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4URW
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The crystal structure of H-Ras and SOS in complex with ligands
分子名称: 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
著者Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
登録日2014-07-02
公開日2015-03-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4UW1
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X-ray crystal structure of human TNKS in complex with a small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, 3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one, GLYCEROL, ...
著者Oliver, A.W, Rajasekaran, M.B, Pearl, L.H.
登録日2014-08-08
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Design and Discovery of 3-Aryl-5-Substituted-Isoquinolin-1-Ones as Potent and Selective Tankyrase Inhibitors
Medchemcommm, 6, 2015
6J04
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BU of 6j04 by Molmil
Crystal structure of full length human LC3B delta G120 mutant (2_125)
分子名称: Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION
著者Ding, Y, Lu, B.X, Wang, Z.Y.
登録日2018-12-21
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Allele-selective lowering of mutant HTT protein by HTT-LC3 linker compounds
Nature, 575, 2019
6QBA
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Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand A1120 and engineered binding scaffold
分子名称: 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Mlynek, G, Brey, C.U, Djinovic-Carugo, K, Puehringer, D.
登録日2018-12-20
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A conformation-specific ON-switch for controlling CAR T cells with an orally available drug.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PLB
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Adducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimida zol-2-ylidene)(eta5-pentamethylcyclopentadienyl)iridium(III) with HEWL
分子名称: 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole, Lysozyme, SODIUM ION
著者Sullivan, M.P, Hartinger, C.G, Goldstone, D.C.
登録日2019-06-30
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation.
Angew.Chem.Int.Ed.Engl., 2021
7T0O
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BU of 7t0o by Molmil
cryoEM reconstruction of the HIV gp140 in complex with the extracellular domains of CD4 and the adnectin domain of Combinectin. The gp140 and CD4 coordinates from entry 6EDU were rigid body fitted to the EM map along withe the crystal structure of CD4+adnectin
分子名称: Adnectin, BG505 SOSIP.664 gp140, T-cell surface glycoprotein CD4
著者Concha, N.O, William, S.P, Wenzel, D.L.
登録日2021-11-30
公開日2022-01-12
実験手法ELECTRON MICROSCOPY (8.7 Å)
主引用文献Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
7T0R
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Crystal structure of the anti-CD4 adnectin 6940_B01 as a complex with the extracellular domains of CD4 and ibalizumab fAb
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adnectin 6940_B01, Ibalizumab Heavy Chain, ...
著者Williams, S.P, Concha, N.O, Wensel, D.L, Hong, X.
登録日2021-11-30
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
1SHX
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BU of 1shx by Molmil
Ephrin A5 ligand structure
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin-A5
著者Himanen, J.P, Barton, W.A, Nikolov, D.B, Jeffrey, P.D.
登録日2004-02-26
公開日2005-04-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Three distinct molecular surfaces in ephrin-A5 are essential for a functional interaction with EphA3.
J.Biol.Chem., 280, 2005
8I54
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BU of 8i54 by Molmil
Lb2Cas12a RNA DNA complex
分子名称: DNA (25-MER), DNA (5'-D(*AP*GP*TP*GP*CP*TP*TP*TP*A)-3'), Lb2Cas12a, ...
著者Li, J, Sivaraman, J, Satoru, M.
登録日2023-01-24
公開日2023-02-22
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Structures of apo Cas12a and its complex with crRNA and DNA reveal the dynamics of ternary complex formation and target DNA cleavage.
Plos Biol., 21, 2023
4RDR
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BU of 4rdr by Molmil
Structure of the bacterial Zn-transporter ZnuD from Neisseria meningitidis (locked conformation bound to zinc and cadmium ions)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, CADMIUM ION, ...
著者Calmettes, C, Moraes, T.F.
登録日2014-09-19
公開日2015-08-19
最終更新日2015-09-16
実験手法X-RAY DIFFRACTION (2.472 Å)
主引用文献The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD.
Nat Commun, 6, 2015
4RDT
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Structure of the bacterial Zn-transporter ZnuD from Neisseria meningitidis (flexible conformation bound to a zinc ion)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, GLYCEROL, SULFATE ION, ...
著者Calmettes, C, El Bakkouri, M, Moraes, T.F.
登録日2014-09-19
公開日2015-08-19
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD.
Nat Commun, 6, 2015
4RVW
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Structure of the bacterial Zn-transporter ZnuD from Neisseria meningitidis (soaked with 20 micromolar Zinc)
分子名称: SULFATE ION, ZINC ION, ZnuD
著者Calmettes, C, Moraes, T.F.
登録日2014-11-28
公開日2015-08-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4.477 Å)
主引用文献The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD.
Nat Commun, 6, 2015
6J2A
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BU of 6j2a by Molmil
The structure of HLA-A*3003/NP44
分子名称: Beta-2-microglobulin, HLA-A*3003, NP44
著者Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J.
