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4R95
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BU of 4r95 by Molmil
BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium
分子名称: (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Strickland, C, Caldwell, J.P.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4R92
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BU of 4r92 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide
著者Orth, P, Strickland, C, Caldwell, J.P.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
6VU5
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BU of 6vu5 by Molmil
Structure of G-alpha-q bound to its chaperone Ric-8A
分子名称: Guanine nucleotide-binding protein G(q) subunit alpha, Resistance to inhibitors of cholinesterase-8A (Ric-8A)
著者Seven, A.B, Hilger, D.
登録日2020-02-14
公開日2020-03-18
最終更新日2020-03-25
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of G alpha Proteins in Complex with Their Chaperone Reveal Quality Control Mechanisms.
Cell Rep, 30, 2020
4R93
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BU of 4r93 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2-iminium
分子名称: 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Strickland, C, Caldwell, J.P.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
6VU8
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BU of 6vu8 by Molmil
Structure of G-alpha-i bound to its chaperone Ric-8A
分子名称: Guanine nucleotide-binding protein G(i) subunit alpha-1, Resistance to inhibitors of cholinesterase 8 homolog A (C. elegans)
著者Seven, A.B, Hilger, D.
登録日2020-02-14
公開日2020-03-18
最終更新日2020-03-25
実験手法ELECTRON MICROSCOPY (4.14 Å)
主引用文献Structures of G alpha Proteins in Complex with Their Chaperone Reveal Quality Control Mechanisms.
Cell Rep, 30, 2020
6UMI
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BU of 6umi by Molmil
Crystal structure of erenumab Fab-b
分子名称: erenumab Fab heavy chain, IgG1, erenumab Fab light chain
著者Mohr, C.
登録日2019-10-09
公開日2020-02-12
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
6UMH
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BU of 6umh by Molmil
Crystal structure of erenumab Fab-a
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-PROPANDIOL, PHOSPHATE ION, ...
著者Mohr, C.
登録日2019-10-09
公開日2020-02-12
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
5JYK
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BU of 5jyk by Molmil
Deg9 crystal under 289K
分子名称: GLYCEROL, Protease Do-like 9
著者Ouyang, M, Zhang, L.X.
登録日2016-05-14
公開日2017-05-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
6TCL
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BU of 6tcl by Molmil
Photosystem I tetramer
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Chen, M, Perez-Boerema, A, Li, S, Amunts, A.
登録日2019-11-06
公開日2020-02-19
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Distinct structural modulation of photosystem I and lipid environment stabilizes its tetrameric assembly.
Nat.Plants, 6, 2020
8K4Q
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BU of 8k4q by Molmil
Crystal structure of nanobody HuNb103 bound to human interleukin-4 receptor subunit alpha
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, IL-4R nanobody HuNb103, ...
著者Ding, Y, Zhong, P.Y.
登録日2023-07-20
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献A Novel Inhalable Nanobody Targeting IL-4R alpha for the Treatment of Asthma.
J.Allergy Clin.Immunol., 2024
8IN8
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BU of 8in8 by Molmil
Cryo-EM structure of the target ssDNA-bound SIR2-APAZ/Ago-gRNA quaternary complex
分子名称: DNA (5'-D(P*AP*AP*CP*GP*AP*CP*GP*TP*CP*TP*AP*AP*GP*AP*AP*AP*CP*CP*AP*TP*TP*AP*A)-3'), MAGNESIUM ION, Piwi domain protein, ...
著者Zhang, H, Li, Z, Yu, G.M, Li, X.Z, Wang, X.S.
登録日2023-03-08
公開日2023-07-05
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
8I88
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BU of 8i88 by Molmil
Cryo-EM structure of TIR-APAZ/Ago-gRNA complex
分子名称: Piwi domain-containing protein, RNA (5'-R(P*GP*A)-3'), TIR domain-containing protein
著者Zhang, H, Li, Z, Yu, G.M, Li, X.Z, Wang, X.S.
