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7RUH
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BU of 7ruh by Molmil
Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with XR844
分子名称: Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide
著者Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R.
登録日2021-08-17
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with XR844
To Be Published
7RUI
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BU of 7rui by Molmil
Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844
分子名称: Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide
著者Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R.
登録日2021-08-17
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844
To Be Published
6AEI
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BU of 6aei by Molmil
Cryo-EM structure of the receptor-activated TRPC5 ion channel
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
著者Duan, J, Li, Z, Li, J, Zhang, J.
登録日2018-08-05
公開日2019-08-07
最終更新日2019-08-14
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Cryo-EM structure of TRPC5 at 2.8- angstrom resolution reveals unique and conserved structural elements essential for channel function.
Sci Adv, 5, 2019
1KEO
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BU of 1keo by Molmil
TWISTS AND TURNS OF THE CD-MPR: LIGAND-BOUND VERSUS LIGAND-FREE RECEPTOR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, cation-dependent mannose-6-phosphate receptor
著者Olson, L.J, Zhang, J, Dahms, N.M, Kim, J.J.
登録日2001-11-16
公開日2002-01-23
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Twists and turns of the cation-dependent mannose 6-phosphate receptor. Ligand-bound versus ligand-free receptor
J.Biol.Chem., 277, 2002
7C2Q
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BU of 7c2q by Molmil
The crystal structure of COVID-19 main protease in the apo state
分子名称: 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J.
登録日2020-05-08
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure of SARS-CoV-2 main protease in the apo state.
Sci China Life Sci, 64, 2021
5V9U
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BU of 5v9u by Molmil
Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C
分子名称: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ...
著者Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y.
登録日2017-03-23
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
7W75
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BU of 7w75 by Molmil
Crystal structure of the K. lactis Bre1 RBD in complex with Rad6, crystal form I
分子名称: E3 ubiquitin-protein ligase BRE1, Ubiquitin-conjugating enzyme E2 2
著者Shi, M, Zhao, J, Xiang, S.
登録日2021-12-03
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for the Rad6 activation by the Bre1 N-terminal domain.
Elife, 12, 2023
7W76
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Crystal structure of the K. lactis Bre1 RBD in complex with Rad6, crystal form II
分子名称: E3 ubiquitin-protein ligase BRE1, GLYCEROL, SULFATE ION, ...
著者Shi, M, Zhao, J, Xiang, S.
登録日2021-12-03
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural basis for the Rad6 activation by the Bre1 N-terminal domain.
Elife, 12, 2023
8GX3
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BU of 8gx3 by Molmil
The crystal structure of human Calpain-1 protease core in complex with 14c
分子名称: CALCIUM ION, Calpain-1 catalytic subunit, N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide
著者Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z.
登録日2022-09-18
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The crystal structure of human Calpain-1 protease core in complex with 14c
To Be Published
8DZF
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BU of 8dzf by Molmil
Cryo-EM structure of bundle-forming pilus extension ATPase from E.coli in the presence of AMP-PNP (class-2)
分子名称: BfpD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ZINC ION
著者Nayak, A.R, Zhao, J, Donnenberg, M.S, Samso, M.
登録日2022-08-07
公開日2022-10-26
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Cryo-EM Structure of the Type IV Pilus Extension ATPase from Enteropathogenic Escherichia coli.
Mbio, 13, 2022
8DZE
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BU of 8dze by Molmil
Cryo-EM structure of bundle-forming pilus extension ATPase from E. coli in the presence of AMP-PNP (class-1)
分子名称: BfpD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ZINC ION
著者Nayak, A.R, Zhao, J, Donnenberg, M.S, Samso, M.
登録日2022-08-07
公開日2022-10-26
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Cryo-EM Structure of the Type IV Pilus Extension ATPase from Enteropathogenic Escherichia coli.
Mbio, 13, 2022
8DZG
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BU of 8dzg by Molmil
Cryo-EM structure of bundle-forming pilus extension ATPase from E.coli in the presence of ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, BfpD, MAGNESIUM ION, ...
著者Nayak, A.R, Zhao, J, Donnenberg, M.S, Samso, M.
登録日2022-08-07
公開日2022-10-26
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM Structure of the Type IV Pilus Extension ATPase from Enteropathogenic Escherichia coli.
Mbio, 13, 2022
8GX2
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BU of 8gx2 by Molmil
The crystal structure of human CtsL in complex with 14c
分子名称: DIMETHYL SULFOXIDE, N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L
著者Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z.
登録日2022-09-18
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of human CtsL in complex with 14a
To Be Published
5VM7
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BU of 5vm7 by Molmil
Pseudo-atomic model of the MurA-A2 complex
分子名称: Maturation protein A2, UDP-N-acetylglucosamine 1-carboxyvinyltransferase
著者Cui, Z, Zhang, J.
