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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
1GX0
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BU of 1gx0 by Molmil
ALPHA-,1,3 GALACTOSYLTRANSFERASE - BETA-D-GALACTOSE COMPLEX
分子名称: GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
著者Boix, E, Zhang, Y, Swaminathan, G.J, Brew, K, Acharya, K.R.
登録日2002-03-26
公開日2003-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of Ordered Binding of Donor and Acceptor Substrates to the Retaining Glycosyltransferase, Alpha -1,3 Galactosyltransferase
J.Biol.Chem., 277, 2002
3L5P
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BU of 3l5p by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with imidazopyridazinol inhibitor at 1.80A resolution
分子名称: 2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol, GLYCEROL, Macrophage migration inhibitory factor, ...
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 (1.8 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
5X4R
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BU of 5x4r by Molmil
Structure of the N-terminal domain (NTD) of MERS-CoV spike protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S protein
著者Yuan, Y, Zhang, Y, Qi, J, Shi, Y, Gao, G.F.
登録日2017-02-14
公開日2017-05-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
1GX4
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BU of 1gx4 by Molmil
ALPHA-,1,3 GALACTOSYLTRANSFERASE - N-ACETYL LACTOSAMINE COMPLEX
分子名称: GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
著者Boix, E, Zhang, Y, Swaminathan, G.J, Brew, K, Acharya, K.R.
登録日2002-03-27
公開日2003-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structural Basis of Ordered Binding of Donor and Acceptor Substrates to the Retaining Glycosyltransferase, Alpha -1,3 Galactosyltransferase
J.Biol.Chem., 277, 2002
8K14
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BU of 8k14 by Molmil
X-ray crystal structure of 18a in BRD4(1)
分子名称: 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4
著者Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R.
登録日2023-07-10
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation.
Eur.J.Med.Chem., 263, 2024
1GWW
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BU of 1gww by Molmil
ALPHA-,1,3 GALACTOSYLTRANSFERASE - ALPHA-D-GLUCOSE COMPLEX
分子名称: MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE, ...
著者Boix, E, Zhang, Y, Swaminathan, G.J, Brew, K, Acharya, K.R.
登録日2002-03-26
公開日2003-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of Ordered Binding of Donor and Acceptor Substrates to the Retaining Glycosyltransferase, Alpha -1,3 Galactosyltransferase
J.Biol.Chem., 277, 2002
1GWV
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BU of 1gwv by Molmil
ALPHA-,1,3 GALACTOSYLTRANSFERASE - LACTOSE COMPLEX
分子名称: MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE, ...
著者Boix, E, Zhang, Y, Swaminathan, G.J, Brew, K, Acharya, K.R.
登録日2002-03-26
公開日2003-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis of Ordered Binding of Donor and Acceptor Substrates to the Retaining Glycosyltransferase, Alpha -1,3 Galactosyltransferase
J.Biol.Chem., 277, 2002
5X4S
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BU of 5x4s by Molmil
Structure of the N-terminal domain (NTD)of SARS-CoV spike protein
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Yuan, Y, Zhang, Y, Qi, J, Shi, Y, Gao, G.F.
登録日2017-02-14
公開日2017-05-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
3JTU
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BU of 3jtu by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 708 at 1.86a resolution
分子名称: 7-(pyridin-2-ylmethyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
著者Mclean, L, Zhang, Y.
登録日2009-09-14
公開日2009-11-10
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
8HDZ
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BU of 8hdz by Molmil
Monkeypox virus DNA replication holoenzyme F8, A22 and E4 complex in an apo form
分子名称: A22 DNA replication processivity factor, E4 uracil-DNA glycosylase, F8 DNA polymerase
著者Xu, Y, Wu, Y, Zhang, Y, Fan, R, Yang, Y, Li, D, Yang, B, Zhang, Z, Dong, C.
登録日2022-11-07
公開日2023-11-15
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Cryo-EM structures of human monkeypox viral replication complexes with and without DNA duplex.
