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4RUP
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Crystal structure of zVDR L337H mutant-Gemini72 complex
分子名称: (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Huet, T, Moras, D, Rochel, N.
登録日2014-11-21
公開日2015-10-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects.
Cell Rep, 10, 2015
1VEE
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BU of 1vee by Molmil
NMR structure of the hypothetical rhodanese domain At4g01050 from Arabidopsis thaliana
分子名称: proline-rich protein family
著者Pantoja-Uceda, D, Lopez-Mendez, B, Koshiba, S, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Tanaka, A, Seki, M, Shinozaki, K, Yokoyama, S, Guntert, P, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-03-30
公開日2005-01-25
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the rhodanese homology domain At4g01050(175-295) from Arabidopsis thaliana
Protein Sci., 14, 2005
4RW3
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BU of 4rw3 by Molmil
Structural insights into substrate binding of brown spider venom class II phospholipases D
分子名称: D-MYO-INOSITOL-1-PHOSPHATE, DECANOIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Coronado, M.A, Ullah, A, da Silva, L.S, Chaves-Moreira, D, Vuitika, L, Chaim, O.M, Veiga, S.S, Chahine, J, Murakami, M.T, Arni, R.K.
登録日2014-12-01
公開日2015-06-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural Insights into Substrate Binding of Brown Spider Venom Class II Phospholipases D.
Curr Protein Pept Sci, 16, 2015
4TQF
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BU of 4tqf by Molmil
Crystal Structure of the C-terminal domain of IFRS bound with 2-(5-bromothienyl)-L-Ala and ATP
分子名称: 1,2-ETHANEDIOL, 3-(5-bromothiophen-2-yl)-L-alanine, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Nakamura, A, O'Donoghue, P, Soll, D.
登録日2014-06-11
公開日2014-11-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7143 Å)
主引用文献Polyspecific pyrrolysyl-tRNA synthetases from directed evolution.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RW5
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Structural insights into substrate binding of brown spider venom class II phospholipases D
分子名称: GLYCEROL, MAGNESIUM ION, N-TRIDECANOIC ACID, ...
著者Coronado, M.A, Ullah, A, da Silva, L.S, Chaves-Moreira, D, Vuitika, L, Chaim, O.M, Veiga, S.S, Chahine, J, Murakami, M.T, Arni, R.K.
登録日2014-12-01
公開日2015-06-03
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural Insights into Substrate Binding of Brown Spider Venom Class II Phospholipases D.
Curr Protein Pept Sci, 16, 2015
4RML
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BU of 4rml by Molmil
Crystal structure of the Olfactomedin domain of latrophilin 3 in C2221 crystal form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Latrophilin-3, MAGNESIUM ION
著者Ranaivoson, F.M, Liu, Q, Martini, F, Bergami, F, Von daake, S, Li, S, Demeler, B, Hendrickson, W.A, Comoletti, D.
登録日2014-10-21
公開日2015-08-19
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structural and Mechanistic Insights into the Latrophilin3-FLRT3 Complex that Mediates Glutamatergic Synapse Development.
Structure, 23, 2015
1VJ4
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BU of 1vj4 by Molmil
SEQUENCE-DEPENDENT CONFORMATION OF AN A-DNA DOUBLE HELIX: THE CRYSTAL STRUCTURE OF THE OCTAMER D(G-G-T-A-T-A-C-C)
分子名称: 5'-D(*GP*GP*TP*AP*TP*AP*CP*C)-3'
著者Shakked, Z, Rabinovich, D, Kennard, O, Cruse, W.B, Salisbury, S.A, Viswamitra, M.A.
登録日1989-01-11
公開日1989-01-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sequence-dependent conformation of an A-DNA double helix: The crystal structure of the octamer d(G-G-T-A-T-A-C-C)
J.Mol.Biol., 166, 1983
1VDY
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BU of 1vdy by Molmil
NMR Structure of the hypothetical ENTH-VHS domain At3g16270 from Arabidopsis thaliana
分子名称: hypothetical protein (RAFL09-17-B18)
著者Lopez-Mendez, B, Pantoja-Uceda, D, Tomizawa, T, Koshiba, S, Kigawa, T, Shirouzu, M, Terada, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Seki, M, Shinozaki, K, Yokoyama, S, Guntert, P, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-03-25
公開日2005-05-03
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the hypothetical ENTH-VHS domain AT3G16270 from arabidopsis thaliana
To be Published
1W1D
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BU of 1w1d by Molmil
Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain bound to Inositol (1,3,4,5)-tetrakisphosphate
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, GOLD ION, ...
著者Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2004-06-21
公開日2004-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates
Embo J., 23, 2004
3QCQ
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BU of 3qcq by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine
分子名称: 3-phosphoinositide-dependent protein kinase 1, 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine, GLYCEROL, ...
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCX
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Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-{2-Amino-6-[(3R)-3-methyl-4-morpholinyl]-4-pyrimidinyl}-1H-indazol-3-amine
分子名称: 3-phosphoinositide-dependent protein kinase 1, 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine, GLYCEROL, ...
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
5LO1
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BU of 5lo1 by Molmil
HSP90 WITH indazole derivative
分子名称: 1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide, Heat shock protein HSP 90-alpha
著者Graedler, U, Amaral, M, Schuetz, D.
登録日2016-08-08
公開日2017-11-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
2MBX
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BU of 2mbx by Molmil
Structure, dynamics and stability of allergen cod parvalbumin Gad m 1 by solution and high-pressure NMR.
