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3CXC
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BU of 3cxc by Molmil
The structure of an enhanced oxazolidinone inhibitor bound to the 50S ribosomal subunit of H. marismortui
分子名称: (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide, 23S RIBOSOMAL RNA, 5'-R(*CP*CP*A)-3', ...
著者Ippolito, J.A, Wang, D, Kanyo, Z.F, Duffy, E.M.
登録日2008-04-24
公開日2009-04-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design at the atomic level: design of biaryloxazolidinones as potent orally active antibiotics.
Bioorg.Med.Chem.Lett., 18, 2008
4U6L
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BU of 4u6l by Molmil
Crystal structure of DNA/RNA duplex obtained in the presence of [Co(NH3)6]Cl3 and SrCl2
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*(5CM)P*TP*CP*TP*TP*CP*TP*TP*(5CM))-3'), RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3'), ...
著者Kondo, J, Nomura, Y, Kitahara, Y, Obika, S, Torigoe, H.
登録日2014-07-29
公開日2015-08-19
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of a 2',4'-BNA(NC)[N-Me]-modified antisense gapmer in complex with the target RNA.
Chem.Commun.(Camb.), 52, 2016
4U5T
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BU of 4u5t by Molmil
Crystal Structure of VBP Leucine Zipper with Bound Arylstibonic Acid
分子名称: (2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid, VBP leucine zipper
著者Stagno, J.R, Ji, X.
登録日2014-07-25
公開日2014-08-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献P6981, an arylstibonic acid, is a novel low nanomolar inhibitor of cAMP response element-binding protein binding to DNA.
Mol.Pharmacol., 82, 2012
6A3N
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BU of 6a3n by Molmil
Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2
分子名称: 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B.
登録日2018-06-15
公開日2019-04-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019
4U6X
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BU of 4u6x by Molmil
Crystal Structure of HLA-A*0201 in complex with ALQDA, a 15 mer self-peptide
分子名称: ALQDA peptide, ALQDAGDSSRKEYFI, Beta-2-microglobulin, ...
著者Gras, S, Chabrol, E, Rossjohn, J.
登録日2014-07-30
公開日2014-12-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Naturally Processed Non-canonical HLA-A*02:01 Presented Peptides.
J.Biol.Chem., 290, 2015
4KCW
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BU of 4kcw by Molmil
Pyruvate kinase (PYK) from Trypanosoma brucei soaked with oxalate
分子名称: 2,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ...
著者Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2013-04-24
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Pyruvate kinases have an intrinsic and conserved decarboxylase activity.
Biochem.J., 458, 2014
2RR9
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BU of 2rr9 by Molmil
The solution structure of the K63-Ub2:tUIMs complex
分子名称: Putative uncharacterized protein UIMC1, ubiquitin
著者Sekiyama, N, Jee, J, Isogai, S, Akagi, K, Huang, T, Ariyoshi, M, Tochio, H, Shirakawa, M.
登録日2010-06-16
公開日2011-07-06
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献The solution structure of the K63-Ub2:tUIMs complex
To be Published
4U7K
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BU of 4u7k by Molmil
Crystal structure of the Clostridium histolyticum colH collagenase polycystic kidney disease-like domain 2a in the presence of calcium at 1.9 Angstrom resolution
分子名称: CALCIUM ION, ColH protein
著者Bauer, R, Janowska, K, Sakon, J, Matsushita, O, Latimer, E.
登録日2014-07-31
公開日2015-03-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH.
Acta Crystallogr.,Sect.D, 71, 2015
4U89
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BU of 4u89 by Molmil
4'-phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis
分子名称: COENZYME A, IMIDAZOLE, PHOSPHATE ION, ...
著者Faille, A, Mourey, L, Pedelacq, J.D.
登録日2014-08-01
公開日2015-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray structure of the 4'-phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis
to be published
5ZQY
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BU of 5zqy by Molmil
Crystal structure of a poly(ADP-ribose) glycohydrolase
分子名称: MAGNESIUM ION, Poly(ADP-ribose) glycohydrolase ARH3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Wang, M, Yuan, Z, Ma, Y, Wang, J, Liu, X.
登録日2018-04-20
公開日2018-08-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.577 Å)
主引用文献Structure-function analyses reveal the mechanism of the ARH3-dependent hydrolysis of ADP-ribosylation.
J. Biol. Chem., 293, 2018
6A94
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BU of 6a94 by Molmil
Crystal structure of 5-HT2AR in complex with zotepine
分子名称: 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ...
著者Kimura, T.K, Asada, H, Inoue, A, Kadji, F.M.N, Im, D, Mori, C, Arakawa, T, Hirata, K, Nomura, Y, Nomura, N, Aoki, J, Iwata, S, Shimamura, T.
登録日2018-07-11
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of the 5-HT2Areceptor in complex with the antipsychotics risperidone and zotepine.
