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5VLJ
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BU of 5vlj by Molmil
Cryo-EM structure of yeast cytoplasmic dynein with Walker B mutation at AAA3 in presence of ATP-VO4
分子名称: Dynein heavy chain, cytoplasmic, Nuclear distribution protein PAC1
著者Cianfrocco, M.A, DeSantis, M.E, Htet, Z.M, Tran, P.T, Reck-Peterson, S.L, Leschziner, A.E.
登録日2017-04-25
公開日2017-09-06
最終更新日2020-01-01
実験手法ELECTRON MICROSCOPY (10.5 Å)
主引用文献Lis1 Has Two Opposing Modes of Regulating Cytoplasmic Dynein.
Cell, 170, 2017
5VQ5
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BU of 5vq5 by Molmil
Crystal Structure of the Lectin Domain From the F17-like Adhesin, UclD
分子名称: Adhesin, IODIDE ION
著者Klein, R.D, Spaulding, C.N, Dodson, K.W, Pinkner, J.S, Hultgren, S.J, Fremont, D.
登録日2017-05-08
公開日2017-05-24
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Selective depletion of uropathogenic E. coli from the gut by a FimH antagonist.
Nature, 546, 2017
5VKQ
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BU of 5vkq by Molmil
Structure of a mechanotransduction ion channel Drosophila NOMPC in nanodisc
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, No mechanoreceptor potential C isoform L
著者Jin, P, Bulkley, D, Guo, Y, Zhang, W, Guo, Z, Huynh, W, Wu, S, Meltzer, S, Chen, T, Jan, L.Y, Jan, Y.-N, Cheng, Y.
登録日2017-04-22
公開日2017-06-28
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Electron cryo-microscopy structure of the mechanotransduction channel NOMPC.
Nature, 547, 2017
5TB3
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BU of 5tb3 by Molmil
Structure of rabbit RyR1 (EGTA-only dataset, class 3)
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION
著者Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
登録日2016-09-11
公開日2016-10-12
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
5TDM
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BU of 5tdm by Molmil
TEV Cleaved Human ATP Citrate Lyase Bound to 4R-Hydroxycitrate and ADP
分子名称: 3-C-carboxy-2-deoxy-L-threo-pentaric acid, ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Hu, J, Fraser, M.E.
登録日2016-09-19
公開日2017-08-09
最終更新日2017-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Binding of hydroxycitrate to human ATP-citrate lyase.
Acta Crystallogr D Struct Biol, 73, 2017
5T9V
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BU of 5t9v by Molmil
Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 1)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
登録日2016-09-09
公開日2016-10-12
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
5TAX
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BU of 5tax by Molmil
Structure of rabbit RyR1 (ryanodine dataset, class 1)
分子名称: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
著者Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
登録日2016-09-10
公開日2016-10-12
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (6.6 Å)
主引用文献Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
5T15
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BU of 5t15 by Molmil
Structural basis for gating and activation of RyR1 (30 uM Ca2+ dataset, all particles)
分子名称: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1,Ryanodine receptor 1,Ryanodine receptor 1,Ryanodine receptor 1,Ryanodine receptor 1,Ryanodine receptor 1,Ryanodine receptor 1, ...
著者Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
登録日2016-08-17
公開日2016-10-12
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
5TAP
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BU of 5tap by Molmil
Structure of rabbit RyR1 (Caffeine/ATP/EGTA dataset, all particles)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
著者Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
登録日2016-09-10
公開日2016-10-12
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
5TB4
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BU of 5tb4 by Molmil
Structure of rabbit RyR1 (EGTA-only dataset, class 4)
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION
著者Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
登録日2016-09-11
公開日2016-10-12
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
5VO4
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BU of 5vo4 by Molmil
Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile
分子名称: 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile, Androgen receptor
著者Parris, K, Unwalla, R.
登録日2017-05-02
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based Approach To Identify 5-[4-Hydroxyphenyl]pyrrole-2-carbonitrile Derivatives as Potent and Tissue Selective Androgen Receptor Modulators.
J. Med. Chem., 60, 2017
7ACD
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BU of 7acd by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound T30 (UZH1a)
分子名称: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2020-09-10
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献METTL3 Inhibitors for Epitranscriptomic Modulation of Cellular Processes.
Chemmedchem, 16, 2021
7A8Z
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BU of 7a8z by Molmil
Cryo-EM structure of T275P KatG from M. tuberculosis
分子名称: Catalase-peroxidase
著者Blundell, T.L, Chaplin, A.K, Munir, A.
登録日2020-08-31
公開日2021-01-27
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Structure, 29, 2021
7AA3
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BU of 7aa3 by Molmil
T275P after heme uptake from M. tuberculosis
分子名称: Catalase-peroxidase
著者Blundell, T.L, Chaplin, A.K, Munir, A.
登録日2020-09-03
公開日2021-01-27
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Structure, 29, 2021
5SCK
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BU of 5sck by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 42
分子名称: 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.717 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCI
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BU of 5sci by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 105
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.155 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5X8M
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BU of 5x8m by Molmil
PD-L1 in complex with durvalumab
分子名称: Programmed cell death 1 ligand 1, durvalumab heavy chain, durvalumab light chain
著者Heo, Y.S, Lee, H.T.
登録日2017-03-03
公開日2017-08-16
実験手法X-RAY DIFFRACTION (2.661 Å)
主引用文献Molecular mechanism of PD-1/PD-L1 blockade via anti-PD-L1 antibodies atezolizumab and durvalumab
Sci Rep, 7, 2017
5SDT
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BU of 5sdt by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 15
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2022-01-20
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
5SCF
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BU of 5scf by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 99
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.185 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
7RZD
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BU of 7rzd by Molmil
CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE
分子名称: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
著者Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
登録日2021-08-27
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
5SCG
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BU of 5scg by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 101
分子名称: (3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.937 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
7S8A
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BU of 7s8a by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE, CUBIC CRYSTAL FORM
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, Beta-2-microglobulin, ...
著者Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
登録日2021-09-17
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
5SCJ
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BU of 5scj by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 106
分子名称: (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
7S7F
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BU of 7s7f by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PHOSPHOPEPTIDE
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
著者Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
登録日2021-09-15
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
5SCB
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BU of 5scb by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 28
分子名称: (3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022

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