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7M10
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PHF2 PHD Domain Complexed with Peptide From N-terminus of VRK1
分子名称: FORMIC ACID, Lysine-specific demethylase PHF2, Serine/threonine-protein kinase VRK1 N-terminus peptide, ...
著者Horton, J.R, Cheng, X.
登録日2021-03-11
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Histone H3 N-terminal mimicry drives a novel network of methyl-effector interactions.
Biochem.J., 478, 2021
4QO4
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BU of 4qo4 by Molmil
co-crystal structure of MDM2 (17-111) with compound 16, {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-(6-CYCLOPROPYLPYRIDIN-2-YL)PROPYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2014-06-19
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Potent and Simplified Piperidinone-Based Inhibitors of the MDM2-p53 Interaction.
ACS Med Chem Lett, 5, 2014
7Y9Z
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BU of 7y9z by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike protein (S-6P-RRAR) in complex with human ACE2 ectodomain (one-RBD-up state)
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, Processed angiotensin-converting enzyme 2, ...
著者Gao, G.F, Qi, J.X, Liu, S, Zhao, Z.N.
登録日2022-06-26
公開日2022-09-21
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
7YAD
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BU of 7yad by Molmil
Cryo-EM structure of S309-RBD-RBD-S309 in the S309-bound Omicron spike protein (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S309 neutralizing antibody heavy chain, S309 neutralizing antibody light chain, ...
著者Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, F.
登録日2022-06-27
公開日2022-08-31
最終更新日2022-09-07
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
7Y9S
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BU of 7y9s by Molmil
Cryo-EM structure of apo SARS-CoV-2 Omicron spike protein (S-2P-GSAS)
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, Spike glycoprotein
著者Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
登録日2022-06-26
公開日2022-08-31
最終更新日2022-09-07
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
7YA1
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BU of 7ya1 by Molmil
Cryo-EM structure of hACE2-bound SARS-CoV-2 Omicron spike protein with L371S, P373S and F375S mutations (local refinement)
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, Angiotensin-converting enzyme 2, ...
著者Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
登録日2022-06-27
公開日2022-08-31
最終更新日2022-09-07
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
7YA0
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Cryo-EM structure of hACE2-bound SARS-CoV-2 Omicron spike protein with L371S, P373S and F375S mutations (S-6P-RRAR)
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, Processed angiotensin-converting enzyme 2, ...
著者Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
登録日2022-06-26
公開日2022-09-21
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
8G05
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BU of 8g05 by Molmil
Cryo-EM structure of an orphan GPCR-Gi protein signaling complex
分子名称: 6-(octylamino)pyrimidine-2,4(3H,5H)-dione, CHOLESTEROL, G-protein coupled receptor 84, ...
著者Zhang, X, Wang, Y.J, Li, X, Liu, G.B, Gong, W.M, Zhang, C.
登録日2023-01-31
公開日2023-11-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Pro-phagocytic function and structural basis of GPR84 signaling.
Nat Commun, 14, 2023
7V26
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BU of 7v26 by Molmil
XG005-bound SARS-CoV-2 S
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, XG005 Heavy chain, ...
著者Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G.
登録日2021-08-07
公開日2021-10-20
最終更新日2022-07-06
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
7V2A
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BU of 7v2a by Molmil
SARS-CoV-2 Spike trimer in complex with XG014 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ...
著者Wang, K, Wang, X, Pan, L.
登録日2021-08-07
公開日2021-10-20
最終更新日2022-07-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
7DL3
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BU of 7dl3 by Molmil
The structure of 3,5-DAHDHcca complex with NADPH
分子名称: 3,5-diaminohexanoate dehydrogenase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Liu, N, Wu, L, Zhu, D.M, Zhou, J.H.
登録日2020-11-25
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84606934 Å)
主引用文献Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids.
Angew.Chem.Int.Ed.Engl., 60, 2021
7DL7
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BU of 7dl7 by Molmil
The wild-type structure of 3,5-DAHDHcca
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,5-diaminohexanoate dehydrogenase, ...
著者Liu, N, Wu, L, Zhu, D.M, Zhou, J.H.
登録日2020-11-26
公開日2021-09-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.30065823 Å)
主引用文献Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids.
Angew.Chem.Int.Ed.Engl., 60, 2021
7DL0
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BU of 7dl0 by Molmil
The mutant E310G/A314Y of 3,5-DAHDHcca complex with NADPH
分子名称: 1,2-ETHANEDIOL, 3,5-diaminohexanoate dehydrogenase, CHLORIDE ION, ...
著者Liu, N, Wu, L, Zhu, D.M, Zhou, J.H.
登録日2020-11-25
公開日2021-09-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids.
