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4Q2W
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BU of 4q2w by Molmil
Crystal Structure of pneumococcal peptidoglycan hydrolase LytB
分子名称: GLYCEROL, Putative endo-beta-N-acetylglucosaminidase
著者Bai, X.H, Chen, H.J, Jiang, Y.L, Wen, Z, Cheng, W, Li, Q, Zhang, J.R, Chen, Y, Zhou, C.Z.
登録日2014-04-10
公開日2014-07-16
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of pneumococcal peptidoglycan hydrolase LytB reveals insights into the bacterial cell wall remodeling and pathogenesis.
J.Biol.Chem., 289, 2014
6M54
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BU of 6m54 by Molmil
Human apo ferritin frozen on TEM grid with Amorphous nickel titanium alloy supporting film
分子名称: FE (II) ION, Ferritin heavy chain
著者Huang, X, Zhang, L, Wen, Z, Chen, H, Li, S, Ji, G, Yin, C, Sun, F.
登録日2020-03-09
公開日2020-05-13
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Amorphous nickel titanium alloy film: A new choice for cryo electron microscopy sample preparation.
Prog.Biophys.Mol.Biol., 156, 2020
6M52
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BU of 6m52 by Molmil
Human apo ferritin frozen on TEM grid with amorphous carbon supporting film
分子名称: FE (II) ION, Ferritin heavy chain
著者Huang, X, Zhang, L, Wen, Z, Chen, H, Li, S, Ji, G, Yin, C, Sun, F.
登録日2020-03-09
公開日2020-05-13
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Amorphous nickel titanium alloy film: A new choice for cryo electron microscopy sample preparation.
Prog.Biophys.Mol.Biol., 156, 2020
8H77
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BU of 8h77 by Molmil
Hsp90-AhR-p23-XAP2 complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ...
著者Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F.
登録日2022-10-19
公開日2023-01-04
最終更新日2023-03-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of the cytosolic AhR complex.
Structure, 31, 2023
7Y04
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BU of 7y04 by Molmil
Hsp90-AhR-p23 complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Aryl hydrocarbon receptor, BERYLLIUM TRIFLUORIDE ION, ...
著者Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F.
登録日2022-06-03
公開日2023-01-04
最終更新日2023-03-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of the cytosolic AhR complex.
Structure, 31, 2023
7VAA
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BU of 7vaa by Molmil
Crystal structure of MiCGT(W93V/V124F/ F191A/R282H) in complex with UDPs
分子名称: UDP-glycosyltransferase 13, URIDINE-5'-DIPHOSPHATE
著者Zhong, L, Zhang, Z.M.
登録日2021-08-27
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.10002756 Å)
主引用文献Directed Evolution of a Plant Glycosyltransferase for Chemo- and Regioselective Glycosylation of Pharmaceutically Significant Flavonoids
Acs Catalysis, 11, 2021
7VA8
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BU of 7va8 by Molmil
Crystal structure of MiCGT
分子名称: UDP-glycosyltransferase 13, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Zhong, L, Zhang, Z.M.
登録日2021-08-27
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85003233 Å)
主引用文献Directed Evolution of a Plant Glycosyltransferase for Chemo- and Regioselective Glycosylation of Pharmaceutically Significant Flavonoids
Acs Catalysis, 11, 2021
7XMR
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BU of 7xmr by Molmil
CryoEM structure of the somatostatin receptor 2 (SSTR2) in complex with Gi1 and its endogeneous peptide ligand SST-14
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
登録日2022-04-26
公開日2022-08-03
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XMT
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BU of 7xmt by Molmil
CryoEM structure of somatostatin receptor 4 (SSTR4) with Gi1 and J-2156
分子名称: (2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
登録日2022-04-26
公開日2022-08-03
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XMS
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BU of 7xms by Molmil
CryoEM structure of somatostatin receptor 4 (SSTR4) in complex with Gi1 and its endogeneous ligand SST-14
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
登録日2022-04-26
公開日2022-08-03
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
3G5B
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BU of 3g5b by Molmil
The structure of UNC5b cytoplasmic domain
分子名称: Netrin receptor UNC5B, PHOSPHATE ION
著者Wang, R, Wei, Z, Zhang, M.
登録日2009-02-04
公開日2009-04-07
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Autoinhibition of UNC5b revealed by the cytoplasmic domain structure of the receptor
Mol.Cell, 33, 2009
2LW9
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BU of 2lw9 by Molmil
NMR solution structure of Myo10 anti-CC
分子名称: Unconventionnal myosin-X
著者Ye, F, Lu, Q, Zhang, M.
