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2QHZ
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Crystal structure of protease inhibitor, MIT-1-AC87 in complex with wild type HIV-1 protease
分子名称: (2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QHY
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BU of 2qhy by Molmil
Crystal Structure of protease inhibitor, MIT-1-AC86 in complex with wild type HIV-1 protease
分子名称: ACETATE ION, N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-L-ALANINAMIDE, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QI0
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BU of 2qi0 by Molmil
Crystal structure of protease inhibitor, MIT-1-KK80 in complex with wild type HIV-1 protease
分子名称: N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-2-METHYLBENZAMIDE, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
5EM1
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BU of 5em1 by Molmil
Crystal structure of ragweed allergen Amb a 8
分子名称: BENZOIC ACID, CHLORIDE ION, Profilin
著者Offermann, L.R, He, J.Z, Perdue, M.L, Chruszcz, M.
登録日2015-11-05
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural, Functional, and Immunological Characterization of Profilin Panallergens Amb a 8, Art v 4, and Bet v 2.
J.Biol.Chem., 291, 2016
5EVE
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BU of 5eve by Molmil
Crystal structure of Amb a 8 in complex with poly-Pro10
分子名称: Poly-Proline peptide, Profilin
著者Offermann, L.R, Schlachter, C.R, Garrett, J, Chruszcz, M.
登録日2015-11-19
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural, Functional, and Immunological Characterization of Profilin Panallergens Amb a 8, Art v 4, and Bet v 2.
J.Biol.Chem., 291, 2016
2MM0
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BU of 2mm0 by Molmil
Solution Structures of active Ptr ToxB and its inactive homolog highlight protein dynamics as a modulator of toxin activity
分子名称: Host-selective toxin protein
著者Nyarko, A, Singarapu, K, Figueroa, M, Manning, V, Pandelova, I, Wolpert, T, Ciuffetti, L, Barbar, E.
登録日2014-03-06
公開日2014-08-06
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution NMR Structures of Pyrenophora tritici-repentis ToxB and Its Inactive Homolog Reveal Potential Determinants of Toxin Activity.
J.Biol.Chem., 289, 2014
5FUA
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BU of 5fua by Molmil
Cryo-EM of BK polyomavirus
分子名称: MAJOR CAPSID PROTEIN VP1
著者Hurdiss, D.L, Morgan, E.L, Thompson, R.F, Prescott, E.L, Panou, M.M, Macdonald, A, Ranson, N.A.
登録日2016-01-22
公開日2016-04-20
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献New Structural Insights Into the Genome and Minor Capsid Proteins of Bk Polyomavirus Using Cryo-Electron Microscopy.
Structure, 24, 2016
5FRR
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BU of 5frr by Molmil
Structure of the Pds5-Scc1 complex and implications for cohesin function
分子名称: SISTER CHROMATID COHESION PROTEIN PDS5
著者Muir, K.W, Kschonsak, M, Li, Y, Metz, J, Haering, C.H, Panne, D.
登録日2015-12-22
公開日2016-03-02
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (5.8 Å)
主引用文献Structure of the Pds5-Scc1 Complex and Implications for Cohesin Function
Cell Rep., 14, 2016
3WHW
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BU of 3whw by Molmil
MTH1 in complex with Ruthenium-based inhibitor
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, [4-amino-2-methyl-6-(pyridin-2-yl-kappaN)quinazolin-7-yl-kappaC~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium
著者Streib, M, Kraeling, K, Richter, K, Steuber, H, Meggers, E.
登録日2013-09-03
公開日2014-02-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献An Organometallic Inhibitor for the Human Repair Enzyme 7,8-Dihydro-8-oxoguanosine Triphosphatase.
Angew.Chem.Int.Ed.Engl., 53, 2014
5G2E
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BU of 5g2e by Molmil
Structure of the Nap1 H2A H2B complex
分子名称: HISTONE H2A TYPE 1, HISTONE H2B 1.1, NUCLEOSOME ASSEMBLY PROTEIN
著者AguilarGurrieri, C, Larabi, A, Vinayachandran, V, Patel, N.A, Yen, K, Reja, R, Ebong, I.O, Schoehn, G, Robinson, C.V, Pugh, B.F, Panne, D.
登録日2016-04-07
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (6.7 Å)
主引用文献Structural Evidence for Nap1-Dependent H2A-H2B Deposition and Nucleosome Assembly.
Embo J., 35, 2016
5G1S
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BU of 5g1s by Molmil
Open conformation of Francisella tularensis ClpP at 1.7 A
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Diaz-Saez, L, Pankov, G, Hunter, W.N.
登録日2016-03-30
公開日2016-10-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Open and compressed conformations of Francisella tularensis ClpP.
Proteins, 85, 2017
5GMU
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BU of 5gmu by Molmil
Crystal structure of chorismate mutase like domain of bifunctional DAHP synthase of Bacillus subtilis in complex with Chlorogenic acid
分子名称: (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid, Protein AroA(G), SULFATE ION
著者Pratap, S, Dev, A, Sharma, V, Yadav, R, Narwal, M, Tomar, S, Kumar, P.
登録日2016-07-16
公開日2017-07-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of Chorismate Mutase-like Domain of DAHPS from Bacillus subtilis Complexed with Novel Inhibitor Reveals Conformational Plasticity of Active Site.
Sci Rep, 7, 2017
2MUQ
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BU of 2muq by Molmil
Solution Structure of the Human FAAP20 UBZ
分子名称: Fanconi anemia-associated protein of 20 kDa, ZINC ION
著者Wojtaszek, J.L, Wang, S, Zhou, P.
登録日2014-09-16
公開日2014-12-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ubiquitin recognition by FAAP20 expands the complex interface beyond the canonical UBZ domain.
