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4QTI
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BU of 4qti by Molmil
Crystal structure of human uPAR in complex with anti-uPAR Fab 8B12
分子名称: Urokinase plasminogen activator surface receptor, anti-uPAR antibody, heavy chain, ...
著者Zhao, B, Yuan, C, Luo, Z, Huang, M.
登録日2014-07-08
公開日2015-02-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation.
J.Mol.Biol., 427, 2015
4UAI
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BU of 4uai by Molmil
Crystal structure of CXCL12 in complex with inhibitor
分子名称: 1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea, SULFATE ION, Stromal cell-derived factor 1
著者Smith, E.W, Chen, Y.
登録日2014-08-09
公開日2014-11-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Analysis of a Novel Small Molecule Ligand Bound to the CXCL12 Chemokine.
J.Med.Chem., 57, 2014
8FRR
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BU of 8frr by Molmil
Wild-type myocilin olfactomedin domain
分子名称: CALCIUM ION, GLYCEROL, Myocilin, ...
著者Ma, M.T, Lieberman, R.L, Huard, D.J.E.
登録日2023-01-08
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Competition between inside-out unfolding and pathogenic aggregation in an amyloid-forming beta-propeller.
Nat Commun, 15, 2024
6KWR
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BU of 6kwr by Molmil
Crystal structure of enterovirus 71 polymerase elongation complex (ddCTP form)
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, MAGNESIUM ION, RNA (31-MER), ...
著者Shi, W, Gong, P.
登録日2019-09-08
公開日2019-12-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A nucleobase-binding pocket in a viral RNA-dependent RNA polymerase contributes to elongation complex stability.
Nucleic Acids Res., 48, 2020
6KZP
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BU of 6kzp by Molmil
calcium channel-ligand
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Yan, N.
登録日2019-09-25
公開日2019-12-18
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures of apo and antagonist-bound human Cav3.1.
Nature, 576, 2019
6KWQ
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BU of 6kwq by Molmil
Crystal structure of enterovirus 71 polymerase elongation complex (native form)
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ...
著者Shi, W, Gong, P.
登録日2019-09-08
公開日2019-12-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A nucleobase-binding pocket in a viral RNA-dependent RNA polymerase contributes to elongation complex stability.
Nucleic Acids Res., 48, 2020
6KZO
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BU of 6kzo by Molmil
membrane protein
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Yan, N.
登録日2019-09-25
公開日2019-12-18
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of apo and antagonist-bound human Cav3.1.
Nature, 576, 2019
6LSE
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BU of 6lse by Molmil
Crystal structure of the enterovirus 71 polymerase elongation complex (C3S6A/C3S6B form)
分子名称: Genome polyprotein, PYROPHOSPHATE 2-, RNA (35-MER), ...
著者Wang, M, Shu, B, Jing, X, Gong, P.
登録日2020-01-17
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Stringent control of the RNA-dependent RNA polymerase translocation revealed by multiple intermediate structures.
Nat Commun, 11, 2020
6LSF
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BU of 6lsf by Molmil
Crystal structure of the enterovirus 71 polymerase elongation complex (C2S6RA/C2S6RB form)
分子名称: Genome polyprotein, RNA (35-MER), RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*GP*AP*CP*C)-3'), ...
著者Wang, M, Shu, B, Jing, X, Gong, P.
登録日2020-01-17
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献Stringent control of the RNA-dependent RNA polymerase translocation revealed by multiple intermediate structures.
Nat Commun, 11, 2020
7VQM
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BU of 7vqm by Molmil
GH2 beta-galacturonate AqGalA in complex with galacturonide
分子名称: CHLORIDE ION, GH2 beta-galacturonate AqGalA, beta-D-galactopyranuronic acid
著者Yang, J.
登録日2021-10-20
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Biochemical Basis of a Marine Bacterial Glycoside Hydrolase Family 2 beta-Glycosidase with Broad Substrate Specificity
Appl.Environ.Microbiol., 88, 2022
7XMN
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BU of 7xmn by Molmil
Structure of SARS-CoV-2 ORF8
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltodextrin-binding protein, ...
著者Chen, X, Xu, W.
登録日2022-04-26
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Glycosylated, Lipid-Binding, CDR-Like Domains of SARS-CoV-2 ORF8 Indicate Unique Sites of Immune Regulation.
Microbiol Spectr, 11, 2023
5YGF
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BU of 5ygf by Molmil
Crystal structure of Drosophila melanogaster Papi extended Tudor domain (D287A) in complex with Piwi N-terminal R10-unme peptide
分子名称: ASP-GLN-GLY-ARG-GLY-ARG-ARG-ARG-PRO, GH18329p
著者Zhang, Y.H, Huang, Y.
