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3CVF
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BU of 3cvf by Molmil
Crystal Structure of the carboxy terminus of Homer3
Descriptor: Homer protein homolog 3
Authors:Hayashi, M.K, Stearns, M.H, Giannini, V, Xu, R.-M, Sala, C, Hayashi, Y.
Deposit date:2008-04-18
Release date:2009-03-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The postsynaptic density proteins Homer and Shank form a polymeric network structure.
Cell(Cambridge,Mass.), 137, 2009
3L5T
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BU of 3l5t by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with thiophenepiperazinylquinolinone inhibitor at 1.86A resolution
Descriptor: 1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
1IQC
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BU of 1iqc by Molmil
Crystal structure of Di-Heme Peroxidase from Nitrosomonas europaea
Descriptor: CALCIUM ION, GLYCEROL, HEME C, ...
Authors:Shimizu, H.
Deposit date:2001-07-20
Release date:2002-01-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Nitrosomonas europaea cytochrome c peroxidase and the structural basis for ligand switching in bacterial di-heme peroxidases
Biochemistry, 40, 2001
3CVE
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BU of 3cve by Molmil
Crystal Structure of the carboxy terminus of Homer1
Descriptor: Homer protein homolog 1
Authors:Hayashi, M.K, Stearns, M.H, Giannini, V, Xu, R.-M, Sala, C, Hayashi, Y.
Deposit date:2008-04-18
Release date:2009-03-31
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The postsynaptic density proteins Homer and Shank form a polymeric network structure.
Cell(Cambridge,Mass.), 137, 2009
3CVR
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BU of 3cvr by Molmil
Crystal structure of the full length IpaH3
Descriptor: Invasion plasmid antigen
Authors:Zhu, Y, Shao, F.
Deposit date:2008-04-19
Release date:2008-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of a Shigella effector reveals a new class of ubiquitin ligases
Nat.Struct.Mol.Biol., 15, 2008
8DKS
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BU of 8dks by Molmil
IRAK4 IN COMPLEX WITH COMPOUND #3
Descriptor: (1S,2S,3R,4R)-3-({2-[3-(pyrrolidine-1-carbonyl)anilino]thieno[3,2-d]pyrimidin-4-yl}amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide, BETA-MERCAPTOETHANOL, Interleukin-1 receptor-associated kinase 4
Authors:Chen, Y, Lin, N.
Deposit date:2022-07-06
Release date:2022-08-03
Last modified:2022-08-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Bicyclic pyrimidine compounds as potent IRAK4 inhibitors.
Bioorg.Med.Chem.Lett., 73, 2022
3L5R
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BU of 3l5r by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with phenylchromenone inhibitor at 1.94A resolution
Descriptor: 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
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
Descriptor: 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
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
Descriptor: 5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
8CVN
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BU of 8cvn by Molmil
Cryo-EM Structure of Human 15-PGDH in Complex with Small Molecule SW209415
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-[butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
Authors:Huang, W, Taylor, D.J.
Deposit date:2022-05-18
Release date:2023-03-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
8CWL
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BU of 8cwl by Molmil
Cryo-EM structure of Human 15-PGDH in complex with small molecule SW222746
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one
Authors:Huang, W, Taylor, D.J.
Deposit date:2022-05-19
Release date:2023-03-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
3L5V
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BU of 3l5v by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with glycerol at 1.70A resolution
Descriptor: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
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
Descriptor: 2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
8WUY
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BU of 8wuy by Molmil
Crystal Structure of TR3 LBD in complex with para-positioned 3,4,5-trisubstituted benzene derivatives
Descriptor: Nuclear receptor subfamily 4immunitygroup A member 1, ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide
Authors:Hong, W.B, Chen, X.Q, Lin, T.W.
Deposit date:2023-10-21
Release date:2024-01-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design and synthesis of anti-fibrotic compounds derived from para-positioned 3,4,5-trisubstituted benzene.
Bioorg.Chem., 144, 2024
5H5P
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BU of 5h5p by Molmil
Crystal structure of Myelin-gene Regulatory Factor DNA binding domain
Descriptor: Myelin regulatory factor
Authors:Shi, N, Zhen, X, Li, B.
