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5DKB
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BU of 5dkb by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 3-methylphenylamino-substituted ethyl triaryl-ethylene derivative 4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol
分子名称: 4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-03
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DMC
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BU of 5dmc by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a nitrile-substituted triaryl-ethylene derivative 3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile
分子名称: 3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-08
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
6C42
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BU of 6c42 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1156
分子名称: (2R,3S,4R)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-7-ol, Estrogen receptor
著者Fanning, S.W, Hodges-Gallager, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J.
登録日2018-01-11
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
6XZ3
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BU of 6xz3 by Molmil
Crystal structure of TLNRD1 4-helix bundle
分子名称: 1,2-ETHANEDIOL, Talin rod domain-containing protein 1
著者Cowell, A, Singh, A.K, Brown, D.G, Goult, B.T.
登録日2020-02-01
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Talin rod domain-containing protein 1 (TLNRD1) is a novel actin-bundling protein which promotes filopodia formation.
J.Cell Biol., 220, 2021
6Q43
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BU of 6q43 by Molmil
Atomic resolution crystal structure of an ABA collagen heterotrimer
分子名称: GLYCEROL, Leading Chain of the ABA collagen heterotrimer, Middle Chain of the ABA collagen heterotrimer, ...
著者Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W.
登録日2018-12-05
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Atomic resolution crystal structure of an AAB collagen heterotrimer
Nat.Chem.Biol., 2019
1VWA
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BU of 1vwa by Molmil
STREPTAVIDIN-FSHPQNT
分子名称: PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
著者Katz, B.A, Cass, R.T.
登録日1997-03-03
公開日1998-03-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
7BZZ
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BU of 7bzz by Molmil
Crystal structure of the SRCR domain of mouse SCARA5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Scavenger receptor class A member 5
著者Yu, B, He, Y.
登録日2020-04-29
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Interactions of ferritin with scavenger receptor class A members.
J.Biol.Chem., 295, 2020
7KEW
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BU of 7kew by Molmil
Bundibugyo virus GP (mucin deleted) bound to antibody Fab BDBV-43
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, BDBV-43 Fab heavy chain, ...
著者Murin, C.D, Ward, A.B.
登録日2020-10-13
公開日2021-04-28
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献Convergence of a common solution for broad ebolavirus neutralization by glycan cap-directed human antibodies.
Cell Rep, 35, 2021
7KFB
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BU of 7kfb by Molmil
Ebola virus GP (mucin deleted, Makona strain) bound to antibody Fab EBOV-442
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, Antibody Fab EBOV-442 heavy chain, ...
著者Murin, C.D, Ward, A.B.
登録日2020-10-13
公開日2021-04-28
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Convergence of a common solution for broad ebolavirus neutralization by glycan cap-directed human antibodies.
Cell Rep, 35, 2021
1BAV
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BU of 1bav by Molmil
CARBOXYPEPTIDASE A COMPLEXED WITH 2-BENZYL-3-IODO-PROPANOIC ACID (BIP)
分子名称: 2-BENZYL-3-IODOPROPANOIC ACID, CARBOXYPEPTIDASE A, ZINC ION
著者Martin, P, Edwards, B.
登録日1996-11-14
公開日1997-04-01
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystallographic and computational insight on the mechanism of zinc-ion-dependent inactivation of carboxypeptidase a by 2-benzyl-3-iodopropanoate.
J.Am.Chem.Soc., 118, 1996
7KFE
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BU of 7kfe by Molmil
Bundibugyo virus GP (mucin deleted) bound to antibody Fab BDBV-329
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, Antibody BDBV-329 heavy chain, ...
著者Murin, C.D, Ward, A.B.
登録日2020-10-13
公開日2021-04-28
実験手法ELECTRON MICROSCOPY (6.6 Å)
主引用文献Convergence of a common solution for broad ebolavirus neutralization by glycan cap-directed human antibodies.
Cell Rep, 35, 2021
7KFH
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BU of 7kfh by Molmil
Ebola virus GP (mucin deleted, Makona strain) bound to antibody Fab EBOV-437
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, Antibody Fab EBOV-437 heavy chain, ...
著者Murin, C.D, Ward, A.B.
登録日2020-10-13
公開日2021-04-28
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Convergence of a common solution for broad ebolavirus neutralization by glycan cap-directed human antibodies.
Cell Rep, 35, 2021
6T8E
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BU of 6t8e by Molmil
Crystal structure of native xylose isomerase from Piromyces E2 grown in yeast, in complex with xylose
分子名称: CALCIUM ION, D-xylose, SULFATE ION, ...
著者Rozeboom, H.J, Janssen, D.B.
