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3L5U
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BU of 3l5u by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with benzothiazole inhibitor at 1.90A resolution
分子名称: 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE, Macrophage migration inhibitory factor, SULFATE ION
著者McLean, L, Zhang, Y.
登録日2009-12-22
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
2Q8Y
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BU of 2q8y by Molmil
Structural insight into the enzymatic mechanism of the phophothreonine lyase
分子名称: 27.5 kDa virulence protein, Mitogen-activated protein kinase 7
著者Zhu, Y.-Q, Wang, D.-C, Shao, F.
登録日2007-06-12
公開日2007-12-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into the enzymatic mechanism of the pathogenic MAPK phosphothreonine lyase
Mol.Cell, 28, 2007
3L5S
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BU of 3l5s by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with imidazopyrimidinylphenyl inhibitor at 1.86A resolution
分子名称: 5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one, Macrophage migration inhibitory factor, SULFATE ION
著者McLean, L, Zhang, Y.
登録日2009-12-22
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
5VNB
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BU of 5vnb by Molmil
YEATS in complex with histone H3
分子名称: 1,2-ETHANEDIOL, H3K23acK27ac peptide, SULFATE ION, ...
著者Cho, H.J, Cierpicki, T.
登録日2017-04-29
公開日2018-09-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献GAS41 Recognizes Diacetylated Histone H3 through a Bivalent Binding Mode.
ACS Chem. Biol., 13, 2018
3L5V
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BU of 3l5v by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with glycerol at 1.70A resolution
分子名称: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION
著者McLean, L, Zhang, Y.
登録日2009-12-22
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3DJY
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BU of 3djy by Molmil
Nonaged Form of Human Butyrylcholinesterase Inhibited by Tabun
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Carletti, E, Nachon, F.
登録日2008-06-24
公開日2008-12-02
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
6ASY
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BU of 6asy by Molmil
BiP-ATP2
分子名称: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L.
登録日2017-08-26
公開日2017-12-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s.
Nat Commun, 8, 2017
6IG9
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BU of 6ig9 by Molmil
Tra1 subunit from Saccharomyces cerevisiae SAGA complex
分子名称: Transcription-associated protein 1
著者Zheng, X.D, Liu, G.C, Guan, H.P, Li, H.T.
登録日2018-09-25
公開日2019-05-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Architecture ofSaccharomyces cerevisiaeSAGA complex.
Cell Discov, 5, 2019
6JAU
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BU of 6jau by Molmil
The complex structure of Pseudomonas aeruginosa MucA/MucB.
分子名称: CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
著者Li, T, He, L.H, Li, C.C, Liu, L, Peng, C.T, Shen, Y.L, Qin, X.F, Xiao, Q.J, Zhu, Y.B, Song, Y.J, Zhao, N.l, Zhao, C, Yang, J, Mu, X.Y, Huang, Q, Bao, R.
登録日2019-01-25
公開日2020-01-29
最終更新日2020-08-19
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Molecular basis of the lipid-induced MucA-MucB dissociation in Pseudomonas aeruginosa.
Commun Biol, 3, 2020
6JJB
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BU of 6jjb by Molmil
BRD4 in complex with ZZM1
分子名称: 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide, Bromodomain-containing protein 4
著者Xu, J, Chen, Y, Jiang, F, Zhu, J.
登録日2019-02-25
公開日2020-01-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.508 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
5UAE
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BU of 5uae by Molmil
Crystal structure of the coiled-coil domain from Listeria Innocua Phage Integrase (Trigonal Form)
分子名称: CITRATE ANION, Putative integrase
著者Gupta, K, Sharp, R, Yuan, J.B, Van Duyne, G.D.
登録日2016-12-19
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Coiled-coil interactions mediate serine integrase directionality.
Nucleic Acids Res., 45, 2017
5UDO
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BU of 5udo by Molmil
Crystal structure of the coiled-coil domain from Listeria Innocua Phage Integrase (Tetragonal Form II)
分子名称: A118 serine integrase
著者Gupta, K, Yuan, J.B, Sharp, R, Van Duyne, G.D.
登録日2016-12-28
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献Coiled-coil interactions mediate serine integrase directionality.
