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2ESA
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BU of 2esa by Molmil
GRP94 n-terminal domain bound to geldanamycin: effects of mutants 168-169 KS-AA
分子名称: Endoplasmin, GELDANAMYCIN, TETRAETHYLENE GLYCOL, ...
著者Immormino, R.M, Metzger IV, L.E, Gewirth, D.T.
登録日2005-10-25
公開日2006-10-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of GRP94 with the specific mutation KS168-169AA; with bound Geldanamycin
To be Published
2FE8
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BU of 2fe8 by Molmil
SARS coronavirus papain-like protease: structure of a viral deubiquitinating enzyme
分子名称: BROMIDE ION, Replicase polyprotein 1ab, SULFATE ION, ...
著者Ratia, K, Santarsiero, B.D, Mesecar, A.D.
登録日2005-12-15
公開日2006-03-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Severe acute respiratory syndrome coronavirus papain-like protease: Structure of a viral deubiquitinating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
2F2T
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BU of 2f2t by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.7 A resolution with 5-Aminoisoquinoline bound
分子名称: GLYCEROL, ISOQUINOLIN-5-AMINE, Nucleoside 2-deoxyribosyltransferase, ...
著者Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2005-11-17
公開日2005-11-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
2FOL
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BU of 2fol by Molmil
Crystal structure of human RAB1A in complex with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-1A, ...
著者Wang, J, Tempel, W, Shen, Y, Shen, L, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2006-01-13
公開日2006-01-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.631 Å)
主引用文献Crystal structure of human RAB1A in complex with GDP
To be Published
2FZ2
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BU of 2fz2 by Molmil
Structure of Turnip Yellow Mosaic Virus at 100 K
分子名称: 5'-R(*CP*CP*C)-3', Coat protein
著者Larson, S.B, Lucas, R.W, McPherson, A.
登録日2006-02-08
公開日2006-02-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The RNA of turnip yellow mosaic virus exhibits icosahedral order.
Virology, 334, 2005
2FZ1
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BU of 2fz1 by Molmil
Structure of Empty Head Turnip Yellow Mosaic Virus (ATC) at 100 K
分子名称: Coat protein
著者Larson, S.B, Lucas, R.W, McPherson, A.
登録日2006-02-08
公開日2006-02-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The RNA of turnip yellow mosaic virus exhibits icosahedral order.
Virology, 334, 2005
2FV7
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BU of 2fv7 by Molmil
Crystal structure of human ribokinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribokinase, ...
著者Rabeh, W.M, Tempel, W, Nedyalkova, L, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2006-01-30
公開日2006-02-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human ribokinase
to be published
2FWY
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BU of 2fwy by Molmil
Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H64
分子名称: 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE, Heat shock protein HSP 90-alpha
著者Immormino, R.M, Gewirth, D.T.
登録日2006-02-03
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and quantum chemical studies of 8-aryl-sulfanyl adenine class Hsp90 inhibitors.
J.Med.Chem., 49, 2006
2FXS
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BU of 2fxs by Molmil
Yeast HSP82 in complex with the novel HSP90 Inhibitor Radamide
分子名称: ATP-dependent molecular chaperone HSP82, GLYCEROL, METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE
著者Immormino, R.M, Gewirth, D.T.
登録日2006-02-06
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Different poses for ligand and chaperone in inhibitor-bound Hsp90 and GRP94: implications for paralog-specific drug design.
J.Mol.Biol., 388, 2009
2FYP
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BU of 2fyp by Molmil
GRP94 in complex with the novel HSP90 Inhibitor Radester amine
分子名称: 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE, Endoplasmin, PENTAETHYLENE GLYCOL, ...
著者Immormino, R.M, Gewirth, D.T.
登録日2006-02-08
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Inhibittory Ligands Adopt Different Conformations When Bound to Hsp90 or GRP94: Implications for Paralog-specific Drug Design
To be Published
2G1L
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BU of 2g1l by Molmil
Crystal structure of the FHA domain of human kinesin family member C
分子名称: CHLORIDE ION, Kinesin-like protein KIF1C, NICKEL (II) ION, ...
著者Wang, J, Tempel, W, Shen, Y, Shen, L, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2006-02-14
公開日2006-02-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Crystal structure of the FHA domain of human kinesin family member C
to be published
2FWZ
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BU of 2fwz by Molmil
Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H71
分子名称: 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE, Heat shock protein HSP 90-alpha
著者Immormino, R.M, Gewirth, D.T.
登録日2006-02-03
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and quantum chemical studies of 8-aryl-sulfanyl adenine class Hsp90 inhibitors.
J.Med.Chem., 49, 2006
5W1W
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BU of 5w1w by Molmil
Structure of the HLA-E-VMAPRTLVL/GF4 TCR complex
分子名称: Beta-2-microglobulin, GF4 T cell receptor alpha chain, GF4 T cell receptor beta chain, ...
著者Gras, S, Walpole, N, Farenc, C, Rossjohn, J.
登録日2017-06-05
公開日2017-10-04
最終更新日2018-01-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A conserved energetic footprint underpins recognition of human leukocyte antigen-E by two distinct alpha beta T cell receptors.
J. Biol. Chem., 292, 2017
5W61
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BU of 5w61 by Molmil
Crystal structure of BAXP168G monomer co-crystallized with glycerol
分子名称: Apoptosis regulator BAX
著者Robin, A.Y, Colman, P.M, Czabotar, P.E.
