Yuan, M, Zhang, H.
登録日2014-02-06
公開日2015-02-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Reversible Inhibition of Glyoxalase I: Synthesis and Activity Evaluation
To be Published
6JV2
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BU of 6jv2 by Molmil
Structure of RyR2 (P/L-Ca2+/Ca2+-CaM dataset)
分子名称: CALCIUM ION, Calmodulin-1, RyR2, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-04-15
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
7X25
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BU of 7x25 by Molmil
MERS-CoV spike complex with S41 neutralizing antibody Fab Class4 (2u1d RBD with 3Fab)
分子名称: Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain
著者Zeng, J, Zhang, S, Zhou, H, Wang, X.
登録日2022-02-25
公開日2023-01-18
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
7X28
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BU of 7x28 by Molmil
MERS-CoV spike complex with S41 neutralizing antibody Fab Class3 (2u1d RBD with 2Fab)
分子名称: Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain
著者Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W.
登録日2022-02-25
公開日2023-01-18
最終更新日2023-01-25
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
7XZO
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BU of 7xzo by Molmil
Formate-tetrahydrofolate ligase in complex with ATP
分子名称: (R,R)-2,3-BUTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Formate--tetrahydrofolate ligase, ...
著者Fang, C.L, Zhang, Y.
登録日2022-06-03
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Identification of FtfL as a novel target of berberine in intestinal bacteria.
Bmc Biol., 21, 2023
7XZN
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BU of 7xzn by Molmil
Formate-tetrahydrofolate ligase from Peptostreptococcus anaerobius
分子名称: 1,2-ETHANEDIOL, Formate--tetrahydrofolate ligase, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Fang, C.L, Zhang, Y.
登録日2022-06-03
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Identification of FtfL as a novel target of berberine in intestinal bacteria.
Bmc Biol., 21, 2023
7XZP
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BU of 7xzp by Molmil
Formate-tetrahydrofolate ligase in complex with berberine
分子名称: BERBERINE, Formate--tetrahydrofolate ligase, PROLINE, ...
著者Fang, C.L, Zhang, Y.
登録日2022-06-03
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Identification of FtfL as a novel target of berberine in intestinal bacteria.
Bmc Biol., 21, 2023
3T3V
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BU of 3t3v by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-87
分子名称: 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A.
登録日2011-07-25
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
3T3U
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BU of 3t3u by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130
分子名称: 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
著者Larson, E.T, Merritt, E.A.
登録日2011-07-25
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
6JII
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BU of 6jii by Molmil
Structure of RyR2 (F/A/C/L-Ca2+/apo-CaM-M dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-21
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JRR
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BU of 6jrr by Molmil
Structure of RyR2 (*F/A/C/L-Ca2+ dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-04-05
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
7XX1
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BU of 7xx1 by Molmil
Crystal structure of SARS-CoV-2 N-NTD
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION
著者Luan, X.D, Li, X.M, Li, Y.F.
登録日2022-05-27
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein.
Sci Bull (Beijing), 67, 2022
7XWZ
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BU of 7xwz by Molmil
Crystal structure of SARS-CoV-2 N-NTD and dsRNA complex
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Nucleoprotein, ...
著者Luan, X.D, Li, X.M, Li, Y.F.
登録日2022-05-27
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein.
Sci Bull (Beijing), 67, 2022
7X26
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BU of 7x26 by Molmil
S41 neutralizing antibody Fab(MERS-CoV)
分子名称: Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain
著者Zeng, J.W, Zhang, S.Y, Wang, X.W.
登録日2022-02-25
公開日2022-11-09
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.685 Å)
主引用文献Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
7X2A
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BU of 7x2a by Molmil
MERS-CoV spike complex with S41 neutralizing antibody Fab Class1 (1u2d RBD with 1Fab)
分子名称: MERS-CoV Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain
著者Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W.
登録日2022-02-25
公開日2022-11-09
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
7X29
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BU of 7x29 by Molmil
MERS-CoV spike complex with S41 neutralizing antibody Fab Class2 (1u2d RBD with 2Fab)
分子名称: Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain
著者Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W.
登録日2022-02-25
公開日2022-11-09
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
6LCG
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BU of 6lcg by Molmil
Structure of D-carbamoylase mutant from Nitratireductor indicus
分子名称: DI(HYDROXYETHYL)ETHER, N-carbamoyl-D-amino-acid hydrolase
著者Liu, Y.F, Ni, Y, Xu, G.C, Dai, W.
登録日2019-11-18
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
3UPZ
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BU of 3upz by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243
分子名称: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-11-18
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UQF
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BU of 3uqf by Molmil
c-SRC kinase domain in complex with BKI RM-1-89
分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Merritt, E.A, Larson, E.T.
登録日2011-11-20
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
6LEI
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BU of 6lei by Molmil
Structure of D-carbamoylase from Nitratireductor indicus
分子名称: 1,2-ETHANEDIOL, N-carbamoyl-D-amino-acid hydrolase
著者Ni, Y, Liu, Y.F, Xu, G.C.
登録日2019-11-25
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
6LHH
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BU of 6lhh by Molmil
Crystal structure of chicken 8mer-BF2*1501
分子名称: ARG-ARG-ARG-GLU-GLN-THR-ASP-TYR, Beta-2-microglobulin, MHC class I
著者Liu, Y.J, Xia, C.
登録日2019-12-08
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献The Combination of CD8 alpha alpha and Peptide-MHC-I in a Face-to-Face Mode Promotes Chicken gamma delta T Cells Response.
Front Immunol, 11, 2020
6LHF
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BU of 6lhf by Molmil
Crystal structure of chicken cCD8aa/pBF2*15:01
分子名称: Beta-2-microglobulin, CD8 alpha chain, MHC class I, ...
著者Liu, Y.J, Xia, C.
登録日2019-12-08
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Combination of CD8 alpha alpha and Peptide-MHC-I in a Face-to-Face Mode Promotes Chicken gamma delta T Cells Response.
Front Immunol, 11, 2020

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