Cell Res., 33, 2023
3JSF
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BU of 3jsf by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 638 at 1.93a resolution
分子名称: 7-(2-fluorobenzyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
著者Mclean, L, Zhang, Y.
登録日2009-09-10
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
7JVQ
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BU of 7jvq by Molmil
Cryo-EM structure of apomorphine-bound dopamine receptor 1 in complex with Gs protein
分子名称: (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E.
登録日2020-08-22
公開日2021-02-24
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
7JVP
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BU of 7jvp by Molmil
Cryo-EM structure of SKF-83959-bound dopamine receptor 1 in complex with Gs protein
分子名称: (1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E.
登録日2020-08-22
公開日2021-02-24
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
7JV5
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BU of 7jv5 by Molmil
Cryo-EM structure of SKF-81297-bound dopamine receptor 1 in complex with Gs protein
分子名称: (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E.
登録日2020-08-20
公開日2021-02-24
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
7JVR
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BU of 7jvr by Molmil
Cryo-EM structure of Bromocriptine-bound dopamine receptor 2 in complex with Gi protein
分子名称: Antibody fragment ScFv16, 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, ...
著者Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E.
登録日2020-08-22
公開日2021-02-24
最終更新日2021-03-31
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
3JSG
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BU of 3jsg by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 707 at 1.58a resolution
分子名称: 7-(pyridin-3-ylmethyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
著者Mclean, L, Zhang, Y.
登録日2009-09-10
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
7SH6
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BU of 7sh6 by Molmil
Crystal structure of a PET hydrolase mutant from Ideonella Sakaiensis
分子名称: Poly(ethylene terephthalate) hydrolase, SULFATE ION
著者Kim, W, Zhang, Y.
登録日2021-10-08
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Machine learning-aided engineering of hydrolases for PET depolymerization.
Nature, 604, 2022
8I2H
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BU of 8i2h by Molmil
Follicle stimulating hormone receptor
分子名称: Follicle-stimulating hormone receptor
著者Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E.
登録日2023-01-14
公開日2023-03-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
8I2G
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BU of 8i2g by Molmil
FSHR-Follicle stimulating hormone-compound 716340-Gs complex
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, CHOLESTEROL, ...
著者Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E.
登録日2023-01-14
公開日2023-03-29
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
6DJ1
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BU of 6dj1 by Molmil
Wild-type HIV-1 protease in complex with Lopinavir
分子名称: CHLORIDE ION, HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ...
著者Wang, Y.-F, Wong-Sam, A.E, Zhang, Y, Weber, I.T.
登録日2018-05-24
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
8IRV
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BU of 8irv by Molmil
Dopamine Receptor D5R-Gs-Rotigotine complex
分子名称: CHOLESTEROL, 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, ...
著者Xu, P, Huang, S, Zhuang, Y, Mao, C, Zhang, Y, Wang, Y, Li, H, Jiang, Y, Zhang, Y, Xu, H.E.
登録日2023-03-19
公開日2023-06-07
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural genomics of the human dopamine receptor system.
Cell Res., 33, 2023
8IRT
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BU of 8irt by Molmil
Dopamine Receptor D3R-Gi-Rotigotine 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Xu, P, Huang, S, Zhuang, Y, Mao, C, Zhang, Y, Wang, Y, Li, H, Jiang, Y, Zhang, Y, Xu, H.E.
登録日2023-03-19
公開日2023-06-07
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural genomics of the human dopamine receptor system.
Cell Res., 33, 2023
5Y93
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BU of 5y93 by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
8IRS
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BU of 8irs by Molmil
Dopamine Receptor D2R-Gi-Rotigotine 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Xu, P, Huang, S, Zhuang, Y, Mao, C, Zhang, Y, Wang, Y, Li, H, Jiang, Y, Zhang, Y, Xu, H.E.
登録日2023-03-19
公開日2023-06-07
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural genomics of the human dopamine receptor system.
Cell Res., 33, 2023

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