Deposit date:2016-11-09
Release date:2017-06-28
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.461 Å)
Cite:Crystal structure of the DNA-binding domain of Myelin-gene Regulatory Factor.
Sci Rep, 7, 2017
8DMH
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BU of 8dmh by Molmil
Lymphocytic choriomeningitis virus glycoprotein in complex with neutralizing antibody M28
Descriptor: 18.5C-M28 Fab Heavy Chain, 18.5C-M28 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Moon-Walker, A, Hastie, K.M, Zyla, D.S, Saphire, E.O.
Deposit date:2022-07-08
Release date:2023-04-12
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structural basis for antibody-mediated neutralization of lymphocytic choriomeningitis virus.
Cell Chem Biol, 30, 2023
8DMI
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BU of 8dmi by Molmil
Lymphocytic choriomeningitis virus glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein G1, ...
Authors:Moon-Walker, A, Hastie, K.M, Zyla, D.S, Saphire, E.O.
Deposit date:2022-07-08
Release date:2023-04-12
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural basis for antibody-mediated neutralization of lymphocytic choriomeningitis virus.
Cell Chem Biol, 30, 2023
8IS5
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BU of 8is5 by Molmil
Structure of an Isocytosine specific deaminase Vcz with close state
Descriptor: Hydroxydechloroatrazine ethylaminohydrolase, SULFATE ION, ZINC ION
Authors:Guo, W.T, Li, X.J, Wu, B.X.
Deposit date:2023-03-20
Release date:2023-08-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
8IS4
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BU of 8is4 by Molmil
Structure of an Isocytosine specific deaminase Vcz in complexed with 5-FU
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-FLUOROURACIL, GLYCEROL, ...
Authors:Guo, W.T, Li, X.J, Wu, B.X.
Deposit date:2023-03-20
Release date:2023-08-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
5X5P
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BU of 5x5p by Molmil
Human serum transferrin bound to ruthenium NTA
Descriptor: FE (III) ION, MALONATE ION, NITRILOTRIACETIC ACID, ...
Authors:Sun, H, Wang, M.
Deposit date:2017-02-17
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake.
J.Inorg.Biochem., 234, 2022
6VXG
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BU of 6vxg by Molmil
Structure of the C-terminal Domain of RAGE and Its Inhibitor
Descriptor: Advanced glycosylation end product-specific receptor, N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide
Authors:Ramirez, L, Shekhtman, A.
Deposit date:2020-02-21
Release date:2021-02-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Small-molecule antagonism of the interaction of the RAGE cytoplasmic domain with DIAPH1 reduces diabetic complications in mice.
Sci Transl Med, 13, 2021
3F4M
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BU of 3f4m by Molmil
Crystal structure of TIPE2
Descriptor: CHLORIDE ION, Tumor necrosis factor, alpha-induced protein 8-like protein 2
Authors:Zhang, X, Wang, J, Shi, Y.
Deposit date:2008-11-01
Release date:2009-03-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Crystal structure of TIPE2 provides insights into immune homeostasis
Nat.Struct.Mol.Biol., 16, 2009
7CBQ
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BU of 7cbq by Molmil
Crystal structure of PDE4D catalytic domain in complex with Apremilast
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide, ...
Authors:Zhang, X.L, Xu, Y.C.
Deposit date:2020-06-13
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
7CBJ
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BU of 7cbj by Molmil
Crystal structure of PDE4D catalytic domain in complex with compound 36
Descriptor: (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Xu, Y.C.
Deposit date:2020-06-12
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
5ZVD
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BU of 5zvd by Molmil
The crystal structure of NSun6 from Pyrococcus horikoshii
Descriptor: 389aa long hypothetical nucleolar protein
Authors:Li, J, Liu, R.J, Wang, E.D.
Deposit date:2018-05-10
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Archaeal NSUN6 catalyzes m5C72 modification on a wide-range of specific tRNAs.
Nucleic Acids Res., 47, 2019

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数据于2024-08-07公开中

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