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3JBN
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BU of 3jbn by Molmil
Cryo-electron microscopy reconstruction of the Plasmodium falciparum 80S ribosome bound to P-tRNA
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein eS1, ...
著者Sun, M, Li, W, Blomqvist, K, Das, S, Hashem, Y, Dvorin, J.D, Frank, J.
登録日2015-09-16
公開日2015-10-14
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Dynamical features of the Plasmodium falciparum ribosome during translation.
Nucleic Acids Res., 43, 2015
5YCP
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BU of 5ycp by Molmil
Human PPARgamma ligand binding domain complexed with Rosiglitazone
分子名称: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Nuclear receptor coactivator 1, ...
著者Jang, J.Y, Han, B.W.
登録日2017-09-07
公開日2018-09-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Enhanced Anti-Diabetic Efficacy of Lobeglitazone on PPAR gamma.
Sci Rep, 8, 2018
2ZDY
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BU of 2zdy by Molmil
Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Kawamoto, M, Shiromizu, I, Kukimoto-Niino, M, Tokmakov, A, Terada, T, Shirouzu, M, Matsusue, T, Yokoyama, S.
登録日2007-12-01
公開日2008-12-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4.
Acta Crystallogr.,Sect.D, 67, 2011
3JV0
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BU of 3jv0 by Molmil
Crystal structure of a mutant of RelB dimerization domain(M6)
分子名称: Transcription factor RelB
著者Vu, D, Huang, D.B, Ghosh, G.
登録日2009-09-15
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Instability of the RelB dimerization domain is functionally importent
To be Published
2ZG2
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BU of 2zg2 by Molmil
Crystal Structure of Two N-terminal Domains of Native Siglec-5
分子名称: Sialic acid-binding Ig-like lectin 5
著者Zhuravleva, M.A, Sun, P.D.
登録日2008-01-17
公開日2008-02-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural implications of Siglec-5-mediated sialoglycan recognition
J.Mol.Biol., 375, 2008
2ZHB
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BU of 2zhb by Molmil
Complex structure of AFCCA with tRNAminiDUC
分子名称: CCA-adding enzyme, SULFATE ION, tRNA (34-MER)
著者Toh, Y, Tomita, K.
登録日2008-02-01
公開日2008-08-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Molecular basis for maintenance of fidelity during the CCA-adding reaction by a CCA-adding enzyme
Embo J., 27, 2008
6XAE
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BU of 6xae by Molmil
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
分子名称: Nuclear receptor ROR-gamma, trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid
著者Sack, J.S.
登録日2020-06-04
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.257 Å)
主引用文献Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
1M6Y
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BU of 1m6y by Molmil
Crystal Structure Analysis of TM0872, a Putative SAM-dependent Methyltransferase, Complexed with SAH
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, S-adenosyl-methyltransferase mraW, SULFATE ION
著者Miller, D.J, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2002-07-17
公開日2003-01-28
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal complexes of a predicted S-adenosylmethionine-dependent methyltransferase reveal a typical AdoMet binding domain and a substrate recognition domain
Protein Sci., 12, 2003
1M5V
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BU of 1m5v by Molmil
Transition State Stabilization by a Catalytic RNA
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, RNA HAIRPIN RIBOZYME, ...
著者Rupert, P.B, Massey, A.P, Sigurdsson, S.T, Ferre-D'Amare, A.R.
登録日2002-07-09
公開日2002-10-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Transition state stabilization by a catalytic RNA
Science, 298, 2002
3JPV
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BU of 3jpv by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a pyrrolo[2,3-a]carbazole ligand
分子名称: 1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde, Peptide (PIMTIDE) ARKRRRHPSGPPTA, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Filippakopoulos, P, Bullock, A.N, Fedorov, O, Akue-Gedu, R, Rossignol, E, Azzaro, S, Bain, J, Cohen, P, Prudhomme, M, Moreau, P, Amizon, F, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-09-04
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new pim kinase inhibitors.
J.Med.Chem., 52, 2009
1M90
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BU of 1m90 by Molmil
Co-crystal structure of CCA-Phe-caproic acid-biotin and sparsomycin bound to the 50S ribosomal subunit
分子名称: 23S RRNA, 5S RRNA, 6-AMINOHEXANOIC ACID, ...
著者Hansen, J.L, Schmeing, T.M, Moore, P.B, Steitz, T.A.