登録日2017-06-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5W60
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BU of 5w60 by Molmil
Crystal structure of BAXP168G monomer cryo-protected with ethylene glycol
分子名称: Apoptosis regulator BAX, SULFATE ION
著者Robin, A.Y, Colman, P.M, Czabotar, P.E.
登録日2017-06-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5W3N
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BU of 5w3n by Molmil
Molecular structure of FUS low sequence complexity domain protein fibrils
分子名称: RNA-binding protein FUS
著者Murray, D.T, Kato, M, Lin, Y, Thurber, K, Hung, I, McKnight, S, Tycko, R.
登録日2017-06-08
公開日2017-09-27
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Structure of FUS Protein Fibrils and Its Relevance to Self-Assembly and Phase Separation of Low-Complexity Domains.
Cell, 171, 2017
2M5T
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BU of 2m5t by Molmil
Solution structure of the 2A proteinase from a common cold agent, human rhinovirus RV-C02, strain W12
分子名称: ZINC ION, human rhinovirus 2A proteinase
著者Lee, W, Frederick, R, Tonelli, M, Troupis, A.T, Reinin, N, Suchy, F.P, Moyer, K, Watters, K, Aceti, D, Palmenberg, A.C, Markley, J.L.
登録日2013-03-07
公開日2014-03-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of the 2A Protease from a Common Cold Agent, Human Rhinovirus C2, Strain W12.
Plos One, 9, 2014
5WDX
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BU of 5wdx by Molmil
Structure of NS3 from HCV strain JFH-1 that is an unusually robust helicase that is primed to bind and unwind viral RNA
分子名称: JFH-1 NS3, MAGNESIUM ION, ZINC ION
著者Zhou, T, Pyle, A.M.
登録日2017-07-06
公開日2017-11-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献NS3 from Hepatitis C Virus Strain JFH-1 Is an Unusually Robust Helicase That Is Primed To Bind and Unwind Viral RNA.
J. Virol., 92, 2018
2MBJ
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BU of 2mbj by Molmil
Structure of an antiparallel (2+2) G-quadruplex formed by human telomeric repeats in Na+ solution (with G22-to-BrG substitution)
分子名称: DNA_(27-MER)
著者Lim, K.W, Ng, V.C.M, Martin-Pintado, N, Heddi, B, Phan, A.T.
登録日2013-08-02
公開日2013-09-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the human telomere in Na+ solution: an antiparallel (2+2) G-quadruplex scaffold reveals additional diversity.
Nucleic Acids Res., 41, 2013
5WOR
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BU of 5wor by Molmil
Corkscrew assembly of SOD1 residues 28-38 with familial mutation G37R
分子名称: GLYCEROL, MALONATE ION, Superoxide dismutase [Cu-Zn]
著者Sangwan, S, Sawaya, M.R, Eisenberg, D.S.
登録日2017-08-02
公開日2018-05-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Atomic structures of corkscrew-forming segments of SOD1 reveal varied oligomer conformations.
Protein Sci., 27, 2018
5WBG
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BU of 5wbg by Molmil
Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz
分子名称: (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, 5-cyclohexylpentan-1-ol, ...
著者Shah, M.B, Halpert, J.R.
登録日2017-06-29
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Crystal Structure of CYP2B6 in Complex with an Efavirenz Analog.
Int J Mol Sci, 19, 2018
5WMJ
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BU of 5wmj by Molmil
KVWGSI segment from Superoxide Dismutase 1,residues 30-35
分子名称: Superoxide dismutase [Cu-Zn], trifluoroacetic acid
著者Sangwan, S, Sawaya, M, Eisenberg, D.
登録日2017-07-28
公開日2018-03-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Atomic structures of corkscrew-forming segments of SOD1 reveal varied oligomer conformations.
Protein Sci., 27, 2018
5WOG
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BU of 5wog by Molmil
Human Hemoglobin immersed in Liquid Oxygen for 1 minute
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Gumpper, R.H, Terrell, J.R, Luo, M.
登録日2017-08-02
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Hemoglobin crystals immersed in liquid oxygen reveal diffusion channels.
Biochem. Biophys. Res. Commun., 495, 2018
5WC9
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BU of 5wc9 by Molmil
Human Pit-1 and 4xCATT DNA complex
分子名称: DNA (5'-D(*CP*CP*AP*TP*TP*CP*AP*TP*TP*CP*AP*TP*TP*CP*AP*TP*TP*CP*GP*GP*A)-3'), DNA (5'-D(*CP*CP*GP*AP*AP*TP*GP*AP*AP*TP*GP*AP*AP*TP*GP*AP*AP*TP*GP*GP*T)-3'), Pituitary-specific positive transcription factor 1
著者Agarwal, S, Cho, T.Y.
登録日2017-06-29
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Biochemical and structural characterization of a novel cooperative binding mode by Pit-1 with CATT repeats in the macrophage migration inhibitory factor promoter.
Nucleic Acids Res., 46, 2018
2MUZ
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BU of 2muz by Molmil
ssNMR structure of a designed rocker protein
分子名称: designed rocker protein
著者Wang, T, Joh, N, Wu, Y, DeGrado, W.F, Hong, M.
登録日2014-09-18
公開日2014-12-24
最終更新日2015-01-14
実験手法SOLUTION NMR
主引用文献De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014

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