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3WL8
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BU of 3wl8 by Molmil
Crystal Structure of pOPH S172A with octanoic acid
分子名称: CITRIC ACID, OCTANOIC ACID (CAPRYLIC ACID), Oxidized polyvinyl alcohol hydrolase
著者Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chan, H.C, Ren, F.F, Jia, D.X, Wang, A.H.-J, Guo, R.T, Chen, J, Du, G.C.
登録日2013-11-08
公開日2014-09-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into enzymatic degradation of oxidized polyvinyl alcohol
Chembiochem, 15, 2014
6BWF
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BU of 6bwf by Molmil
4.1 angstrom Mg2+-unbound structure of mouse TRPM7
分子名称: TRPM7
著者Zhang, J, Li, Z, Duan, J, Abiria, S.A, Clapham, D.E.
登録日2017-12-14
公開日2018-08-15
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structure of the mammalian TRPM7, a magnesium channel required during embryonic development.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2HH5
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BU of 2hh5 by Molmil
Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide
分子名称: CHLORIDE ION, Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, ...
著者Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S.
登録日2006-06-27
公開日2006-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers.
Bioorg.Med.Chem.Lett., 16, 2006
3WLA
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BU of 3wla by Molmil
Crystal Structure of sOPH Native
分子名称: Oxidized polyvinyl alcohol hydrolase, SULFATE ION
著者Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chan, H.C, Ren, F.F, Jia, D.X, Wang, A.H.-J, Guo, R.T, Chen, J, Du, G.C.
登録日2013-11-08
公開日2014-09-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into enzymatic degradation of oxidized polyvinyl alcohol
Chembiochem, 15, 2014
3WWE
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BU of 3wwe by Molmil
The complex of pOPH with PEG
分子名称: 2-(2-ETHOXYETHOXY)ETHANOL, Oxidized polyvinyl alcohol hydrolase
著者Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chen, J, Guo, R.T, Du, G.C.
登録日2014-06-17
公開日2015-04-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Roles of tryptophan residue and disulfide bond in the variable lid region of oxidized polyvinyl alcohol hydrolase
Biochem.Biophys.Res.Commun., 452, 2014
3WL7
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BU of 3wl7 by Molmil
The complex structure of pOPH S172C with ligand, ACA
分子名称: CITRIC ACID, Oxidized polyvinyl alcohol hydrolase, pentane-2,4-dione
著者Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chan, H.C, Ren, F.F, Jia, D.X, Wang, A.H.-J, Guo, R.T, Chen, J, Du, G.C.
登録日2013-11-08
公開日2014-09-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural insights into enzymatic degradation of oxidized polyvinyl alcohol
Chembiochem, 15, 2014
3WL6
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BU of 3wl6 by Molmil
Crystal Structure of pOPH Native
分子名称: CITRIC ACID, Oxidized polyvinyl alcohol hydrolase
著者Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chan, H.C, Ren, F.F, Jia, D.X, Wang, A.H.-J, Guo, R.T, Chen, J, Du, G.C.
登録日2013-11-08
公開日2014-09-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into enzymatic degradation of oxidized polyvinyl alcohol
Chembiochem, 15, 2014
3WWC
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BU of 3wwc by Molmil
The complex of pOPH_S172A of pNPB
分子名称: CITRIC ACID, Oxidized polyvinyl alcohol hydrolase, butanoic acid
著者Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chen, J, Guo, R.T, Du, G.C.
登録日2014-06-17
公開日2015-04-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Roles of tryptophan residue and disulfide bond in the variable lid region of oxidized polyvinyl alcohol hydrolase
Biochem.Biophys.Res.Commun., 452, 2014
3WWD
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BU of 3wwd by Molmil
The complex of pOPH_S172C with DMSO
分子名称: CITRIC ACID, DIMETHYL SULFOXIDE, Oxidized polyvinyl alcohol hydrolase
著者Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chen, J, Guo, R.T, Du, G.C.
登録日2014-06-17
公開日2015-04-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Roles of tryptophan residue and disulfide bond in the variable lid region of oxidized polyvinyl alcohol hydrolase
Biochem.Biophys.Res.Commun., 452, 2014
7JG3
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BU of 7jg3 by Molmil
Human GAR transformylase in complex with GAR substrate and AGF103 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-L-glutamic acid, SODIUM ION, ...
著者Wong-Roushar, J, Dann III, C.E.
登録日2020-07-18
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
7JG4
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BU of 7jg4 by Molmil
Human GAR transformylase in complex with GAR substrate and AGF131 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-(5-{3-[(1S,7R,8R,9S)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-L-glutamic acid, SODIUM ION, ...
著者Wong-Roushar, J, Dann III, C.E.
登録日2020-07-18
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.455 Å)
主引用文献Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
7JG0
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BU of 7jg0 by Molmil
Human GAR transformylase in complex with GAR substrate and AGF102 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Wong-Roushar, J, Dann III, C.E.