登録日2019-10-24
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure-based directed evolution improves S. cerevisiae growth on xylose by influencing in vivo enzyme performance.
Biotechnol Biofuels, 13, 2020
7KEX
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BU of 7kex by Molmil
Ebola virus GP (mucin deleted, Makona strain) bound to antibody Fab EBOV-293
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab EBOV-293 heavy chain, Antibody Fab EBOV-293 light chain, ...
著者Murin, C.D, Ward, A.B.
登録日2020-10-13
公開日2021-04-28
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献Convergence of a common solution for broad ebolavirus neutralization by glycan cap-directed human antibodies.
Cell Rep, 35, 2021
5DXQ
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BU of 5dxq by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol
分子名称: 4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-23
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
7KF9
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BU of 7kf9 by Molmil
Ebola virus GP (mucin deleted, Makona strain) bound to antibody Fab EBOV-296 and EBOV-515
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab EBOV-296 heavy chain, Antibody Fab EBOV-296 light chain, ...
著者Murin, C.D, Ward, A.B.
登録日2020-10-13
公開日2021-04-28
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Convergence of a common solution for broad ebolavirus neutralization by glycan cap-directed human antibodies.
Cell Rep, 35, 2021
6PS9
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BU of 6ps9 by Molmil
Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 17 (5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one)
分子名称: 5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one, Bromodomain-containing protein 4
著者Ilyichova, O.V, Scanlon, M.J.
登録日2019-07-12
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition.
Bioorg.Med.Chem., 27, 2019
8T7Y
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BU of 8t7y by Molmil
Structure of SARS CoV-2 main protease in complex with Chymostatin.
分子名称: 3C-like proteinase nsp5, Chymostatin A (bound form)
著者Terzyan, S, Yarla, N, Rao, C.V, Mooers, B.
登録日2023-06-21
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure of SARS CoV-2 main protease in complex with Chymostatin.
to be published
8DTL
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BU of 8dtl by Molmil
Cryo-EM structure of insulin receptor (IR) bound with S597 peptide
分子名称: Insulin mimetic peptide S597, Insulin receptor
著者Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E.
登録日2022-07-25
公開日2022-09-07
最終更新日2022-10-12
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Activation of the insulin receptor by an insulin mimetic peptide.
Nat Commun, 13, 2022
5UF1
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BU of 5uf1 by Molmil
Crystal Structure of Variable Lymphocyte Receptor (VLR) O13 in complex with H-trisaccharide
分子名称: CHLORIDE ION, O13, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Gunn, R.J, Collins, B.C, McKitrick, T.R, Cummings, R.D, Cooper, M.D, Herrin, B.R, Wilson, I.A.
登録日2017-01-03
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates.
Structure, 25, 2017
8DTM
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BU of 8dtm by Molmil
Cryo-EM structure of insulin receptor (IR) bound with S597 component 2
分子名称: Insulin mimetic peptide S597 component 2, Insulin receptor
著者Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E.
登録日2022-07-26
公開日2022-09-07
最終更新日2022-10-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Activation of the insulin receptor by an insulin mimetic peptide.
Nat Commun, 13, 2022
6TBO
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BU of 6tbo by Molmil
3C-like protease from Southampton virus complexed with FMOPL000363a.
分子名称: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ...
著者Guo, J, Cooper, J.B.
登録日2019-11-02
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
7OSU
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BU of 7osu by Molmil
sTIM11noCys-SB, a de novo designed TIM barrel with a salt-bridge cluster (crystal form 1)
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Romero-Romero, S, Kordes, S, Hocker, B.
登録日2021-06-09
公開日2021-12-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献A newly introduced salt bridge cluster improves structural and biophysical properties of de novo TIM barrels.
Protein Sci., 31, 2022
7OSV
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BU of 7osv by Molmil
DeNovoTIM6-SB, a de novo designed TIM barrel with a salt-bridge cluster (crystal form 1)
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, DeNovoTIM6-SB, ...
著者Kordes, S, Romero-Romero, S, Hocker, B.
登録日2021-06-09
公開日2021-12-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献A newly introduced salt bridge cluster improves structural and biophysical properties of de novo TIM barrels.
Protein Sci., 31, 2022
7P12
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BU of 7p12 by Molmil
DeNovoTIM13-SB, a de novo designed TIM barrel with a salt-bridge cluster
分子名称: CHLORIDE ION, DeNovoTIM13-SB, PHOSPHATE ION
著者Kordes, S, Romero-Romero, S, Hocker, B.
登録日2021-07-01
公開日2021-12-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A newly introduced salt bridge cluster improves structural and biophysical properties of de novo TIM barrels.
Protein Sci., 31, 2022

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