Nucleic Acids Res., 42, 2014
2MZC
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BU of 2mzc by Molmil
Metal Binding of Glutaredoxins
分子名称: Glutaredoxin, SILVER ION
著者Bilinovich, S.M, Caporoso, J.A, Taraboletti, A, Duangjumpa, N, Panzner, M.J, Prokop, J.W, Shriver, L.P, Leeper, T.C.
登録日2015-02-11
公開日2016-04-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Metal Binding of Glutaredoxins
To be Published
5G64
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BU of 5g64 by Molmil
The complex between human IgE-Fc and two anti-IgE Fab fragments
分子名称: FAB FRAGMENT, IG EPSILON CHAIN C REGION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Davies, A.M, Allan, E.G, Keeble, A.H, Delgado, J, Cossins, B.P, Mitropoulou, A.N, Pang, M.O.Y, Ceska, T, Beavil, A.J, Craggs, G, Westwood, M, Henry, A.J, McDonnell, J.M, Sutton, B.J.
登録日2016-06-14
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.715 Å)
主引用文献Allosteric mechanism of action of the therapeutic anti-IgE antibody omalizumab.
J. Biol. Chem., 292, 2017
5NYW
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BU of 5nyw by Molmil
Anbu (ancestral beta-subunit) from Yersinia bercovieri
分子名称: 1,2-ETHANEDIOL, AZIDE ION, CHLORIDE ION, ...
著者Piasecka, A, Czapinska, H, Vielberg, M, Szczepanowski, R.H, Reed, S, Groll, M, Bochtler, M.
登録日2017-05-12
公開日2017-05-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献The Y. bercovieri Anbu crystal structure sheds light on the evolution of highly (pseudo)symmetric multimers.
J. Mol. Biol., 430, 2018
2MUR
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BU of 2mur by Molmil
Solution Structure of the Human FAAP20 UBZ-Ubiquitin Complex
分子名称: Fanconi anemia-associated protein of 20 kDa, Ubiquitin, ZINC ION
著者Wang, S, Wojtaszek, J.L, Zhou, P.
登録日2014-09-16
公開日2014-12-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ubiquitin recognition by FAAP20 expands the complex interface beyond the canonical UBZ domain.
Nucleic Acids Res., 42, 2014
4NCI
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BU of 4nci by Molmil
Crystal Structure of Pyrococcus furiosis Rad50 R805E mutation
分子名称: DNA double-strand break repair Rad50 ATPase
著者Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S.
登録日2013-10-24
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling.
Embo J., 33, 2014
4NCJ
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BU of 4ncj by Molmil
Crystal Structure of Pyrococcus furiosis Rad50 R805E mutation with ADP Beryllium Flouride
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA double-strand break repair Rad50 ATPase, ...
著者Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S.
登録日2013-10-24
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling.
Embo J., 33, 2014
4DZY
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BU of 4dzy by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with ADP
分子名称: (S)-2-chloro-3-phenylpropanoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2012-03-01
公開日2013-03-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
2OAA
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BU of 2oaa by Molmil
Restriction endonuclease MvaI-cognate DNA substrate complex
分子名称: 5'-D(*CP*AP*TP*CP*CP*AP*GP*GP*TP*AP*C)-3', 5'-D(*GP*GP*TP*AP*CP*CP*TP*GP*GP*AP*T)-3', CALCIUM ION, ...
著者Kaus-Drobek, M, Czapinska, H, Sokolowska, M, Tamulaitis, G, Szczepanowski, R.H, Urbanke, K, Siksnys, V, Bochtler, M.
登録日2006-12-15
公開日2007-02-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Restriction endonuclease MvaI is a monomer that recognizes its target sequence asymmetrically.
Nucleic Acids Res., 35, 2007
5FIS
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Exonuclease domain-containing 1 (Exd1) in the Gd bound conformation
分子名称: EXD1, GADOLINIUM ATOM
著者Yang, Z, Chen, K.M, Pandey, R.R, Homolka, D, Reuter, M, Rodino Janeiro, B.K, Sachidanandam, R, Fauvarque, M.O, McCarthy, A.A, Pillai, R.S.
登録日2015-10-02
公開日2015-12-23
最終更新日2016-01-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Piwi Slicing and Exd1 Drive Biogenesis of Nuclear Pirnas from Cytosolic Targets of the Mouse Pirna Pathway
Mol.Cell, 61, 2016
4NCK
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BU of 4nck by Molmil
Crystal Structure of Pyrococcus furiosis Rad50 R797G mutation
分子名称: CHLORIDE ION, DNA double-strand break repair Rad50 ATPase, MAGNESIUM ION, ...
著者Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S.
登録日2013-10-24
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling.
Embo J., 33, 2014
4NCH
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BU of 4nch by Molmil
Crystal Structure of Pyrococcus furiosis Rad50 L802W mutation
分子名称: DNA double-strand break repair Rad50 ATPase, SULFATE ION
著者Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S.
登録日2013-10-24
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling.
Embo J., 33, 2014
2NYX
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Crystal structure of RV1404 from Mycobacterium tuberculosis
分子名称: Probable transcriptional regulatory protein, Rv1404
著者Yu, M, Bursey, E.H, Radhakannan, R, Kim, C.-Y, Kaviratne, T, Woodruff, T, Segelke, B.W, Lekin, T, Toppani, D, Terwilliger, T.C, Hung, L.-W, TB Structural Genomics Consortium (TBSGC), Integrated Center for Structure and Function Innovation (ISFI)
登録日2006-11-21
公開日2006-12-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of RV1404 from Mycobacterium tuberculosis
To be Published

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件を2024-07-17に公開中

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