Angew.Chem.Int.Ed.Engl., 60, 2021
7DL1
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BU of 7dl1 by Molmil
The mutant E310G/G323S structure of 3,5-DAHDHcca complex with NADPH
分子名称: 3,5-diaminohexanoate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Liu, N, Wu, L, Zhu, D.M, Zhou, J.H.
登録日2020-11-25
公開日2021-09-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids.
Angew.Chem.Int.Ed.Engl., 60, 2021
8HWT
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BU of 8hwt by Molmil
SARS-CoV-2 Omicron BA.2 RBD complexed with BD-604 and S304 Fab
分子名称: BD-604 heavy chain, BD-604 light chain, S304 heavy chain, ...
著者He, Q.W, Xie, Y.
登録日2023-01-02
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB.
Cell Rep Med, 4, 2023
8HWS
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BU of 8hws by Molmil
The complex structure of Omicron BA.4 RBD with BD604, S309, and S304
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab Heavy chain, BD-604 Fab Light chain, ...
著者He, Q.W, Xu, Z.P, Xie, Y.F.
登録日2023-01-02
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (2.36 Å)
主引用文献An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB.
Cell Rep Med, 4, 2023
7VOC
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BU of 7voc by Molmil
The crystal structure of a Radical SAM Enzyme BlsE involved in the Biosynthesis of Blasticidin S
分子名称: (2~{S},3~{S},4~{S},5~{R},6~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid, Cytosylglucuronate decarboxylase, GLYCEROL, ...
著者Hou, X.L, Zhou, J.H.
登録日2021-10-13
公開日2022-05-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.62005424 Å)
主引用文献Radical S -Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S.
J.Am.Chem.Soc., 144, 2022
7VOB
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BU of 7vob by Molmil
The crystal structure of a Radical SAM Enzyme BlsE involved in the Biosynthesis of Blasticidin S
分子名称: CHLORIDE ION, Cytosylglucuronate decarboxylase, GLYCEROL, ...
著者Hou, X.L, Zhou, J.H.
登録日2021-10-13
公開日2022-05-04
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.092241 Å)
主引用文献Radical S -Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S.
J.Am.Chem.Soc., 144, 2022
5GWD
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BU of 5gwd by Molmil
Structure of Myroilysin
分子名称: Myroilysin, ZINC ION
著者Xu, D, Ran, T, Wang, W.
登録日2016-09-10
公開日2017-02-15
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Myroilysin Is a New Bacterial Member of the M12A Family of Metzincin Metallopeptidases and Is Activated by a Cysteine Switch Mechanism.
J. Biol. Chem., 292, 2017
5I4V
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BU of 5i4v by Molmil
Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists
分子名称: Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2, Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2, {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol
著者Chen, G, McKeever, B.M.
登録日2016-02-12
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) beta Agonist.
J.Med.Chem., 59, 2016
4QOC
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BU of 4qoc by Molmil
crystal structure of compound 16 bound to MDM2(17-111), {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOPROPYL-2-(PYRROLIDIN-1-YLSULFONYL)ETHYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2014-06-19
公開日2015-05-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction.
Bioorg.Med.Chem.Lett., 24, 2014
7WZV
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BU of 7wzv by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
分子名称: (1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{R},4~{S},6~{R})-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-cyclohexane-1,3,5-triol, 1,2-ETHANEDIOL, 4Fe-4S cluster-binding domain-containing protein, ...
著者Zhou, J.H, Hou, X.L.
登録日2022-02-19
公開日2022-12-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.899313 Å)
主引用文献Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
7WZX
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BU of 7wzx by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
分子名称: (2~{S},4~{S},6~{R})-2-[(2~{S},3~{R},5~{S},6~{R})-3,5-bis(methylamino)-2,4,6-tris(oxidanyl)cyclohexyl]oxy-6-methyl-4-oxidanyl-oxan-3-one, 4Fe-4S cluster-binding domain-containing protein, GLYCEROL, ...
著者Hou, X.L, Zhou, J.H.
登録日2022-02-19
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.980013 Å)
主引用文献Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
7X0B
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BU of 7x0b by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
分子名称: 4Fe-4S cluster-binding domain-containing protein, CHLORIDE ION, GLYCEROL, ...
著者Hou, X.L, Zhou, J.H.
登録日2022-02-21
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.02027535 Å)
主引用文献Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
3OBR
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BU of 3obr by Molmil
Crystal structure of Botulinum neurotoxin serotype D binding domain
分子名称: Botulinum neurotoxin type D, GLYCEROL
著者Zong, Y, Lee, K.K, Jin, R.
登録日2010-08-09
公開日2010-09-08
最終更新日2014-04-16
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Botulinum neurotoxin serotype D attacks neurons via two carbohydrate-binding sites in a ganglioside-dependent manner.
Biochem.J., 431, 2010

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