登録日2018-12-31
公開日2019-09-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
6J1W
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BU of 6j1w by Molmil
The structure of HLA-A*3001/RT313
分子名称: ALA-ILE-PHE-GLN-SER-SER-MET-THR-LYS, Beta-2-microglobulin, HLA-A*3001
著者Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J.
登録日2018-12-29
公開日2019-09-25
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
4QH3
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X-ray structure of the adduct formed between bovine pancreatic ribonuclease and trans-dimethylamine methylamine dichlorido platinum(II)
分子名称: Ribonuclease pancreatic, bis(chloranyl)-(dimethylamino)-(methylamino)platinum
著者Russo Krauss, I, Merlino, A.
登録日2014-05-26
公開日2014-07-30
最終更新日2014-08-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interactions between Anticancer trans-Platinum Compounds and Proteins: Crystal Structures and ESI-MS Spectra of Two Protein Adducts of trans-(Dimethylamino)(methylamino)dichloridoplatinum(II).
Inorg.Chem., 53, 2014
6J29
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The structure of HLA-A*3003/MTB
分子名称: Beta-2-microglobulin, HLA-A*3003, MTB
著者Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J.
登録日2018-12-31
公開日2019-09-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
4QGZ
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BU of 4qgz by Molmil
X-ray structure of the adduct formed between hen egg white lysozyme and trans-dimethylamine methylamine dichlorido platinum(II)
分子名称: Lysozyme C, bis(chloranyl)-(dimethylamino)-(methylamino)platinum
著者Russo Krauss, I, Merlino, A.
登録日2014-05-26
公開日2014-07-30
最終更新日2014-08-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Interactions between Anticancer trans-Platinum Compounds and Proteins: Crystal Structures and ESI-MS Spectra of Two Protein Adducts of trans-(Dimethylamino)(methylamino)dichloridoplatinum(II).
Inorg.Chem., 53, 2014
6J1V
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BU of 6j1v by Molmil
The structure of HLA-A*3003/RT313
分子名称: Beta-2-microglobulin, HLA-A*3003, RT313
著者Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J.
登録日2018-12-29
公開日2019-09-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
2HSG
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BU of 2hsg by Molmil
Structure of transcription regulator CcpA in its DNA-free state
分子名称: Glucose-resistance amylase regulator
著者Loll, B, Alings, C, Saenger, W, Biesiadka, J.
登録日2006-07-21
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of full-length transcription regulator CcpA in the apo form.
Biochim.Biophys.Acta, 1774, 2007
2HH0
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Structure of an Anti-PrP Fab, P-Clone, in Complex with its Cognate Bovine Peptide Epitope.
分子名称: Heavy Chain, P-Clone Fab, Chimera, ...
著者Kanyo, Z.K.
登録日2006-06-27
公開日2006-12-26
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Directed evolution of an anti-prion protein scFv fragment to an affinity of 1 pM and its structural interpretation
J.Mol.Biol., 363, 2006
4PVZ
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Structure of yeast importin a bound to the membrane protein Nuclear Localization Signal sequence of INM protein Heh2
分子名称: Importin subunit alpha, Inner nuclear membrane protein HEH2
著者Lokareddy, R.K, Hapsari, A.R, van Rheenen, M, Bhardwaj, A, Veenhoff, L.M, Cingolani, C.
登録日2014-03-18
公開日2015-08-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Distinctive Properties of the Nuclear Localization Signals of Inner Nuclear Membrane Proteins Heh1 and Heh2.
Structure, 23, 2015
6JBX
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BU of 6jbx by Molmil
Crystal structure of Streptococcus pneumoniae FabT in complex with DNA
分子名称: DNA (5'-D(*AP*AP*TP*AP*GP*TP*TP*TP*GP*AP*CP*TP*GP*TP*CP*AP*AP*AP*TP*TP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*AP*AP*TP*TP*TP*GP*AP*CP*AP*GP*TP*CP*AP*AP*AP*CP*TP*AP*TP*T)-3'), Fatty acid biosynthesis transcriptional regulator, ...
著者Zuo, G, Chen, Z.P, Li, Q, Zhou, C.Z.
登録日2019-01-27
公開日2019-07-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into repression of the Pneumococcal fatty acid synthesis pathway by repressor FabT and co-repressor acyl-ACP.
Febs Lett., 593, 2019
5CJ2
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Ran GDP Y39A mutant triclinic crystal form
分子名称: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Vetter, I.R, Brucker, S.
登録日2015-07-13
公開日2015-09-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy.
J.Biol.Chem., 290, 2015
5CLQ
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Ran Y39A in complex with GPPNHP and RanBD1
分子名称: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
著者Vetter, I.R, Brucker, S.
登録日2015-07-16
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy.
J.Biol.Chem., 290, 2015
5CLL
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Truncated Ran wild type in complex with GDP-BeF and RanBD1
分子名称: BERYLLIUM TRIFLUORIDE ION, E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, ...
著者Vetter, I.R, Brucker, S.
登録日2015-07-16
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy.
J.Biol.Chem., 290, 2015

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