登録日2017-04-26
公開日2017-10-18
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Structures of Q beta virions, virus-like particles, and the Q beta-MurA complex reveal internal coat proteins and the mechanism of host lysis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3V7E
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BU of 3v7e by Molmil
Crystal structure of YbxF bound to the SAM-I riboswitch aptamer
分子名称: COBALT HEXAMMINE(III), MAGNESIUM ION, Ribosome-associated protein L7Ae-like, ...
著者Baird, N.J, Zhang, J, Hamma, T, Ferre-D'Amare, A.R.
登録日2011-12-21
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献YbxF and YlxQ are bacterial homologs of L7Ae and bind K-turns but not K-loops.
Rna, 18, 2012
3V7Q
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BU of 3v7q by Molmil
Crystal structure of B. subtilis YlxQ at 1.55 A resolution
分子名称: CITRIC ACID, POTASSIUM ION, Probable ribosomal protein ylxQ
著者Baird, N.J, Zhang, J, Hamma, T, Ferre-D'Amare, A.R.
登録日2011-12-21
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献YbxF and YlxQ are bacterial homologs of L7Ae and bind K-turns but not K-loops.
Rna, 18, 2012
7CVH
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BU of 7cvh by Molmil
Human Fructose-1,6-bisphosphatase 1 in complex with geranylgeranyl diphosphate
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
著者Chen, Y, Zhang, J, Li, C, Cao, Y.
登録日2020-08-26
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The structural basis for GGPP activation on the enzymatic activities FBP1
To Be Published
8TUM
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BU of 8tum by Molmil
Type IV pilus from Pseudomonas PAO1 strain
分子名称: Type IV major pilin protein PilA
著者Thongchol, J, Zhang, J, Zeng, L.
登録日2023-08-16
公開日2024-03-13
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Removal of Pseudomonas type IV pili by a small RNA virus.
Science, 384, 2024
8TUX
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BU of 8tux by Molmil
Capsid of mature PP7 virion with 3'end region of PP7 genomic RNA
分子名称: 3'end of PP7 genomic RNA, Capsid protein, Maturation protein A
著者Thongchol, J, Zhang, J, Zeng, L.
登録日2023-08-17
公開日2024-03-13
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Removal of Pseudomonas type IV pili by a small RNA virus.
Science, 384, 2024
8TUW
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BU of 8tuw by Molmil
Type IV pilus from Pseudomonas PAO1 strain with PP7 Maturation protein
分子名称: Maturation protein A, Type IV major pilin protein PilA
著者Thongchol, J, Zhang, J, Zeng, L.
登録日2023-08-17
公開日2024-03-13
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (7.9 Å)
主引用文献Removal of Pseudomonas type IV pili by a small RNA virus.
Science, 384, 2024
3ZD9
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BU of 3zd9 by Molmil
Potassium bound structure of E. coli ExoIX in P21
分子名称: POTASSIUM ION, PROTEIN XNI
著者Anstey-Gilbert, C.S, Hemsworth, G.R, Flemming, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J.
登録日2012-11-26
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases
Nucleic Acids Res., 41, 2013
1C39
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STRUCTURE OF CATION-DEPENDENT MANNOSE 6-PHOSPHATE RECEPTOR BOUND TO PENTAMANNOSYL PHOSPHATE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose, CATION-DEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR, ...
著者Olson, L.J, Zhang, J, Lee, Y.C, Dahms, N.M, Kim, J.J.-P.
登録日1999-07-25
公開日2000-01-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis for recognition of phosphorylated high mannose oligosaccharides by the cation-dependent mannose 6-phosphate receptor.
J.Biol.Chem., 274, 1999
3ZDA
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BU of 3zda by Molmil
Structure of E. coli ExoIX in complex with a fragment of the Flap1 DNA oligonucleotide, potassium and magnesium
分子名称: 5'-D(*AP*AP*GP*CP*GP*CP)-3', 5'-D(*GP*CP*GP*CP)-3', MAGNESIUM ION, ...
著者Hemsworth, G.R, Anstey-Gilbert, C.S, Flemming, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J.
登録日2012-11-26
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases
Nucleic Acids Res., 41, 2013
5CTW
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BU of 5ctw by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(butanoylamino)thiophene-3-carboxamide, CHLORIDE ION, ...
著者Andersen, O.A, Barker, J, Hadfield, A.T, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
登録日2015-07-24
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CTX
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BU of 5ctx by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, DNA gyrase subunit B, ...
著者Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
登録日2015-07-24
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016

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