登録日2017-09-22
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Structural insights into the sequence-specific recognition of Piwi byDrosophilaPapi
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YGD
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BU of 5ygd by Molmil
Crystal structure of Drosophila melanogaster Papi extended Tudor domain (D287A) in complex with Piwi N-terminal R10me2s peptide
分子名称: ASP-GLN-GLY-ARG-GLY-ARG-2MR-ARG-PRO-LEU-ASN, GH18329p
著者Zhang, Y.H, Huang, Y.
登録日2017-09-22
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Structural insights into the sequence-specific recognition of Piwi byDrosophilaPapi
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YJO
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BU of 5yjo by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 4
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Anna E, J.
登録日2017-10-11
公開日2018-10-17
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.135 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
5YGB
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BU of 5ygb by Molmil
Crystal structure of drosophila melanogaster Papi extended Tudor domain mutant - D287A
分子名称: GH18329p
著者Zhang, Y.H, Huang, Y.
登録日2017-09-22
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural insights into the sequence-specific recognition of Piwi byDrosophilaPapi
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YGC
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BU of 5ygc by Molmil
Crystal structure of Drosophila melanogaster Papi extended Tudor domain
分子名称: GH18329p
著者Zhang, Y.H, Huang, Y.
登録日2017-09-22
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into the sequence-specific recognition of Piwi byDrosophilaPapi
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5ZWK
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BU of 5zwk by Molmil
Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with fructose-1,6-bisphophate and AMP
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
著者Yunyuan, H, Zeyuan, G, Junjie, Y, Ping, Y, Jian, W.
登録日2018-05-15
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Location of FBPase catalytic metal binding site: a combined experimental and theoretical study
To Be Published
6AH7
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BU of 6ah7 by Molmil
D45W/H226G mutant of marine bacterial prolidase
分子名称: MANGANESE (II) ION, SODIUM ION, SULFATE ION, ...
著者Jian, Y, Yunzhu, X, Lijuan, L.
登録日2018-08-17
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Repurposing a bacterial prolidase for organophosphorus hydrolysis: Reshaped catalytic cavity switches substrate selectivity.
Biotechnol.Bioeng., 117, 2020
6AH8
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BU of 6ah8 by Molmil
Marine bacterial prolidase with promiscuous organophosphorus hydrolase activity
分子名称: MANGANESE (II) ION, SULFATE ION, Xaa-Pro dipeptidase
著者Jian, Y.
登録日2018-08-17
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Repurposing a bacterial prolidase for organophosphorus hydrolysis: Reshaped catalytic cavity switches substrate selectivity.
Biotechnol.Bioeng., 117, 2020
1D4A
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BU of 1d4a by Molmil
CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AT 1.7 A RESOLUTION
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, QUINONE REDUCTASE
著者Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M.
登録日1999-10-01
公開日1999-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of recombinant human and mouse NAD(P)H:quinone oxidoreductases: species comparison and structural changes with substrate binding and release.
Proc.Natl.Acad.Sci.USA, 97, 2000
1DXO
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BU of 1dxo by Molmil
Crystal structure of human NAD[P]H-QUINONE oxidoreductase CO with 2,3,5,6,tetramethyl-P-benzoquinone (duroquinone) at 2.5 Angstrom resolution
分子名称: DUROQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, QUINONE REDUCTASE
著者Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M.
登録日2000-01-12
公開日2000-04-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Recombinant Mouse and Human Nad(P)H:Quinone Oxidoreductases:Species Comparison and Structural Changes with Substrate Binding and Release
Proc.Natl.Acad.Sci.USA, 97, 2000
1DXQ
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BU of 1dxq by Molmil
CRYSTAL STRUCTURE OF MOUSE NAD[P]H-QUINONE OXIDOREDUCTASE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, QUINONE REDUCTASE
著者Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M.
登録日2000-01-14
公開日2000-04-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of Recombinant Mouse and Human Nad(P)H:Quinone Oxidoreductases:Species Comparison and Structural Changes with Substrate Binding and Release
Proc.Natl.Acad.Sci.USA, 97, 2000
7CC2
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BU of 7cc2 by Molmil
Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors
分子名称: Tyrosine-protein kinase ABL1, [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid
著者Anantharajan, J, Baburajendran, N.
登録日2020-06-16
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.723 Å)
主引用文献Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors*.
Angew.Chem.Int.Ed.Engl., 60, 2021
7DT2
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BU of 7dt2 by Molmil
Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors
分子名称: Tyrosine-protein kinase ABL1, [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid
著者Anantharajan, J, Baburajendran, N.
登録日2021-01-04
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors*.
Angew.Chem.Int.Ed.Engl., 60, 2021
7E5C
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BU of 7e5c by Molmil
Bacterial prolidase mutant D45W/L225Y/H226L/H343I
分子名称: MANGANESE (II) ION, Xaa-Pro dipeptidase
著者Yang, J.
登録日2021-02-18
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structure-based redesign of the bacterial prolidase active-site pocket for efficient enhancement of methyl-parathion hydrolysis
Catalysis Science And Technology, 11, 2021

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