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5GGS
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BU of 5ggs by Molmil
PD-1 in complex with pembrolizumab Fab
分子名称: Programmed cell death protein 1, heavy chain, light chain
著者Heo, Y.S.
登録日2016-06-16
公開日2016-11-09
最終更新日2016-11-16
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy
Nat Commun, 7, 2016
6XK9
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BU of 6xk9 by Molmil
Cereblon in complex with DDB1, CC-90009, and GSPT1
分子名称: 2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ...
著者Clayton, T.L, Tran, E.T, Zhu, J, Pagarigan, B.E, Matyskiela, M.E, Chamberlain, P.P.
登録日2020-06-25
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.64 Å)
主引用文献CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells.
Blood, 137, 2021
7PD6
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BU of 7pd6 by Molmil
Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Sulfoxaflor
分子名称: Acetylcholine-binding protein, Sulfoxaflor
著者Montgomery, M.G.
登録日2021-08-04
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators.
J.Med.Chem., 65, 2022
7PDB
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BU of 7pdb by Molmil
Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyradifurone
分子名称: Acetylcholine-binding protein, Flupyradifurone
著者Montgomery, M.G.
登録日2021-08-05
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators.
J.Med.Chem., 65, 2022
7PE5
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BU of 7pe5 by Molmil
Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Triflumezopyrim
分子名称: 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate, Acetylcholine-binding protein
著者Montgomery, M.G.
登録日2021-08-09
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators.
J.Med.Chem., 65, 2022
7PDR
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BU of 7pdr by Molmil
Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Dichloromezotiaz
分子名称: 3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione, Acetylcholine-binding protein
著者Montgomery, M.G.
登録日2021-08-06
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators.
J.Med.Chem., 65, 2022
7PE6
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BU of 7pe6 by Molmil
Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyrimin
分子名称: (~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide, Acetylcholine-binding protein
著者Montgomery, M.G.
登録日2021-08-09
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators.
J.Med.Chem., 65, 2022
7B4V
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BU of 7b4v by Molmil
Broadly neutralizing DARPin bnD.2 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505)
分子名称: Broadly neutralizing DARPin bnD.2, CHLORIDE ION, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505), ...
著者Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A.
登録日2020-12-02
公開日2021-11-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
7B4W
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Broadly neutralizing DARPin bnD.3 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Broadly neutralizing DARPin bnD.3, ...
著者Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A.
登録日2020-12-02
公開日2021-11-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
7Z7E
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BU of 7z7e by Molmil
Crystal structure of p63 DNA binding domain in complex with inhibitory DARPin G4
分子名称: DARPIN, Isoform 4 of Tumor protein 63, ZINC ION
著者Strubel, A, Gebel, J, Chaikuad, A, Muenick, P, Doetsch, V.
登録日2022-03-15
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Designed Ankyrin Repeat Proteins as a tool box for analyzing p63.
Cell Death Differ., 29, 2022
7Z71
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BU of 7z71 by Molmil
Crystal structure of p63 DBD in complex with darpin C14
分子名称: Darpin C14, Isoform 4 of Tumor protein 63, ZINC ION
著者Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-03-14
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Designed Ankyrin Repeat Proteins as a tool box for analyzing p63.
Cell Death Differ., 29, 2022
7Z73
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BU of 7z73 by Molmil
Crystal structure of p63 tetramerization domain in complex with darpin 8F1
分子名称: Darpin 8F1, Isoform 2 of Tumor protein 63
著者Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-03-14
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Designed Ankyrin Repeat Proteins as a tool box for analyzing p63.
Cell Death Differ., 29, 2022
7Z72
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BU of 7z72 by Molmil
Crystal structure of p63 SAM in complex with darpin A5
分子名称: DI(HYDROXYETHYL)ETHER, Darpin A5, Isoform 9 of Tumor protein 63
著者Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-03-14
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Designed Ankyrin Repeat Proteins as a tool box for analyzing p63.
Cell Death Differ., 29, 2022
5HXB
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BU of 5hxb by Molmil
Cereblon in complex with DDB1, CC-885, and GSPT1
分子名称: 1-(3-chloro-4-methylphenyl)-3-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)urea, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ...
著者Chamberlain, P.P, Matyskiela, M, Pagarigan, B.
登録日2016-01-30
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献A novel cereblon modulator recruits GSPT1 to the CRL4(CRBN) ubiquitin ligase.
Nature, 535, 2016
5V3O
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Cereblon in complex with DDB1 and CC-220
分子名称: (3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DNA damage-binding protein 1, Protein cereblon, ...
著者Matyskiela, M, Pagarigan, B, Chamberlain, P.
登録日2017-03-07
公開日2017-05-03
最終更新日2018-02-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A Cereblon Modulator (CC-220) with Improved Degradation of Ikaros and Aiolos.
J. Med. Chem., 61, 2018
7B4T
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BU of 7b4t by Molmil
Broadly neutralizing DARPin bnD.1 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505)
分子名称: Broadly neutralizing DARPin bnD.1, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505), SULFATE ION
著者Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A.
登録日2020-12-02
公開日2021-11-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
7B4U
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Broadly neutralizing DARPin bnD.2 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505)
分子名称: Broadly neutralizing DARPin bnD.2, CALCIUM ION, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505)
著者Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A.
登録日2020-12-02
公開日2021-11-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
4AUJ
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BU of 4auj by Molmil
FimH lectin domain co-crystal with a alpha-D-mannoside O-linked to para hydroxypropargyl phenyl
分子名称: 4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannopyranoside, FIMH
著者Bouckaert, J, Touaibia, M, Roos, G, Shiao, T.C, Wang, Q, Papadopoulos, A, Roy, R.
登録日2012-05-17
公開日2013-05-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.527 Å)
主引用文献Validation of Reactivity Descriptors to Assess the Aromatic Stacking within the Tyrosine Gate of Fimh.
Acs Med.Chem.Lett., 4, 2013
4ATT
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FimH lectin domain co-crystal with a alpha-D-mannoside O-linked to a propynyl para methoxy phenyl
分子名称: 3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannopyranoside, FIMH
著者Bouckaert, J, Touaibia, M, Roos, G, Shiao, T.C, Wang, Q, Papadopoulos, A, Roy, R.
登録日2012-05-09
公開日2013-05-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.251 Å)
主引用文献Validation of Reactivity Descriptors to Assess the Aromatic Stacking within the Tyrosine Gate of Fimh.
Acs Med.Chem.Lett., 4, 2013
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