登録日2020-07-18
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
3G86
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BU of 3g86 by Molmil
Hepatitis C virus polymerase NS5B (BK 1-570) with thiazine inhibitor
分子名称: N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, NICKEL (II) ION, RNA-directed RNA polymerase
著者Harris, S.F, Ghate, M.
登録日2009-02-11
公開日2009-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Non-nucleoside inhibitors of HCV polymerase NS5B. Part 2: Synthesis and structure-activity relationships of benzothiazine-substituted quinolinediones
Bioorg.Med.Chem.Lett., 19, 2009
5GGZ
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BU of 5ggz by Molmil
Crystal structure of novel inhibitor bound with Hsp90
分子名称: Heat shock protein HSP 90-alpha, [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone
著者Chen, T.T, Li, J, Xu, Y.C.
登録日2016-06-16
公開日2017-03-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.015 Å)
主引用文献Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90
J. Med. Chem., 59, 2016
6K9C
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BU of 6k9c by Molmil
The apo structure of NrS-1 C terminal region (305-718)
分子名称: MERCURY (II) ION, Primase, SULFATE ION
著者Chen, X, Gan, J.
登録日2019-06-14
公開日2020-04-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Structural studies reveal a ring-shaped architecture of deep-sea vent phage NrS-1 polymerase.
Nucleic Acids Res., 48, 2020
5YOV
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BU of 5yov by Molmil
Crystal structure of BRD4-BD1 bound with hjp126
分子名称: (3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide, Bromodomain-containing protein 4
著者Xiong, B, Hu, J, Li, Y, Cao, D.
登録日2017-10-31
公開日2018-11-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structure-based optimization of a series of selective BET inhibitors containing aniline or indoline groups.
Eur.J.Med.Chem., 150, 2018
7JPT
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BU of 7jpt by Molmil
Structure of an endocytic receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte antigen 75, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Gully, B.S, Rossjohn, J, Berry, R.
登録日2020-08-09
公開日2020-12-09
最終更新日2021-07-14
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The cryo-EM structure of the endocytic receptor DEC-205.
J.Biol.Chem., 296, 2020
5WTJ
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BU of 5wtj by Molmil
Crystal structure of an endonuclease
分子名称: CRISPR-associated endoribonuclease C2c2
著者Liu, L, Wang, Y.
登録日2016-12-13
公開日2017-02-08
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (3.503 Å)
主引用文献Two Distant Catalytic Sites Are Responsible for C2c2 RNase Activities
Cell, 168, 2017
5YZ1
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BU of 5yz1 by Molmil
Crystal structure of human Archease
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Protein archease
著者Duan, S.Y, Li, J.X.
登録日2017-12-11
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of human archease, a key cofactor of tRNA splicing ligase complex.
Int.J.Biochem.Cell Biol., 122, 2020
4JQU
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BU of 4jqu by Molmil
Crystal structure of Ubc7p in complex with the U7BR of Cue1p
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Coupling of ubiquitin conjugation to ER degradation protein 1, DI(HYDROXYETHYL)ETHER, ...
著者Liang, Y.-H, Metzger, M.B, Weissman, A.M, Ji, X.
登録日2013-03-20
公開日2013-05-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献A Structurally Unique E2-Binding Domain Activates Ubiquitination by the ERAD E2, Ubc7p, through Multiple Mechanisms.
Mol.Cell, 50, 2013
6K9E
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BU of 6k9e by Molmil
The A form apo structure of NrS-1 C terminal region-CTR(305-718)
分子名称: PHOSPHATE ION, Primase
著者Chen, X, Gan, J.
登録日2019-06-14
公開日2020-06-17
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural studies reveal a ring-shaped architecture of deep-sea vent phage NrS-1 polymerase.
Nucleic Acids Res., 48, 2020
6KI3
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BU of 6ki3 by Molmil
The crystal structure of AsfvAP:dF commplex
分子名称: DNA (5'-D(*CP*CP*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*GP*CP*TP*G)-3'), DNA (5'-D(*GP*CP*AP*GP*CP*GP*TP*CP*C)-3'), DNA (5'-D(P*(3DR)P*CP*GP*AP*CP*GP*AP*G)-3'), ...
著者Chen, Y, Gan, J.
登録日2019-07-17
公開日2020-05-27
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献A unique DNA-binding mode of African swine fever virus AP endonuclease.
Cell Discov, 6, 2020
4ZHE
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BU of 4zhe by Molmil
Crystal structure of the SeMet substituted Topless related protein 2 (TPR2) N-terminal domain (1-209) from rice
分子名称: ASPR2 protein
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2015-04-24
公開日2015-08-05
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors.
Sci Adv, 1, 2015
6A06
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BU of 6a06 by Molmil
Structure of pSTING complex
分子名称: SULFATE ION, Stimulator of interferon genes protein, cGAMP
著者Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
登録日2018-06-05
公開日2019-06-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6A04
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BU of 6a04 by Molmil
Structure of pSTING complex
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), SULFATE ION, Stimulator of interferon genes protein
著者Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
登録日2018-06-05
公開日2019-06-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019

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