登録日2023-02-03
公開日2023-07-05
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
8XLQ
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BU of 8xlq by Molmil
FGFR4 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8XLO
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BU of 8xlo by Molmil
FGFR1 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8BBH
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BU of 8bbh by Molmil
The crystal structure of a mouse Fab fragment TL1 in complex with a human Glucose-6-phosphate isomerase peptide 293-307
分子名称: Glucose-6-phosphate isomerase, Heavy Chain of TL1 Fab fragment, Light Chain of TL1 Fab fragment
著者Ge, C, Holmdahl, R, Li, T.
登録日2022-10-13
公開日2022-12-21
最終更新日2023-07-05
実験手法X-RAY DIFFRACTION (1.619 Å)
主引用文献Pathogenic antibody response to glucose-6-phosphate isomerase targets a modified epitope uniquely exposed on joint cartilage.
Ann Rheum Dis, 82, 2023
8I87
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BU of 8i87 by Molmil
Cryo-EM structure of TIR-APAZ/Ago-gRNA-DNA complex
分子名称: DNA (5'-D(P*TP*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*A)-3'), MAGNESIUM ION, Piwi domain-containing protein, ...
著者Zhang, H, Deng, Z.Q, Yu, G.M, Li, X.Z, Wang, X.S.
登録日2023-02-03
公開日2023-07-19
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
5FIV
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BU of 5fiv by Molmil
STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR
分子名称: RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
著者Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A.
登録日1998-12-02
公開日1998-12-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
4R8Y
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BU of 4r8y by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
分子名称: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Caldwell, J.P, Strickland, C.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4R91
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BU of 4r91 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
分子名称: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Caldwell, J.P, Strickland, C.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
2QN1
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BU of 2qn1 by Molmil
Glycogen Phosphorylase b in complex with asiatic acid
分子名称: Glycogen phosphorylase, muscle form, asiatic acid
著者Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G.
登録日2007-07-17
公開日2008-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
2QN2
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BU of 2qn2 by Molmil
Glycogen Phosphorylase b in complex with Maslinic Acid
分子名称: Glycogen phosphorylase, muscle form, maslinic acid
著者Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G.
登録日2007-07-17
公開日2008-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
2QMG
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BU of 2qmg by Molmil
Structure of BACE Bound to SCH745966
分子名称: Beta-secretase 1, D(-)-TARTARIC ACID, N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE
著者Strickland, C.O, Iserloh, U.
登録日2007-07-16
公開日2008-03-18
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
8HL3
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BU of 8hl3 by Molmil
Cryo-EM Structures and Translocation Mechanism of Crenarchaeota Ribosome
分子名称: 16s rRNA (1493-MER), 23s rRNA (3000-MER), 30S ribosomal protein S10, ...
著者Wang, Y.H, Zhou, J.
登録日2022-11-28
公開日2023-09-20
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Cryo-electron microscopy structure and translocation mechanism of the crenarchaeal ribosome.
Nucleic Acids Res., 51, 2023
8HL5
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BU of 8hl5 by Molmil
Cryo-EM Structures and Translocation Mechanism of Crenarchaeota Ribosome
分子名称: 16S rRNA (1493-MER), 23S rRNA (2991-MER), 30S ribosomal protein S10, ...
著者Wang, Y.H, Zhou, J.
登録日2022-11-28
公開日2023-10-04
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (5.72 Å)
主引用文献Cryo-electron microscopy structure and translocation mechanism of the crenarchaeal ribosome.
Nucleic Acids Res., 51, 2023
8HL4
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BU of 8hl4 by Molmil
Cryo-EM Structures and Translocation Mechanism of Crenarchaeota Ribosome
分子名称: 16s rRNA (1493-MER), 23s rRNA (3000-MER), 30S ribosomal protein S10, ...
著者Wang, Y.H, Zhou, J.
登録日2022-11-28
公開日2023-11-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.62 Å)
主引用文献Cryo-electron microscopy structure and translocation mechanism of the crenarchaeal ribosome.
Nucleic Acids Res., 51, 2023

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