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4R5S
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BU of 4r5s by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with FIIN-3
分子名称: Epidermal growth factor receptor, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide
著者Zhu, S.J, Yun, C.H.
登録日2014-08-22
公開日2014-11-12
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
5A9V
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BU of 5a9v by Molmil
Structure of apo BipA
分子名称: GTP-BINDING PROTEIN
著者Kumar, V, Chen, Y, Ero, R, Li, Z, Gao, Y.
登録日2015-07-23
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
5A9W
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BU of 5a9w by Molmil
Structure of GDPCP BipA
分子名称: GTP-BINDING PROTEIN, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Kumar, V, Chen, Y, Ero, R, Li, Z, Gao, Y.
登録日2015-07-23
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
5ZF2
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BU of 5zf2 by Molmil
Crystal structure of Trxlp from Edwardsiella tarda EIB202
分子名称: SULFATE ION, Thioredoxin (H-type,TRX-H)
著者Yang, C, Quan, S.
登録日2018-03-02
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The Edwardsiella piscicida thioredoxin-like protein inhibits ASK1-MAPKs signaling cascades to promote pathogenesis during infection.
Plos Pathog., 15, 2019
5A9Y
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BU of 5a9y by Molmil
Structure of ppGpp BipA
分子名称: GTP-BINDING PROTEIN, GUANOSINE-5',3'-TETRAPHOSPHATE
著者Kumar, V, Chen, Y, Ero, R, Li, Z, Gao, Y.-G.
登録日2015-07-23
公開日2015-08-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
5A9X
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BU of 5a9x by Molmil
Structure of GDP bound BipA
分子名称: GTP-BINDING PROTEIN, GUANOSINE-5'-DIPHOSPHATE
著者Kumar, V, Chen, Y, Ero, R, Li, Z, Gao, Y.-G.
登録日2015-07-23
公開日2015-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
3E4H
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BU of 3e4h by Molmil
Crystal structure of the cyclotide varv F
分子名称: Varv peptide F,Varv peptide F
著者Hu, S.H.
登録日2008-08-11
公開日2009-02-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Combined X-ray and NMR Analysis of the Stability of the Cyclotide Cystine Knot Fold That Underpins Its Insecticidal Activity and Potential Use as a Drug Scaffold
J.Biol.Chem., 284, 2009
7WM0
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BU of 7wm0 by Molmil
Cryo-EM structure of the Omicron RBD in complex with 35B5 Fab( local refinement of the RBD and 35B5 Fab)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X, Zhu, Y.
登録日2022-01-14
公開日2022-08-17
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope
Cell Host Microbe, 30, 2022
6K0B
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BU of 6k0b by Molmil
cryo-EM structure of archaeal Ribonuclease P with mature tRNA
分子名称: 50S ribosomal protein L7Ae, RPR, Ribonuclease P protein component 1, ...
著者Wan, F, Lan, P, Wu, J, Lei, M.
登録日2019-05-05
公開日2019-06-19
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-electron microscopy structure of an archaeal ribonuclease P holoenzyme.
Nat Commun, 10, 2019
7WLY
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BU of 7wly by Molmil
Cryo-EM structure of the Omicron S in complex with 35B5 Fab(1 down- and 2 up RBDs)
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, Heavy chain of 35B5 Fab, ...
著者Wang, X, Zhu, Y.
登録日2022-01-14
公開日2022-05-25
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope.
Cell Host Microbe, 30, 2022
7WLZ
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BU of 7wlz by Molmil
Cryo-EM structure of the Omicron S in complex with 35B5 Fab(1 down-, 1 up- and 1 invisible RBDs)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X, Zhu, Y.
登録日2022-01-14
公開日2022-05-25
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope.
Cell Host Microbe, 30, 2022
6K0A
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BU of 6k0a by Molmil
cryo-EM structure of an archaeal Ribonuclease P
分子名称: 50S ribosomal protein L7Ae, RPR, Ribonuclease P protein component 1, ...
