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2MGP
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Structure of Plasmodium Yoelii Merozoite Surface Protein 1 - C-terminal Domain
分子名称: Merozoite surface protein 1
著者Curd, R.D, Birdsall, B, Kadekoppala, M, Ogun, S, Kelly, G, Holder, A.A.
登録日2013-11-03
公開日2014-02-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The structure of Plasmodium yoelii merozoite surface protein 119, antibody specificity and implications for malaria vaccine design
OPEN BIOLOGY, 4, 2014
2MGR
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BU of 2mgr by Molmil
Structure of Plasmodium Yoelii Merozoite Surface Protein 1 - C-terminal Domain, E28K mutant
分子名称: Merozoite surface protein 1
著者Curd, R.D, Birdsall, B, Kadekoppala, M, Ogun, S, Kelly, G, Holder, A.A.
登録日2013-11-04
公開日2014-02-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The structure of Plasmodium yoelii merozoite surface protein 119, antibody specificity and implications for malaria vaccine design
OPEN BIOLOGY, 4, 2014
2MYM
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BU of 2mym by Molmil
Cullin3 - BTB interface: a novel target for stapled peptides
分子名称: Cullin-3
著者Russo, L, Palmieri, M, Malgieri, G.
登録日2015-01-27
公開日2015-04-22
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Cullin3 - BTB Interface: A Novel Target for Stapled Peptides.
Plos One, 10, 2015
5FN7
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BU of 5fn7 by Molmil
Crystal structure of human CD45 extracellular region, domains d1-d2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MERCURY (II) ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C
著者Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J.
登録日2015-11-10
公開日2016-03-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
5FMV
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BU of 5fmv by Molmil
Crystal structure of human CD45 extracellular region, domains d1-d4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C, SULFATE ION
著者Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J.
登録日2015-11-09
公開日2016-03-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
5FN6
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BU of 5fn6 by Molmil
Crystal structure of human CD45 extracellular region, domains d1-d3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C
著者Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J.
登録日2015-11-10
公開日2016-03-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
5FN8
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BU of 5fn8 by Molmil
Crystal structure of rat CD45 extracellular region, domains d3-d4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C
著者Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J.
登録日2015-11-11
公開日2016-03-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
4CSE
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BU of 4cse by Molmil
PIH N-terminal domain
分子名称: PIH1 DOMAIN-CONTAINING PROTEIN 1, TELOMERE LENGTH REGULATION PROTEIN TEL2 HOMOLOG
著者Morgan, R.M, Roe, S.M.
登録日2014-03-07
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural Basis for Phosphorylation-Dependent Recruitment of Tel2 to Hsp90 by Pih1.
Structure, 22, 2014
4CKT
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BU of 4ckt by Molmil
PIH1 N-terminal domain
分子名称: PIH1 DOMAIN-CONTAINING PROTEIN 1, TELOMERE LENGTH REGULATION PROTEIN TEL2 HOMOLOG
著者Morgan, R.M, Roe, S.M.
登録日2014-01-08
公開日2014-05-14
最終更新日2014-06-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis for Phosphorylation-Dependent Recruitment of Tel2 to Hsp90 by Pih1.
Structure, 22, 2014
4CV4
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BU of 4cv4 by Molmil
PIH N-terminal domain
分子名称: COBALT (II) ION, PIH1 DOMAIN-CONTAINING PROTEIN 1, SULFATE ION
著者Morgan, R.M, Roe, S.M.
登録日2014-03-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Structural Basis for Phosphorylation-Dependent Recruitment of Tel2 to Hsp90 by Pih1.
Structure, 22, 2014
8C0H
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BU of 8c0h by Molmil
Crystal structure of guanidinase from Nitrospira inopinata
分子名称: NICKEL (II) ION, Putative agmatinase 2, SULFATE ION
著者Puehringer, D.
登録日2022-12-16
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Growth of complete ammonia oxidizers on guanidine
To Be Published
5JI0
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BU of 5ji0 by Molmil
PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid
分子名称: (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ...
著者Bloudoff, K, Larsen, N.A.
登録日2016-04-21
公開日2017-04-26
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid
To Be Published
6FO1
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BU of 6fo1 by Molmil
Human R2TP subcomplex containing 1 RUVBL1-RUVBL2 hexamer bound to 1 RBD domain from RPAP3.