Nat.Struct.Mol.Biol., 26, 2019
1IM9
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BU of 1im9 by Molmil
Crystal structure of the human natural killer cell inhibitory receptor KIR2DL1 bound to its MHC ligand HLA-Cw4
分子名称: Beta-2 microglobulin, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, CW-4 CW*0401 ALPHA CHAIN, ...
著者Fan, Q.R, Long, E.O, Wiley, D.C.
登録日2001-05-10
公開日2001-05-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the human natural killer cell inhibitory receptor KIR2DL1-HLA-Cw4 complex.
Nat.Immunol., 2, 2001
4KC3
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BU of 4kc3 by Molmil
Cytokine/receptor binary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor-like 1, Interleukin-33
著者Liu, X, Wang, X.Q.
登録日2013-04-24
公開日2013-08-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.2702 Å)
主引用文献Structural insights into the interaction of IL-33 with its receptors.
Proc.Natl.Acad.Sci.USA, 110, 2013
1IMW
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BU of 1imw by Molmil
Peptide Antagonist of IGFBP-1
分子名称: IGFBP-1 antagonist
著者Lowman, H.B, Chen, Y.M, Skelton, N.J, Mortensen, D.L, Tomlinson, E.E, Sadick, M.D, Robinson, I.C, Clark, R.G.
登録日2001-05-11
公開日2001-05-30
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
2RHG
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BU of 2rhg by Molmil
Tryptophan synthase complexed with IGP, pH 7.0, internal aldimine
分子名称: INDOLE-3-GLYCEROL PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
著者Kulik, V, Barends, T, Schlichting, I.
登録日2007-10-09
公開日2007-11-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Tryptophan synthase complexed with IGP, pH 7.0, internal aldimine
To be Published
4U6F
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BU of 4u6f by Molmil
Crystal structure of T-2 toxin bound to the yeast 80S ribosome
分子名称: 12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate, 18S ribosomal RNA, 25S ribosomal RNA, ...
著者Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M.
登録日2014-07-28
公開日2014-10-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014
3MAW
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BU of 3maw by Molmil
Structure of the Newcastle disease virus F protein in the post-fusion conformation
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0
著者Jardetzky, T.S, Wen, X.
登録日2010-03-24
公開日2010-05-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of the Newcastle disease virus F protein in the post-fusion conformation.
Virology, 402, 2010
4KEP
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BU of 4kep by Molmil
Crystal structure of 4-pyridoxolactonase, wild-type
分子名称: 1,2-ETHANEDIOL, 4-pyridoxolactonase, ACETATE ION, ...
著者Kobayashi, J, Yoshikane, Y, Baba, S, Mizutani, K, Takahashi, N, Mikami, B, Yagi, T.
登録日2013-04-26
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure of 4-pyridoxolactonase from Mesorhizobium loti.
Acta Crystallogr.,Sect.F, 70, 2014
4UAB
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BU of 4uab by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound ethanolamine
分子名称: CHLORIDE ION, ETHANOLAMINE, Twin-arginine translocation pathway signal
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-08-08
公開日2014-09-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4UAV
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BU of 4uav by Molmil
Crystal structure of CbbY (AT3G48420) from Arabidobsis thaliana
分子名称: Haloacid dehalogenase-like hydrolase domain-containing protein At3g48420, MAGNESIUM ION
著者Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M.
登録日2014-08-11
公開日2014-12-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
Nat.Plants, 1, 2015
4KQB
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BU of 4kqb by Molmil
crystal structure of the Golgi casein kinase with Mn/ADP bound
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
著者Xiao, J.
登録日2013-05-14
公開日2013-06-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.045 Å)
主引用文献Crystal structure of the Golgi casein kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
3DGY
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BU of 3dgy by Molmil
Crystal structure of ribonuclease Sa2 with guanosine-2'-cyclophosphate
分子名称: GUANOSINE-2'-MONOPHOSPHATE, Ribonuclease, SULFATE ION, ...
著者Sevcik, J, Bauerova-Hlinkova, V.
登録日2008-06-16
公開日2009-06-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of RNase Sa2 complexes with mononucleotides - new aspects of catalytic reaction and substrate recognition
Febs J., 276, 2009
3DH2
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BU of 3dh2 by Molmil
Crystal structure of ribonuclease Sa2 with guanosine-3'-cyclophosphate prepared by cocrystallization
分子名称: GUANOSINE-3'-MONOPHOSPHATE, Ribonuclease, SULFATE ION, ...
著者Sevcik, J, Bauerova-Hlinkova, V.
登録日2008-06-16
公開日2009-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of RNase Sa2 complexes with mononucleotides - new aspects of catalytic reaction and substrate recognition
Febs J., 276, 2009
4UFE
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BU of 4ufe by Molmil
Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-butyl)-3-phenyl-propanamide
分子名称: (2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
著者Ruehmann, E, Heine, A, Klebe, G.
登録日2015-03-16
公開日2016-01-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.593 Å)
主引用文献Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
4K1H
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Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
著者Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
登録日2013-04-05
公開日2013-06-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
Sci Rep, 3, 2013

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