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7EW9
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BU of 7ew9 by Molmil
GDP-bound KRAS G12D in complex with TH-Z816
分子名称: 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T.
登録日2021-05-25
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
7EWB
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BU of 7ewb by Molmil
GDP-bound KRAS G12D in complex with TH-Z835
分子名称: 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T.
登録日2021-05-25
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
7EWA
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BU of 7ewa by Molmil
GDP-bound KRAS G12D in complex with TH-Z827
分子名称: 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T.
登録日2021-05-25
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
8GK7
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BU of 8gk7 by Molmil
MsbA bound to cerastecin C
分子名称: 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Chen, Y, Klein, D.
登録日2023-03-17
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii
Nat Microbiol, 2024
6NDY
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BU of 6ndy by Molmil
Vps4 with Cyclic Peptide Bound in the Central Pore
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Designed Cyclic Peptide, ...
著者Han, H, Fulcher, J.M, Dandey, V.P, Sundquist, W.I, Kay, M.S, Shen, P, Hill, C.P.
登録日2018-12-14
公開日2019-08-21
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of Vps4 with circular peptides and implications for translocation of two polypeptide chains by AAA+ ATPases.
Elife, 8, 2019
6OO2
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BU of 6oo2 by Molmil
Vps4 with Cyclic Peptide Bound in the Central Pore
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Designed Cyclic Peptide, ...
著者Han, H, Fulcher, J.M, Dandey, V.P, Sundquist, W.I, Kay, M.S, Shen, P, Hill, C.P.
登録日2019-04-22
公開日2019-08-21
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structure of Vps4 with circular peptides and implications for translocation of two polypeptide chains by AAA+ ATPases.
Elife, 8, 2019
8HJT
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Crystal Structure of Intracellular B30.2 Domain of VpBTN3 and VpBTN2 in Complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Butyrophylin 3, ...
著者Yang, Y.Y, Shen, P.P, Li, X, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-11-23
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8IHQ
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BU of 8ihq by Molmil
Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3
分子名称: Amidohydrolase family protein, ZINC ION
著者Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2023-02-23
公開日2023-08-30
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
8IHS
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Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with ochratoxin A
分子名称: (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, Amidohydrolase family protein, ZINC ION
著者Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2023-02-23
公開日2023-08-30
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
8IHR
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BU of 8ihr by Molmil
Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with Phe
分子名称: Amidohydrolase family protein, PHENYLALANINE, ZINC ION
著者Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2023-02-23
公開日2023-08-30
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
8J85
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BU of 8j85 by Molmil
Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 mutant S88E in complex with ochratoxin A
分子名称: (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, Amidohydrolase family protein, ZINC ION
著者Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2023-04-30
公開日2023-08-30
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
5UIE
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BU of 5uie by Molmil
Vps4-Vta1 complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DOA4-independent degradation protein 4, ...
著者Monroe, N, Shen, P, Han, H, Sundquist, W.I, Hill, C.P.
登録日2017-01-13
公開日2017-04-12
最終更新日2020-01-01
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Structural basis of protein translocation by the Vps4-Vta1 AAA ATPase.
Elife, 6, 2017
7Y97
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BU of 7y97 by Molmil
Crystal structure of CYP109B4 from Bacillus Sonorensis
分子名称: Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE
著者Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T.
登録日2022-06-24
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
7Y9O
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BU of 7y9o by Molmil
Crystal structure of a CYP109B4 variant from Bacillus sonorensis
分子名称: CALCIUM ION, Cytochrome P450 monooxygenase YjiB, IMIDAZOLE, ...
著者Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T.
登録日2022-06-25
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
7Y98
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BU of 7y98 by Molmil
Crystal structure of CYP109B4 from Bacillus Sonorensis in complex with Testosterone
分子名称: Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE
著者Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T.
登録日2022-06-24
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
6AP1
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BU of 6ap1 by Molmil
Vps4p-Vta1p complex with peptide binding to the central pore of Vps4p
分子名称: ACE-ASP-GLU-ILE-VAL-ASN-LYS-VAL-LEU-NH2, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
著者Han, H, Monroe, N, Shen, P, Sundquist, W.I, Hill, C.P.
登録日2017-08-16
公開日2017-12-06
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The AAA ATPase Vps4 binds ESCRT-III substrates through a repeating array of dipeptide-binding pockets.
Elife, 6, 2017
6BMF
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BU of 6bmf by Molmil
Vps4p-Vta1p complex with peptide binding to the central pore of Vps4p
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
著者Han, H, Monroe, N, Shen, P, Sundquist, W.I, Hill, C.P.
登録日2017-11-14
公開日2017-12-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The AAA ATPase Vps4 binds ESCRT-III substrates through a repeating array of dipeptide-binding pockets.
Elife, 6, 2017
8IH4
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BU of 8ih4 by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN2A2 Mutant
分子名称: Butyrophilin subfamily 2 member A2
著者Yang, Y.Y, Yi, S.M, Zhang, M.T, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2023-02-22
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8IGT
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BU of 8igt by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN2A1
分子名称: Butyrophilin subfamily 2 member A1, ZINC ION
著者Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2023-02-21
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8IZE
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BU of 8ize by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 4-HMBPP
分子名称: Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, [(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate
著者Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T.
登録日2023-04-07
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8IZG
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BU of 8izg by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 5-HMBPP
分子名称: 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ...
著者Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T.
登録日2023-04-07
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8IXV
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BU of 8ixv by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A in complex with 2Cl-HMBPP
分子名称: 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ...
著者Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T.
登録日2023-04-03
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8JYB
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BU of 8jyb by Molmil
Crystal Structure of Intracellular B30.2 Domain of VpBTN3
分子名称: Butyrophylin 3, SULFATE ION
著者Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-07-03
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8JY9
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BU of 8jy9 by Molmil
Crystal Structure of Intracellular B30.2 Domain of VpBTN3 in Complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophylin 3, SULFATE ION
著者Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-07-03
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8JYA
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BU of 8jya by Molmil
Crystal Structure of Intracellular B30.2 Domain of VpBTN3 in Complex with IPP
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Butyrophylin 3, SULFATE ION
著者Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-07-03
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023

 

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