分子名称: CALCIUM ION, Parvalbumin beta
著者Moraes, A.H, Ackerbauer, D, Bublin, M, Ferreira, F, Almeida, F.C.L, Breiteneder, H, Valente, A.
登録日2013-08-07
公開日2014-08-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution and high-pressure NMR studies of the structure, dynamics, and stability of the cross-reactive allergenic cod parvalbumin Gad m 1.
Proteins, 82, 2014
7CZ5
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BU of 7cz5 by Molmil
Cryo-EM structure of the human growth hormone-releasing hormone receptor-Gs protein complex
分子名称: CHOLESTEROL, Growth hormone-releasing hormone receptor,growth hormone-releasing hormone receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhou, F, Zhang, H, Cong, Z, Zhao, L, Zhou, Q, Mao, C, Cheng, X, Shen, D, Cai, X, Ma, C, Wang, Y, Dai, A, Zhou, Y, Sun, W, Zhao, F, Zhao, S, Jiang, H, Jiang, Y, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
登録日2020-09-07
公開日2020-11-18
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for activation of the growth hormone-releasing hormone receptor.
Nat Commun, 11, 2020
7D68
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Cryo-EM structure of the human glucagon-like peptide-2 receptor-Gs protein complex
分子名称: Glucagon-like peptide 2 receptor, 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, ...
著者Sun, W, Chen, L, Zhou, Q, Zhao, L, Zhang, H, Cong, Z, Shen, D, Zhao, F, Zhou, F, Cai, X, Chen, Y, Zhou, Y, Gadgaard, S, van der Velden, W.J, Zhao, S, Jiang, Y, Rosenkilde, M.M, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
登録日2020-09-29
公開日2020-12-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A unique hormonal recognition feature of the human glucagon-like peptide-2 receptor.
Cell Res., 30, 2020
4CZV
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BU of 4czv by Molmil
Structure of the Neurospora crassa Pan2 WD40 domain
分子名称: CHLORIDE ION, GLYCEROL, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN2
著者Peter, D, Jonas, S, Izaurralde, E, Weichenrieder, O.
登録日2014-04-22
公開日2014-06-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An Asymmetric Pan3 Dimer Recruits a Single Pan2 Exonuclease to Mediate Mrna Deadenylation and Decay.
Nat.Struct.Mol.Biol., 21, 2014
5LNY
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HSP90 WITH indazole derivative
分子名称: 6-Hydroxy-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide, Heat shock protein HSP 90-alpha
著者Graedler, U, Amaral, M, Schuetz, D.
登録日2016-08-08
公開日2017-11-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
4CSV
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Tyrosine kinase AS - a common ancestor of Src and Abl bound to Gleevec
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, SRC-ABL TYROSINE KINASE ANCESTOR
著者Kutter, S, Wilson, C, Cruz, L, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Kern, D.
登録日2014-03-10
公開日2015-03-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
5LDD
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Crystal structure of the heterodimeric GEF Mon1-Ccz1 in complex with Ypt7
分子名称: Ccz1, Mon1, Rab small monomeric GTPase-like protein, ...
著者Kiontke, S, Kuemmel, D.
登録日2016-06-24
公開日2017-01-18
最終更新日2018-03-14
実験手法X-RAY DIFFRACTION (2.496 Å)
主引用文献Architecture and mechanism of the late endosomal Rab7-like Ypt7 guanine nucleotide exchange factor complex Mon1-Ccz1.
Nat Commun, 8, 2017
4G76
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Structure of PaeM, a colicin M-like bacteriocin produced by Pseudomonas aeruginosa
分子名称: Phosphodiesterase
著者Touze, T, Graille, M, Mengin-Lecreulx, D.
登録日2012-07-20
公開日2012-09-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.385 Å)
主引用文献Functional and Structural Characterization of PaeM, a Colicin M-like Bacteriocin Produced by Pseudomonas aeruginosa.
J.Biol.Chem., 287, 2012
5MAU
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Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 (pH 6.5)
分子名称: Chlorite dismutase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
登録日2016-11-04
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
5ME0
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Structure of the 30S Pre-Initiation Complex 1 (30S IC-1) Stalled by GE81112
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Lopez-Alonso, J.P, Fabbretti, A, Kaminishi, T, Iturrioz, I, Brandi, L, Gil Carton, D, Gualerzi, C, Fucini, P, Connell, S.
登録日2016-11-14
公開日2017-01-11
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (13.5 Å)
主引用文献Structure of a 30S pre-initiation complex stalled by GE81112 reveals structural parallels in bacterial and eukaryotic protein synthesis initiation pathways.
Nucleic Acids Res., 45, 2017
4M5T
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Disulfide trapped human alphaB crystallin core domain in complex with C-terminal peptide
分子名称: Alpha-crystallin B chain, SULFATE ION
著者Laganowsky, A, Cascio, D, Hochberg, G, Sawaya, M.R, Benesch, J.L.P, Robinson, C.V, Eisenberg, D.
登録日2013-08-08
公開日2014-04-09
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structured core domain of alpha B-crystallin can prevent amyloid fibrillation and associated toxicity.
Proc.Natl.Acad.Sci.USA, 111, 2014
5MAO
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HERA HELICASE RNA BINDING DOMAIN with TNCS in P212121
分子名称: Heat resistant RNA dependent ATPase, SULFATE ION
著者Rudolph, M.G, Klostermeier, D.
登録日2016-11-03
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structure of HERA CTD
To be published
5MHP
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Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
分子名称: 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Fleury, D, Mueller, I, Lamers, M, Triballeau, N, Mollat, P, Vercheval, L.
登録日2016-11-25
公開日2017-08-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis.
J. Med. Chem., 60, 2017

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