登録日2002-07-26
公開日2002-09-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into peptide bond formation.
Proc.Natl.Acad.Sci.USA, 99, 2002
6SFO
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BU of 6sfo by Molmil
MAPK14 with bound inhibitor SR-318
分子名称: 5-azanyl-~{N}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ...
著者Schroeder, M, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-08-01
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献MAPK14 with bound inhibitor SR-318
To Be Published
5Y1J
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BU of 5y1j by Molmil
Crystal structure of human FXR in complex with a functional drug ligand
分子名称: 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
著者Lu, Y, Li, Y.
登録日2017-07-20
公開日2018-10-31
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of human FXR in complex with a functional drug liagnd
To Be Published
6SP9
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BU of 6sp9 by Molmil
Fragment KCL802 in complex with MAP kinase p38-alpha
分子名称: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, CALCIUM ION, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2019-08-31
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5Y2O
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BU of 5y2o by Molmil
Structure of PPARgamma ligand binding domain-pioglitazone complex
分子名称: (5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
著者Im, Y.J, Lee, M.
登録日2017-07-26
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structures of PPAR gamma complexed with lobeglitazone and pioglitazone reveal key determinants for the recognition of antidiabetic drugs
Sci Rep, 7, 2017
1MH0
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BU of 1mh0 by Molmil
Crystal structure of the anticoagulant slow form of thrombin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin
著者Pineda, A.O, Savvides, S, Waksman, G, Di Cera, E.
登録日2002-08-18
公開日2002-11-08
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the anticoagulant slow form of thrombin
J.Biol.Chem., 277, 2002
6SOU
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BU of 6sou by Molmil
Fragment N13565a in complex with MAP kinase p38-alpha
分子名称: 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone, CHLORIDE ION, Mitogen-activated protein kinase 14, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2019-08-29
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
3JUZ
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BU of 3juz by Molmil
Crystal structure of a mutant of RelB dimerization domain(M5)
分子名称: Transcription factor RelB
著者Vu, D, Huang, D.B, Ghosh, G.
登録日2009-09-15
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Instability of the RelB dimerization domain is functionally important
To be Published
5VB3
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BU of 5vb3 by Molmil
X-ray structure of nuclear receptor ROR-gammat Ligand Binding Domain + SRC2 peptide
分子名称: Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION
著者Li, X.
登録日2017-03-28
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
3JY0
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BU of 3jy0 by Molmil
Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
分子名称: 8-chloro-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Stoll, V.S.
登録日2009-09-21
公開日2009-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
To be Published
7YFN
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BU of 7yfn by Molmil
Core module of the NuA4 complex in S. cerevisiae
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ARP4 isoform 1, Actin, ...
著者Ji, L.T, Zhao, L.X, Xu, K, Gao, H.H, Zhou, Y, Kornberg, R.D, Zhang, H.Q.
登録日2022-07-08
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of the NuA4 histone acetyltransferase complex.
Proc.Natl.Acad.Sci.USA, 119, 2022
8RTT
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BU of 8rtt by Molmil
Structure of the formin Cdc12 bound to the barbed end of phalloidin-stabilized F-actin.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
著者Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P.
登録日2024-01-29
公開日2024-04-10
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Molecular mechanism of actin filament elongation by formins.
Science, 384, 2024
6XZV
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BU of 6xzv by Molmil
Structure of zVDR LBD-Calcitriol in complex with chimera 18
分子名称: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, URA-UIA-URL-URY-URV-UZN-LYS, Vitamin D3 receptor A
著者Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G.
登録日2020-02-05
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 60, 2021
8GXP
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BU of 8gxp by Molmil
Complex structure of RORgama with betulinic acid
分子名称: Betulinic acid, Nuclear receptor ROR-gamma
著者Zhang, X.L, Xu, C, Bai, F.
登録日2022-09-20
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists.
Eur.J.Med.Chem., 257, 2023
5SYB
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BU of 5syb by Molmil
Crystal structure of human PHF5A
分子名称: 1,2-ETHANEDIOL, PHD finger-like domain-containing protein 5A, ZINC ION
著者Tsai, J.H.C, Teng, T, Zhu, P, Fekkes, P, Larsen, N.A.
登録日2016-08-10
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Splicing modulators act at the branch point adenosine binding pocket defined by the PHF5A-SF3b complex.
Nat Commun, 8, 2017

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件を2024-09-11に公開中

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