著者Wan, F, Lan, P, Wu, J, Lei, M.
登録日2019-05-05
公開日2019-06-19
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-electron microscopy structure of an archaeal ribonuclease P holoenzyme.
Nat Commun, 10, 2019
4PW2
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BU of 4pw2 by Molmil
Crystal structure of D-glucuronyl C5 epimerase
分子名称: CITRIC ACID, D-glucuronyl C5 epimerase B
著者Ke, J, Qin, Y, Gu, X, Brunzelle, J.S, Xu, H.E, Ding, K.
登録日2014-03-18
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Study of d-Glucuronyl C5-epimerase.
J.Biol.Chem., 290, 2015
7PUU
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BU of 7puu by Molmil
Crystal structure of carbonic anhydrase XII with methyl 4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzoate
分子名称: 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-09-30
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7Q0D
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BU of 7q0d by Molmil
Human carbonic anhydrase I in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Carbonic anhydrase 1, ...
著者Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-10-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7PUW
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BU of 7puw by Molmil
Crystal structure of carbonic anhydrase XII with methyl 2-chloro-4-[(2-phenylethyl)sulfanyl]-5-sulfamoylbenzoate
分子名称: 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-09-30
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7PUV
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BU of 7puv by Molmil
Crystal structure of carbonic anhydrase XII with methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate
分子名称: 1,2-ETHANEDIOL, Carbonic anhydrase 12, DI(HYDROXYETHYL)ETHER, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-09-30
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7Q0E
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BU of 7q0e by Molmil
Human Carbonic Anhydrase II in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate
分子名称: BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-10-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7Q0C
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BU of 7q0c by Molmil
Mimic carbonic anhydrase IX in complex with Methyl 2-chloro-4-(cyclohexylsulfanyl)-5-sulfamoylbenzoate
分子名称: ACETATE ION, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-10-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
3DVG
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BU of 3dvg by Molmil
Crystal structure of K63-specific fab Apu.3A8 bound to K63-linked di-ubiquitin
分子名称: Human IgG1 fab fragment heavy chain, Human IgG1 fab fragment light chain, Ubiquitin, ...
著者Hymowitz, S.G.
登録日2008-07-18
公開日2008-09-30
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ubiquitin chain editing revealed by polyubiquitin linkage-specific antibodies.
Cell(Cambridge,Mass.), 134, 2008
3DVN
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BU of 3dvn by Molmil
Crystal structure of K63-specific fab Apu2.16 bound to K63-linked di-ubiquitin
分子名称: Human IgG1 fab fragment heavy chain, Human IgG1 fab fragment light chain, Ubiquitin, ...
著者Hymowitz, S.G.
登録日2008-07-18
公開日2008-09-30
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ubiquitin chain editing revealed by polyubiquitin linkage-specific antibodies.
Cell(Cambridge,Mass.), 134, 2008
7OC7
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BU of 7oc7 by Molmil
LasB, alpha-alkyl-N-aryl mercaptoacetamide
分子名称: (2R)-N,3-diphenyl-2-sulfanyl-propanamide, CALCIUM ION, Neutral metalloproteinase, ...
著者Koehnke, J, Sikandar, A.
登録日2021-04-26
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Substrate-Inspired Fragment Merging and Growing Affords Efficacious LasB Inhibitors.
Angew.Chem.Int.Ed.Engl., 61, 2022
6K2U
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BU of 6k2u by Molmil
Crystal structure of Thr66 ADP-ribosylated ubiquitin
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, Polyubiquitin-C, ...
著者Wang, X, Zhou, Y, Zhu, Y.
登録日2019-05-15
公開日2020-03-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.554 Å)
主引用文献Threonine ADP-Ribosylation of Ubiquitin by a Bacterial Effector Family Blocks Host Ubiquitination.
Mol.Cell, 78, 2020
8GOU
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BU of 8gou by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-25
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
分子名称: Spike protein S1, scFv
著者Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
登録日2022-08-27
公開日2023-06-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023

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