登録日2012-07-25
公開日2012-09-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Antiparallel coiled-coil-mediated dimerization of myosin X
Proc.Natl.Acad.Sci.USA, 109, 2012
8T9Z
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BU of 8t9z by Molmil
Structural of M8C10 Fab in complex human metapneumovirus fusion protein
分子名称: Fusion glycoprotein F0, M8C10 Fab Heavy Chain, M8C10 Fab Light Chain
著者Su, H.P, Eddins, M.J, Shipman, J.M, Kostas, J, Reid, J.C.
登録日2023-06-26
公開日2023-11-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.995 Å)
主引用文献Structural characterization of M8C10, a neutralizing antibody targeting a highly conserved prefusion-specific epitope on the metapneumovirus fusion trimerization interface.
J.Virol., 97, 2023
7CBT
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BU of 7cbt by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Shi, Y, Peng, G.
登録日2020-06-13
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.346 Å)
主引用文献The preclinical inhibitor GS441524 in combination with GC376 efficaciously inhibited the proliferation of SARS-CoV-2 in the mouse respiratory tract.
Emerg Microbes Infect, 10, 2021
3TV4
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BU of 3tv4 by Molmil
Human B-Raf Kinase Domain in Complex with an Bromopyridine Benzamide Inhibitor
分子名称: N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C, Selby, L.T, Wu, W.-I.
登録日2011-09-19
公開日2011-10-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors.
ACS Med Chem Lett, 2, 2011
3UW4
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BU of 3uw4 by Molmil
Crystal structure of cIAP1 BIR3 bound to GDC0152
分子名称: Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4, GDC0152, ...
著者Maurer, B, Hymowitz, S.
登録日2011-11-30
公開日2012-02-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152).
J.Med.Chem., 55, 2012
3UW5
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BU of 3uw5 by Molmil
Crystal structure of the BIR domain of MLIAP bound to GDC0152
分子名称: Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ...
著者Maurer, B, Hymowitz, S.G.
登録日2011-11-30
公開日2012-02-22
最終更新日2017-08-02
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152).
J.Med.Chem., 55, 2012
6IRR
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BU of 6irr by Molmil
Solution structure of DISC1/ATF4 complex
分子名称: Disrupted in schizophrenia 1 homolog,Cyclic AMP-dependent transcription factor ATF-4
著者Ye, F, Yu, C, Zhang, M.
登録日2018-11-14
公開日2019-09-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural interaction between DISC1 and ATF4 underlying transcriptional and synaptic dysregulation in an iPSC model of mental disorders.
Mol. Psychiatry, 2019
8SK5
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BU of 8sk5 by Molmil
Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH
著者Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y.
登録日2023-04-18
公開日2023-08-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants.
Sci Rep, 13, 2023
6IX4
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BU of 6ix4 by Molmil
Structure of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.51 Angstroms resolution
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Hu, D, Hu, B.C, Hou, X.D, Wu, L, Rao, Y.J, Wu, M.C.
登録日2018-12-09
公開日2019-12-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.511 Å)
主引用文献Nearly perfect kinetic resolution of racemic o-nitrostyrene oxide by AuEH2, a microsomal epoxide hydrolase from Aspergillus usamii, with high enantio- and regio-selectivity.
Int.J.Biol.Macromol., 169, 2021
4EHG
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B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor
分子名称: N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C.
登録日2012-04-02
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
4EHE
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BU of 4ehe by Molmil
B-Raf Kinase Domain in Complex with an Aminothienopyrimidine-based Inhibitor
分子名称: 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C.
登録日2012-04-02
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
3SKC
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BU of 3skc by Molmil
Human B-Raf Kinase in Complex with an Amide Linked Pyrazolopyridine Inhibitor
分子名称: 2,6-difluoro-N-[(5S)-3-methoxy-5H-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C, Sturgis, H.L.
登録日2011-06-22
公開日2011-08-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Pyrazolopyridine inhibitors of B-RafV600E. Part 2: structure-activity relationships.
Bioorg.Med.Chem.Lett., 21, 2011
6OUS
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BU of 6ous by Molmil
Structure of fusion glycoprotein from human respiratory syncytial virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2, ...
著者Su, H.P.
登録日2019-05-05
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献A potent broadly neutralizing human RSV antibody targets conserved site IV of the fusion glycoprotein.
Nat Commun, 10, 2019
3TV6
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Human B-Raf Kinase Domain in Complex with a Methoxypyrazolopyridinyl Benzamide Inhibitor
分子名称: 2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C, Sturgis, H.L, Wu, W.-I.
登録日2011-09-19
公開日2011-10-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors.
ACS Med Chem Lett, 2, 2011

 

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