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3CVK
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BU of 3cvk by Molmil
Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor
分子名称: N-{3-[1-(3,3-Dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide, RNA-directed RNA polymerase
著者Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
登録日2008-04-18
公開日2009-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
3D28
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BU of 3d28 by Molmil
Crystal structure of hcv ns5b polymerase with a novel benzisothiazole inhibitor
分子名称: (5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one, RNA-directed RNA polymerase
著者Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
登録日2008-05-07
公開日2009-05-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
3SR9
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BU of 3sr9 by Molmil
Crystal structure of mouse PTPsigma
分子名称: Receptor-type tyrosine-protein phosphatase S
著者Wang, J, Hou, L, Li, J, Ding, J.
登録日2011-07-07
公開日2012-05-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into the homology and differences between mouse protein tyrosine phosphatase-sigma and human protein tyrosine phosphatase-sigma
Acta Biochim.Biophys.Sin., 43, 2011
3CWJ
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BU of 3cwj by Molmil
Crystal structure of hcv ns5b polymerase with a novel pyridazinone inhibitor
分子名称: N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
著者Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
登録日2008-04-21
公開日2009-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase
Bioorg.Med.Chem.Lett., 18, 2008
2EK5
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BU of 2ek5 by Molmil
Crystal structure of the transcriptional factor from C.glutamicum at 2.2 angstrom resolution
分子名称: Predicted transcriptional regulators
著者Gao, Y.G, Yao, M, Tanaka, I.
登録日2007-03-22
公開日2007-09-18
最終更新日2020-09-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structures of transcription factor CGL2947 from Corynebacterium glutamicum in two crystal forms: A novel homodimer assembling and the implication for effector-binding mode
Protein Sci., 16, 2007
5YIM
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BU of 5yim by Molmil
Structure of a Legionella effector
分子名称: SdeA
著者Feng, Y, Dong, Y, Wang, W.
登録日2017-10-05
公開日2018-05-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.394 Å)
主引用文献Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018
5YIK
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BU of 5yik by Molmil
Structure of a Legionella effector with its substrate
分子名称: SdeA, ubiquitin
著者Feng, Y, Dong, Y, Liu, Z.
登録日2017-10-05
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018
5YIJ
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BU of 5yij by Molmil
Structure of a Legionella effector with substrates
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SdeA, Ubiquitin
著者Feng, Y, Mu, Y, Wang, H.
登録日2017-10-05
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018
7DEO
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BU of 7deo by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ...
著者Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-04
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DET
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BU of 7det by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
著者Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-05
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DEU
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BU of 7deu by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
著者Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-05
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7LUA
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BU of 7lua by Molmil
Cryo-EM structure of DH898.1 Fab-dimer bound near the CD4 binding site of HIV-1 Env CH848 SOSIP trimer
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, CH848 SOSIP gp120, ...
著者Manne, K, Edwards, R.J, Acharya, P.
登録日2021-02-21
公開日2021-03-17
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
7LU9
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BU of 7lu9 by Molmil
Cryo-EM structure of DH851.3 bound to HIV-1 CH505 Env
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Manne, K, Edwards, R.J, Acharya, P.
登録日2021-02-21
公開日2021-03-24
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
7LUB
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BU of 7lub by Molmil
Crystal structure of recombinant human fumarase in complex with D-2-amino-3-phosphono-propionic acid
分子名称: D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID, Fumarate hydratase, mitochondrial, ...
著者Cardoso, I.A, Nonato, M.C.
登録日2021-02-21
公開日2022-02-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
7MSB
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BU of 7msb by Molmil
Structure of EED bound to EEDi-4259
分子名称: (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED
著者Petrunak, E, Stuckey, J.
登録日2021-05-11
公開日2021-10-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
J.Med.Chem., 64, 2021
7MSD
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BU of 7msd by Molmil
Structure of EED bound to EEDi-6068
分子名称: (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED
著者Petrunak, E, Stuckey, J.
登録日2021-05-11
公開日2021-10-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
J.Med.Chem., 64, 2021
7MBH
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BU of 7mbh by Molmil
Structure of Human Enolase 2 in complex with phosphoserine
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ...
著者Leonard, P.G, Hicks, K.G, Rutter, J.
登録日2021-03-31
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
5YMR
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BU of 5ymr by Molmil
The Crystal Structure of IseG
分子名称: 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL
著者Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z.
登録日2017-10-22
公開日2019-03-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria.
Nat Commun, 10, 2019
7MRY
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BU of 7mry by Molmil
Norovirus T=3 GII.4 HOV VLP
分子名称: VP1
著者Salmen, W, Hu, L, Prasad, B.
登録日2021-05-10
公開日2022-03-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Atomic structure of the predominant GII.4 human norovirus capsid reveals novel stability and plasticity.
Nat Commun, 13, 2022
3GYN
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BU of 3gyn by Molmil
Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone inhibitor
分子名称: N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
著者Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
登録日2009-04-04
公開日2009-12-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
3IGV
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BU of 3igv by Molmil
Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone inhibitor
分子名称: N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
著者Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
登録日2009-07-28
公開日2009-12-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
5Z8O
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BU of 5z8o by Molmil
Structural of START superfamily protein MSMEG_0129 from Mycobacterium smegmatis
分子名称: Cyclase/dehydrase
著者Zheng, S, Liu, W, Bi, L.
登録日2018-01-31
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and genetic analysis of START superfamily protein MSMEG_0129 from Mycobacterium smegmatis.
FEBS Lett., 592, 2018
8HGH
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BU of 8hgh by Molmil
Structure of 2:2 PAPP-A.STC2 complex
分子名称: Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION
著者Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
登録日2022-11-14
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
8HGG
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BU of 8hgg by Molmil
Structure of 2:2 PAPP-A.ProMBP complex
分子名称: Bone marrow proteoglycan, Pappalysin-1, ZINC ION
著者Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
登録日2022-11-14
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
4HL8
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BU of 4hl8 by Molmil
Re-refinement of the vault ribonucleoprotein particle
分子名称: Major vault protein
著者Casanas, A, Querol-Audi, J, Guerra, P, Pous, J, Tanaka, H, Tsukihara, T, Verdaguer, V, Fita, I.
登録日2012-10-16
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献New features of vault architecture and dynamics revealed by novel refinement using the deformable elastic network approach.
Acta Crystallogr.,Sect.D, 69, 2013

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