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7D00
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BU of 7d00 by Molmil
S protein of SARS-CoV-2 in complex bound with FabP5A-1B8
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, IG c642_heavy_IGHV3-53_IGHD1-26_IGHJ6,chain H of FabP5A-1B8,IGH@ protein, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
登録日2020-09-09
公開日2021-03-10
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7CZW
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BU of 7czw by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-2G7
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, IGL c2312_light_IGLV2-14_IGLJ2,IGL@ protein, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
登録日2020-09-09
公開日2021-03-10
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7D03
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BU of 7d03 by Molmil
S protein of SARS-CoV-2 in complex bound with FabP5A-2G7
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, IGL c2312_light_IGLV2-14_IGLJ2,IGL@ protein, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
登録日2020-09-09
公開日2021-03-10
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
5Y8W
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BU of 5y8w by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-21
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y94
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BU of 5y94 by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5J9U
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BU of 5j9u by Molmil
Crystal structure of the NuA4 core complex
分子名称: Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ...
著者Chen, Z.C, Xu, P.
登録日2016-04-11
公開日2016-10-26
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism
Mol.Cell, 63, 2016
1TV6
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BU of 1tv6 by Molmil
HIV-1 Reverse Transcriptase Complexed with CP-94,707
分子名称: 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-1-YL)BENZYL]-3H-BENZOTHIAZOL-2-ONE, reverse transcriptase p51 subunit, reverse transcriptase p66 subunit
著者Pata, J.D, Stirtan, W.G, Goldstein, S.W, Steitz, T.A.
登録日2004-06-28
公開日2004-07-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of HIV-1 reverse transcriptase bound to an inhibitor active against mutant RTs resistant to other non-nucleoside inhibitors
Proc.Natl.Acad.Sci.USA, 101, 2004
5Y8Z
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BU of 5y8z by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
2PNT
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BU of 2pnt by Molmil
Crystal structure of the PDZ domain of human GRASP (GRP1) in complex with the C-terminal peptide of the metabotropic glutamate receptor type 1
分子名称: CHLORIDE ION, General receptor for phosphoinositides 1-associated scaffold protein
著者Elkins, J, Papagrigoriou, E, Cooper, C, Gileadi, C, Uppenberg, J, Bray, J, von Delft, F, Pike, A.C.W, Ugochukwu, E, Umeano, C, Gileadi, O, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2007-04-25
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.148 Å)
主引用文献Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms
Protein Sci., 19, 2010
1T8X
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BU of 1t8x by Molmil
r106g kdo8ps with pep and a5p
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, ARABINOSE-5-PHOSPHATE, CADMIUM ION, ...
著者Gatti, D.L.
登録日2004-05-13
公開日2005-06-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
4HZU
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BU of 4hzu by Molmil
Structure of a bacterial energy-coupling factor transporter
分子名称: Energy-coupling factor transporter ATP-binding protein EcfA 1, Energy-coupling factor transporter ATP-binding protein EcfA 2, Energy-coupling factor transporter transmembrane protein EcfT, ...
著者Wang, T.L, Fu, G.B, Pan, X.J, Shi, Y.G.
登録日2012-11-15
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Structure of a bacterial energy-coupling factor transporter.
Nature, 497, 2013
4RBW
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BU of 4rbw by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Thr7Arg Glu21Arg mutant)
分子名称: CHLORIDE ION, Defensin-5, SULFATE ION
著者Pazgier, M, Gohain, N, Tolbert, W.D.
登録日2014-09-13
公開日2015-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design of a potent antibiotic peptide based on the active region of human defensin 5.
J.Med.Chem., 58, 2015
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
5Y8C
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BU of 5y8c by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-21
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
8XAB
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BU of 8xab by Molmil
Crystal structure of Ubl1 domain of nonstructural protein 3 of SARS-CoV-2
分子名称: GLYCEROL, Papain-like protease nsp3
著者Li, Y, Ke, Z.
登録日2023-12-03
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献N-terminus of SARS-CoV-2 Nsp3 Interrupts RNA-driven Phase Separation of N Protein by Displacing RNA
To Be Published
6CHW
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BU of 6chw by Molmil
Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942.
分子名称: 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ...
著者Larsen, N.A.
登録日2018-02-23
公開日2018-03-21
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
4IS7
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BU of 4is7 by Molmil
Crystal Structure of the CASKIN2 SAM Domain Tandem
分子名称: Caskin-2
著者Donaldson, L.W, Kwan, J.J.
登録日2013-01-16
公開日2014-02-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.751 Å)
主引用文献Crystal Structure of the CASKIN2 SAM Domain Tandem
To be Published
8JHQ
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BU of 8jhq by Molmil
Cryo-EM structure of human S1P transporter SPNS2 bound with S1P
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2,GlgA glycogen synthase
著者Pang, B, Yu, L.Y, Ren, R.B.
登録日2023-05-25
公開日2024-01-10
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular basis of Spns2-facilitated sphingosine-1-phosphate transport.
Cell Res., 34, 2024
8JHR
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BU of 8jhr by Molmil
Cryo-EM structure of human S1P transporter SPNS2 bound with an inhibitor 16d
分子名称: 3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine, Sphingosine-1-phosphate transporter SPNS2
著者Pang, B, Yu, L.Y, Ren, R.B.
登録日2023-05-25
公開日2024-01-10
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Molecular basis of Spns2-facilitated sphingosine-1-phosphate transport.
Cell Res., 34, 2024
8GWB
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BU of 8gwb by Molmil
SARS-CoV-2 E-RTC complex with RNA-nsp9
分子名称: Helicase, MANGANESE (II) ION, Non-structural protein 7, ...
著者Yan, L.M, Rao, Z.H, Lou, Z.Y.
登録日2022-09-16
公開日2022-12-07
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWE
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BU of 8gwe by Molmil
SARS-CoV-2 E-RTC complex with RNA-nsp9 and GMPPNP
分子名称: Helicase nsp13, MAGNESIUM ION, Non-structural protein 8, ...
著者Yan, L.M, Rao, Z.H, Lou, Z.Y.
登録日2022-09-16
公開日2023-01-11
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWF
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BU of 8gwf by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ...
著者Yan, L.Y, Huang, Y.C, Rao, Z.H, Lou, Z.Y.
登録日2022-09-17
公開日2023-01-11
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
7L9P
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BU of 7l9p by Molmil
Structure of human SHLD2-SHLD3-REV7-TRIP13(E253Q) complex
分子名称: Mitotic spindle assembly checkpoint protein MAD2B, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Pachytene checkpoint protein 2 homolog, ...
著者Xie, W, Patel, D.J.
登録日2021-01-04
公開日2021-03-03
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular mechanisms of assembly and TRIP13-mediated remodeling of the human Shieldin complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
5Z96
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BU of 5z96 by Molmil
Structure of the mouse TRPC4 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2018-02-02
公開日2018-04-18
最終更新日2018-08-29
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structure of the mouse TRPC4 ion channel.
Nat Commun, 9, 2018
8GW1
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BU of 8gw1 by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
分子名称: Helicase, MANGANESE (II) ION, Non-structural protein 7, ...
著者Yan, L, Rao, Z, Lou, Z.
登録日2022-09-16
公開日2023-10-25
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022

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