分子名称: ADENOSINE-5'-DIPHOSPHATE, RNA polymerase II-associated protein 3, RuvB-like 1, ...
著者Martino, F, Munoz-Hernandez, H, Rodriguez, C.F, Pearl, L.H, Llorca, O.
登録日2018-02-05
公開日2018-04-04
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.57 Å)
主引用文献RPAP3 provides a flexible scaffold for coupling HSP90 to the human R2TP co-chaperone complex.
Nat Commun, 9, 2018
5MGX
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BU of 5mgx by Molmil
The structure of FKBP38 in complex with the MEEVD tetratricopeptide binding-motif of Hsp90
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP8, yeast HSP90 C-terminus
著者Roe, S.M, Blundell, K.L, Prodromou, C.
登録日2016-11-22
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献The structure of FKBP38 in complex with the MEEVD tetratricopeptide binding-motif of Hsp90.
PLoS ONE, 12, 2017
6U63
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BU of 6u63 by Molmil
Mcl-1 bound to compound 17
分子名称: 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Stuckey, J.A.
登録日2019-08-29
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U6F
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BU of 6u6f by Molmil
The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21
分子名称: 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z.
登録日2019-08-29
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U65
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BU of 6u65 by Molmil
Mcl-1 bound to compound 19
分子名称: 1,2-ETHANEDIOL, 2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, ACETATE ION, ...
著者Stuckey, J.A.
登録日2019-08-29
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U64
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BU of 6u64 by Molmil
Mcl-1 bound to compound 17
分子名称: 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Stuckey, J.A.
登録日2019-08-29
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U67
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BU of 6u67 by Molmil
Mcl-1 bound to compound 24
分子名称: 2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid, BIPHENYL, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Stuckey, J.A.
登録日2019-08-29
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6QI9
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BU of 6qi9 by Molmil
Truncated human R2TP complex, structure 4 (ADP-empty)
分子名称: ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2
著者Munoz-Hernandez, H, Rodriguez, C.F, Llorca, O.
登録日2019-01-18
公開日2019-05-15
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.63 Å)
主引用文献Structural mechanism for regulation of the AAA-ATPases RUVBL1-RUVBL2 in the R2TP co-chaperone revealed by cryo-EM.
Sci Adv, 5, 2019
6QI8
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BU of 6qi8 by Molmil
Truncated human R2TP complex, structure 3 (ADP-filled)
分子名称: ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2
著者Munoz-Hernandez, H, Rodriguez, C.F, Llorca, O.
登録日2019-01-18
公開日2019-04-10
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Structural mechanism for regulation of the AAA-ATPases RUVBL1-RUVBL2 in the R2TP co-chaperone revealed by cryo-EM.
Sci Adv, 5, 2019
6CHZ
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BU of 6chz by Molmil
Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224.
分子名称: 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor
著者Larsen, N.A.
登録日2018-02-23
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
6CCY
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BU of 6ccy by Molmil
Crystal structure of Akt1 in complex with a selective inhibitor
分子名称: (5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one, RAC-alpha serine/threonine-protein kinase,PIFtide
著者Wang, Y, Stout, S.
登録日2018-02-07
公開日2018-05-02
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT.
Bioorg. Med. Chem. Lett., 28, 2018
6PEB
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BU of 6peb by Molmil
Crystal Structure of human NAMPT in complex with NVP-LTM976
分子名称: N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Weihofen, W.A.
登録日2019-06-20
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Scaffold Morphing Identifies 3-Pyridyl Azetidine Ureas as Inhibitors of Nicotinamide Phosphoribosyltransferase (NAMPT).
Acs Med.Chem.Lett., 10, 2019
7S5S
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BU of 7s5s by Molmil
CTX-M-15 WT in complex with BLIP WT
分子名称: Beta-lactamase, Beta-lactamase inhibitory protein
著者Lu, S, Palzkill, T, Hu, L.Y, Prasad, B.V.V, Sankaran, B.
登録日2021-09-11
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An active site loop toggles between conformations to control antibiotic hydrolysis and inhibition potency for CTX-M beta-lactamase drug-resistance enzymes.
Nat Commun, 13, 2022

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