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5OVQ
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BU of 5ovq by Molmil
Crystal Structure of the peroxiredoxin (AhpC2) from the Hyperthermophilic bacteria Aquifex aeolicus VF
分子名称: Peroxiredoxin, UNKNOWN LIGAND
著者Warkentin, E, Peng, G.
登録日2017-08-29
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural properties of the peroxiredoxin AhpC2 from the hyperthermophilic eubacterium Aquifex aeolicus.
Biochim Biophys Acta Gen Subj, 1862, 2018
3BE2
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BU of 3be2 by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a benzamide inhibitor
分子名称: N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Kim, J.L, Long, A.M, Gu, Y, Rose, P, Zhao, H.
登録日2007-11-16
公開日2008-04-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Naphthamides as novel and potent vascular endothelial growth factor receptor tyrosine kinase inhibitors: design, synthesis, and evaluation.
J.Med.Chem., 51, 2008
3KME
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BU of 3kme by Molmil
Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor
分子名称: (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Orth, P.
登録日2009-11-10
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
1H1P
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BU of 1h1p by Molmil
Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU2058
分子名称: 6-O-CYCLOHEXYLMETHYL GUANINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
著者Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N.
登録日2002-07-21
公開日2002-09-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor
Nat.Struct.Biol., 9, 2002
7M3I
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BU of 7m3i by Molmil
Structure of SARS-CoV-2 spike protein receptor binding domain in complex with a neutralizing antibody, CV2-75 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV2-75 Fab Heavy chain, CV2-75 Fab Light chain, ...
著者Hurlburt, N.K, Pancera, M.
登録日2021-03-18
公開日2021-05-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Isolation and characterization of cross-neutralizing coronavirus antibodies from COVID-19+ subjects.
Cell Rep, 36, 2021
6E6J
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BU of 6e6j by Molmil
BRD2_Bromodomain2 complex with inhibitor 744
分子名称: Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
著者Longenecker, K.L, Park, C.H, Bigelow, L.
登録日2018-07-25
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
6E9Z
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BU of 6e9z by Molmil
DHF119 filament
分子名称: DHF119 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
6E9V
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BU of 6e9v by Molmil
DHF79 filament
分子名称: DHF79 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
6E9T
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BU of 6e9t by Molmil
DHF58 filament
分子名称: DHF58 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
6E9Y
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BU of 6e9y by Molmil
DHF38 filament
分子名称: DHF38 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
6E9X
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BU of 6e9x by Molmil
DHF91 filament
分子名称: DHF91 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
3KIJ
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BU of 3kij by Molmil
Crystal structure of the human PDI-peroxidase
分子名称: Probable glutathione peroxidase 8, SULFATE ION
著者Nguyen, D.V, Ruddock, L.W.
登録日2009-11-02
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Two Endoplasmic Reticulum PDI Peroxidases Increase the Efficiency of the Use of Peroxide during Disulfide Bond Formation.
J.Mol.Biol., 406, 2011
3C7N
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BU of 3c7n by Molmil
Structure of the Hsp110:Hsc70 Nucleotide Exchange Complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, ...
著者Schuermann, J.P, Jiang, J, Hart, P.J, Sousa, R.
登録日2008-02-07
公開日2008-05-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.115 Å)
主引用文献Structure of the Hsp110:Hsc70 nucleotide exchange machine
Mol.Cell, 31, 2008
7R6Z
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BU of 7r6z by Molmil
OXA-48 bound by Compound 3.3
分子名称: 1,2-ETHANEDIOL, 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid, Beta-lactamase, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.
登録日2021-06-24
公開日2021-12-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
6LB9
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BU of 6lb9 by Molmil
Magnesium ion-bound SspB crystal structure
分子名称: DUF4007 domain-containing protein, MAGNESIUM ION
著者Liqiong, L, Yubing, Z.
登録日2019-11-13
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.227 Å)
主引用文献SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
7M4R
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BU of 7m4r by Molmil
Structural basis for SARS-CoV-2 envelope protein in recognition of human cell junction protein PALS1
分子名称: Envelope small membrane protein, MAGUK p55 subfamily member 5
著者Liu, Q, Chai, J.
登録日2021-03-22
公開日2021-03-31
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Structural basis for SARS-CoV-2 envelope protein recognition of human cell junction protein PALS1.
Nat Commun, 12, 2021
8DTX
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BU of 8dtx by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22
分子名称: COV89-22 heavy chain, COV89-22 light chain, Spike protein S2' stem helix peptide
著者Lin, T.H, Lee, C.C.D, Wilson, I.A.
登録日2022-07-26
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTR
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BU of 8dtr by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV30-14
分子名称: COV30-14 heavy chain, COV30-14 light chain, Spike protein S2' stem helix peptide
著者Lee, C.C.D, Lin, T.H, Wilson, I.A.
登録日2022-07-26
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTT
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BU of 8dtt by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03
分子名称: COV93-03 heavy chain, COV93-03 light chain, Spike protein S2' stem helix peptide
著者Lee, C.C.D, Lin, T.H, Wilson, I.A.
登録日2022-07-26
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
4WD5
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BU of 4wd5 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide
著者Yun, C.H, Eck, M.J.
登録日2014-09-07
公開日2016-05-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
To Be Published
8JZN
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BU of 8jzn by Molmil
Structure of a fungal 1,3-beta-glucan synthase
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, C, You, Z, Chen, D, Hang, J, Wang, Z, Meng, J, Wang, L, Zhao, P, Qiao, J, Yun, C, Bai, L.
登録日2023-07-05
公開日2023-10-04
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.47 Å)
主引用文献Structure of a fungal 1,3-beta-glucan synthase.
Sci Adv, 9, 2023
5W9O
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BU of 5w9o by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
分子名称: G4 VH, G4 VL, Spike glycoprotein
著者Pallesen, J, Ward, A.B.
登録日2017-06-23
公開日2017-08-16
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9I
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BU of 5w9i by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
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, G4 VH, ...
著者Pallesen, J, Ward, A.B.
登録日2017-06-23
公開日2017-08-16
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9H
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BU of 5w9h by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
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, G4 VH, ...
著者Pallesen, J, Ward, A.B.
登録日2017-06-23
公開日2017-08-16
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9L
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BU of 5w9l by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
分子名称: G4 VH, G4 VL, Spike glycoprotein
著者Pallesen, J, Ward, A.B.
登録日2017-06-23
公開日2017-08-16
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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