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4FE1
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BU of 4fe1 by Molmil
Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Fromme, R, Adams, P.D, Fromme, P, Levitt, M, Schroeder, G.F, Brunger, A.T.
登録日2012-05-29
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.9228 Å)
主引用文献Improving the accuracy of macromolecular structure refinement at 7 A resolution.
Structure, 20, 2012
8B7W
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BU of 8b7w by Molmil
Complex IL-17A/anti-IL-17A-76
分子名称: CHLORIDE ION, GLYCEROL, Interleukin-17A, ...
著者Kostareva, O.S, Svoeglazova, A, Kolyadenko, I.A, Dzhus, U.F, Tishchenko, S.V, Gabdulkhakov, A.G.
登録日2022-10-03
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Two Epitope Regions Revealed in the Complex of IL-17A and Anti-IL-17A V H H Domain.
Int J Mol Sci, 23, 2022
8G1Z
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BU of 8g1z by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz317
分子名称: 1,2-ETHANEDIOL, 4-(acetamidomethyl)-N-hydroxybenzamide, Hdac6 protein, ...
著者Tararina, M.A, Christianson, D.W.
登録日2023-02-03
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
8G20
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BU of 8g20 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz327
分子名称: 1,2-ETHANEDIOL, 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide, ETHANOL, ...
著者Tararina, M.A, Christianson, D.W.
登録日2023-02-03
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.766 Å)
主引用文献Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
5JZC
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helical filament
分子名称: DNA repair protein RAD51 homolog 1
著者Short, J, Liu, Y.
登録日2016-05-16
公開日2016-09-21
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献High-resolution structure of the presynaptic RAD51 filament on single-stranded DNA by electron cryo-microscopy.
Nucleic Acids Res., 44, 2016
9EOG
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BU of 9eog by Molmil
PHF type tau filament from R406W mutant
分子名称: Microtubule-associated protein tau
著者Qi, C, Scheres, S.H.W, Michel, G.
登録日2024-03-14
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Tau filaments with the Alzheimer fold in cases with MAPT mutations V337M and R406W.
Biorxiv, 2024
7LHB
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BU of 7lhb by Molmil
Crystal structure of Bcl-2 in complex with prodrug ABBV-167
分子名称: Apoptosis regulator Bcl-2, Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester
著者Judge, R.A, Salem, A.H.
登録日2021-01-21
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.068 Å)
主引用文献Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers.
Mol.Cancer Ther., 20, 2021
9EO9
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SF type tau filament from V337M mutant
分子名称: Isoform Tau-F of Microtubule-associated protein tau
著者Qi, C, Scheres, S.H.W, Michel, G.
登録日2024-03-14
公開日2024-07-10
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Tau filaments with the Alzheimer fold in cases with MAPT mutations V337M and R406W.
Biorxiv, 2024
9EO7
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PHF type tau filament from V337M mutant
分子名称: Isoform Tau-F of Microtubule-associated protein tau
著者Qi, C, Scheres, S.H.W, Michel, G.
登録日2024-03-14
公開日2024-07-10
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Tau filaments with the Alzheimer fold in cases with MAPT mutations V337M and R406W.
Biorxiv, 2024
9EOE
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BU of 9eoe by Molmil
TF type tau filament from V337M mutant
分子名称: Isoform Tau-F of Microtubule-associated protein tau
著者Qi, C, Scheres, S.H.W, Michel, G.
登録日2024-03-14
公開日2024-07-10
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Tau filaments with the Alzheimer fold in cases with MAPT mutations V337M and R406W.
Biorxiv, 2024
5JZN
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BU of 5jzn by Molmil
Crystal structure of DCLK1-KD in complex with NVP-TAE684
分子名称: 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, SULFATE ION, Serine/threonine-protein kinase DCLK1
著者Patel, O, Lucet, I.
登録日2016-05-17
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Biochemical and Structural Insights into Doublecortin-like Kinase Domain 1.
Structure, 24, 2016
7WKX
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BU of 7wkx by Molmil
IL-17A in complex with the humanized antibody HB0017
分子名称: ACETIC ACID, Heavy chain of HB0017 Fab, Interleukin-17A, ...
著者Xu, J, Zhu, X, He, Y.
登録日2022-01-12
公開日2022-03-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural and functional insights into a novel pre-clinical-stage antibody targeting IL-17A for treatment of autoimmune diseases.
Int.J.Biol.Macromol., 202, 2022
8T9B
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BU of 8t9b by Molmil
Structure of the CK variant of Fab F1 (FabC-F1) in complex with the C-terminal FN3 domain of EphA2
分子名称: CK variant of Fab F1 heavy chain, CK variant of Fab F1 light chain, Ephrin type-A receptor 2
著者Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
登録日2023-06-23
公開日2024-05-01
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Engineered Antigen-binding Fragments for Enhanced Crystallization of Antibody:Antigen Complexes
To be Published
5NB7
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BU of 5nb7 by Molmil
Complement factor D
分子名称: 1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide, Complement factor D, DIMETHYL SULFOXIDE
著者Mac Sweeney, A, Ostermann, N.
登録日2017-03-01
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
6GJ5
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BU of 6gj5 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15
分子名称: (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
7X6L
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BU of 7x6l by Molmil
Cryo-EM structure of H3 hemagglutinin from A/HongKong/01/1968 in complex with a neutralizing antibody 28-12
分子名称: Heavy chain of antibody 12 fab, Hemagglutinin, The light chain of the antibody 12 fab
著者Cong, Y, Liu, C.X.
登録日2022-03-07
公開日2022-03-23
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Unique binding pattern for a lineage of human antibodies with broad reactivity against influenza A virus.
Nat Commun, 13, 2022
7X6O
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BU of 7x6o by Molmil
Cryo-EM structure of H1 hemagglutinin from A/Washington/05/2011 in complex with a neutralizing antibody 28-12
分子名称: Heavy chain of antibody 12 fab, Hemagglutinin, The light chain of antibody 12 fab
著者Cong, Y, Liu, C.X.
登録日2022-03-07
公開日2022-03-23
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Unique binding pattern for a lineage of human antibodies with broad reactivity against influenza A virus.
Nat Commun, 13, 2022
5MAH
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BU of 5mah by Molmil
Crystal structure of MELK in complex with an inhibitor
分子名称: CHLORIDE ION, GLYCEROL, Maternal embryonic leucine zipper kinase, ...
著者Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5MAF
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Crystal structure of MELK in complex with an inhibitor
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase, ...
著者Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
7XK8
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Cryo-EM structure of the Neuromedin U receptor 2 (NMUR2) in complex with G Protein and its endogeneous Peptide-Agonist NMU25
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Zhao, W, Wenru, Z, Mu, W, Minmin, L, Shutian, C, Tingting, T, Gisela, S, Holger, W, Albert, B, Cuiying, Y, Xiaojing, C, Han, S, Wu, B, Zhao, Q.
登録日2022-04-19
公開日2023-02-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Ligand recognition and activation of neuromedin U receptor 2.
Nat Commun, 13, 2022
6GJ7
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CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 22
分子名称: (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
5LBW
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Structure of the human quinone reductase 2 (NQO2) in complex with volitinib
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, ...
著者Schneider, S, Medard, G, Kuester, B.
登録日2016-06-17
公開日2017-11-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5LBZ
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Structure of the human quinone reductase 2 (NQO2) in complex with pacritinib
分子名称: 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Schneider, S, Medard, G, Kuster, B.
登録日2016-06-17
公開日2017-11-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
6GJ6
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CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18
分子名称: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A, Phan, J.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
6GJ8
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CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852
分子名称: (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019

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