Nucleic Acids Res., 45, 2017
7CGC
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BU of 7cgc by Molmil
Silver-bound E. coli Malate dehydrogenase (C113 and C251)
分子名称: Malate dehydrogenase, SILVER ION
著者Wang, H, Wang, M, Sun, H.
登録日2020-07-01
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.548 Å)
主引用文献Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm.
Chem Sci, 11, 2020
7CGD
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BU of 7cgd by Molmil
Silver-bound E.coli malate dehydrogenase
分子名称: Malate dehydrogenase, SILVER ION
著者Wang, H, Wang, M, Sun, H.
登録日2020-07-01
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm.
Chem Sci, 11, 2020
5XNV
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BU of 5xnv by Molmil
Crystal structure of YEATS2 YEATS bound to H3K27ac peptide
分子名称: ALA-ALA-ARG-ALY-SER-ALA-PRO-ALA, AMMONIUM ION, CHLORIDE ION, ...
著者Li, H.T, Guan, H.P, Zhao, D.
登録日2017-05-24
公開日2017-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.696 Å)
主引用文献YEATS2 links histone acetylation to tumorigenesis of non-small cell lung cancer.
Nat Commun, 8, 2017
6JJ3
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BU of 6jj3 by Molmil
BRD4 in complex with 138A
分子名称: 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4
著者Xu, J, Chen, Y, Jiang, F, Zhu, J.
登録日2019-02-25
公開日2020-01-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.718 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
5U96
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BU of 5u96 by Molmil
Crystal structure of the coiled-coil domain from Listeria Innocua (Tetragonal Form)
分子名称: Putative integrase
著者Gupta, K, Van Duyne, G.D, Sharp, R, Yuan, J.B.
登録日2016-12-15
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Coiled-coil interactions mediate serine integrase directionality.
Nucleic Acids Res., 45, 2017
7CB0
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BU of 7cb0 by Molmil
The apo 6-phosphogluconate dehydrogenase from Staphylococcus aureus (strain Newman)
分子名称: 6-phosphogluconate dehydrogenase, decarboxylating
著者Wang, H, Wang, M, Sun, H.
登録日2020-06-10
公開日2021-04-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
7CB5
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BU of 7cb5 by Molmil
The 6-phosphogluconate dehydrogenase from Staphylococcus aureus (6-phosphogluconate bound)
分子名称: 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconate dehydrogenase, decarboxylating
著者Wang, H, Wang, M, Sun, H.
登録日2020-06-10
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
7CB6
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BU of 7cb6 by Molmil
The silver-bound 6-phosphogluconate dehydrogenase from Staphylococcus aureus (strain Newman)
分子名称: 6-phosphogluconate dehydrogenase, decarboxylating, SILVER ION
著者Wang, H, Wang, M, Sun, H.
登録日2020-06-10
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
7E3J
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BU of 7e3j by Molmil
Crystal structure of SARS-CoV-2 RBD binding to dog ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE2, Spike protein S1, ...
著者Zhang, Z, Zhang, Y.
登録日2021-02-08
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The molecular basis for SARS-CoV-2 binding to dog ACE2.
Nat Commun, 12, 2021
6L0O
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BU of 6l0o by Molmil
WH domain of human MCM8
分子名称: DNA helicase MCM8, SULFATE ION
著者Liu, Y, Li, J, Liu, L, Zeng, H.
登録日2019-09-26
公開日2020-04-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Crystal structure of the winged-helix domain of MCM8.
Biochem.Biophys.Res.Commun., 526, 2020
3PYY
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BU of 3pyy by Molmil
Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site
分子名称: (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ...
著者Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B.
登録日2010-12-13
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site.
Chem.Biol., 18, 2011
1JPZ
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BU of 1jpz by Molmil
Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine
分子名称: BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
著者Haines, D.C, Tomchick, D.R, Machius, M, Peterson, J.A.
登録日2001-08-03
公開日2001-11-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Pivotal role of water in the mechanism of P450BM-3.
Biochemistry, 40, 2001
3F4M
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BU of 3f4m by Molmil
Crystal structure of TIPE2
分子名称: CHLORIDE ION, Tumor necrosis factor, alpha-induced protein 8-like protein 2
著者Zhang, X, Wang, J, Shi, Y.
登録日2008-11-01
公開日2009-03-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Crystal structure of TIPE2 provides insights into immune homeostasis
Nat.Struct.Mol.Biol., 16, 2009

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