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8I4S
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BU of 8i4s by Molmil
the complex structure of SARS-CoV-2 Mpro with D8
分子名称: 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein
著者Lu, M.
登録日2023-01-21
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
8HUG
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BU of 8hug by Molmil
F1 in complex with CRM1-Ran-RanBP1
分子名称: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid, CHLORIDE ION, CRM1 isoform 1, ...
著者Sun, Q, Lei, Y.
登録日2022-12-23
公開日2023-12-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of a Hidden Pocket beneath the NES Groove by Novel Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
8HUF
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BU of 8huf by Molmil
B28 in complex with CRM1-Ran-RanBP1
分子名称: 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid, BROMIDE ION, CHLORIDE ION, ...
著者Sun, Q, Lei, Y.
登録日2022-12-23
公開日2023-12-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Discovery of a Hidden Pocket beneath the NES Groove by Novel Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
7CHA
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BU of 7cha by Molmil
Cryo-EM structure of P.aeruginosa MlaFEBD with AMPPNP
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, MlaD domain-containing protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Zhou, C, Shi, H, Zhang, M, Huang, Y.
登録日2020-07-05
公開日2021-05-19
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa.
J.Mol.Biol., 433, 2021
7CH6
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Cryo-EM structure of E.coli MlaFEB with AMPPNP
分子名称: Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Zhou, C, Shi, H, Zhang, M, Huang, Y.
登録日2020-07-05
公開日2021-08-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa.
J.Mol.Biol., 433, 2021
8K5N
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BU of 8k5n by Molmil
Discovery of Novel PD-L1 Inhibitors That Induce Dimerization and Degradation of PD-L1 Based on Fragment Coupling Strategy
分子名称: 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide, Programmed cell death 1 ligand 1
著者Cheng, Y, Xiao, Y.B.
登録日2023-07-22
公開日2024-01-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Novel PD-L1 Inhibitors That Induce the Dimerization, Internalization, and Degradation of PD-L1 Based on the Fragment Coupling Strategy.
J.Med.Chem., 66, 2023
7CH8
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BU of 7ch8 by Molmil
Cryo-EM structure of P.aeruginosa MlaFEBD with ADP-V
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ADP METAVANADATE, MAGNESIUM ION, ...
著者Zhou, C, Shi, H, Zhang, M, Huang, Y.
登録日2020-07-05
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa.
J.Mol.Biol., 433, 2021
7CH9
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Cryo-EM structure of P.aeruginosa MlaFEBD
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, MlaD domain-containing protein, Probable ATP-binding component of ABC transporter, ...
著者Zhou, C, Shi, H, Zhang, M, Huang, Y.
登録日2020-07-05
公開日2021-10-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa.
J.Mol.Biol., 433, 2021
1Q5X
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Structure of OF RRAA (MENG), a protein inhibitor of RNA processing
分子名称: REGULATOR OF RNASE E ACTIVITY A
著者Monzingo, A.F, Gao, J, Qiu, J, Georgiou, G, Robertus, J.D.
登録日2003-08-11
公開日2003-09-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The X-ray Structure of Escherichia coli RraA (MenG), A Protein Inhibitor of RNA Processing.
J.Mol.Biol., 332, 2003
7VQD
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BU of 7vqd by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and geranylgeranyl pyrophosphate.
分子名称: Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, NerylNeryl pyrophosphate, ...
著者Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
登録日2021-10-19
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQB
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Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and dimethylallyl diphosphate
分子名称: DIMETHYLALLYL DIPHOSPHATE, Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, ...
著者Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
登録日2021-10-19
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQA
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Structure of MA1831 from Methanosarcina acetivorans in complex with dimethylallyl diphosphate.
分子名称: DIMETHYLALLYL DIPHOSPHATE, Di-trans-poly-cis-decaprenylcistransferase, MAGNESIUM ION, ...
著者Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
登録日2021-10-19
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQ9
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Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl thiopyrophosphate and isopentyl S-thiolodiphosphate
分子名称: 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid, Di-trans-poly-cis-decaprenylcistransferase, MAGNESIUM ION, ...
著者Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
登録日2021-10-19
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQC
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BU of 7vqc by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with pyrophosphate
分子名称: Di-trans-poly-cis-decaprenylcistransferase, PYROPHOSPHATE 2-, SULFATE ION
著者Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
登録日2021-10-19
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
5XOE
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BU of 5xoe by Molmil
Crystal Structure of the apo Staphylococcus aureus phosphofructokinase
分子名称: ATP-dependent 6-phosphofructokinase
著者Wang, C, Tian, T, Zang, J.
登録日2017-05-27
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
6JWE
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BU of 6jwe by Molmil
structure of RET G-quadruplex in complex with colchicine
分子名称: DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'), N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
著者Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C.
登録日2019-04-20
公開日2020-02-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
6JWD
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structure of RET G-quadruplex in complex with berberine
分子名称: BERBERINE, DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3')
著者Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C.
登録日2019-04-19
公開日2020-04-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
5XLO
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BU of 5xlo by Molmil
Anti-CRISPR proteins AcrF1/2 bound to Csy surveillance complex with a 32nt spacer crRNA backbone region
分子名称: CRISPR-associated protein Csy3, Uncharacterized protein AcrF1, crRNA with 32nt spacer sequence
著者Peng, R, Shi, Y, Gao, G.F.
登録日2017-05-11
公開日2018-01-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Alternate binding modes of anti-CRISPR viral suppressors AcrF1/2 to Csy surveillance complex revealed by cryo-EM structures.
Cell Res., 27, 2017
6KWD
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Crystal Structure Analysis of Endo-beta-1,4-Xylanase II Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION, ...
著者Li, C, Wan, Q.
登録日2019-09-06
公開日2020-12-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.298 Å)
主引用文献Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
6KW9
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Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION
著者Li, C, Wan, Q.
登録日2019-09-06
公開日2020-12-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
5XZA
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BU of 5xza by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent 6-phosphofructokinase, CITRATE ANION, ...
著者Wang, C.L, Tian, T, Zang, J.Y.
登録日2017-07-12
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
7CRC
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BU of 7crc by Molmil
Cryo-EM structure of plant NLR RPP1 tetramer in complex with ATR1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Avirulence protein ATR1, ...
著者Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J.
登録日2020-08-13
公開日2020-12-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme.
Science, 370, 2020
5XZ8
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Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate (the ATP analog) and fructose-6-phosphate
分子名称: 6-O-phosphono-beta-D-fructofuranose, ATP-dependent 6-phosphofructokinase, GLYCEROL, ...
著者Wang, C.L, Tian, T, Zang, J.Y.
登録日2017-07-11
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
6KWF
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Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION, ...
著者Li, C, Wan, Q.
登録日2019-09-06
公開日2020-12-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
6KWG
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Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Li, C, Wan, Q.
登録日2019-09-06
公開日2020-12-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020

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