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3MTN
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BU of 3mtn by Molmil
Usp21 in complex with a ubiquitin-based, USP21-specific inhibitor
分子名称: CHLORIDE ION, GLYCEROL, UBIQUITIN VARIANT UBV.21.4, ...
著者Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2010-04-30
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
3J4B
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BU of 3j4b by Molmil
Structure of T7 gatekeeper protein (gp11)
分子名称: Tail tubular protein A
著者Cuervo, A, Pulido-Cid, M, Chagoyen, M, Arranz, R, Gonzalez-Garcia, V.A, Garcia-Doval, C, Caston, J.R, Valpuesta, J.M, van Raaij, M.J, Martin-Benito, J, Carrascosa, J.L.
登録日2013-07-09
公開日2013-08-07
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (12 Å)
主引用文献Structural characterization of the bacteriophage t7 tail machinery.
J.Biol.Chem., 288, 2013
3JA6
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BU of 3ja6 by Molmil
Cryo-electron Tomography and All-atom Molecular Dynamics Simulations Reveal a Novel Kinase Conformational Switch in Bacterial Chemotaxis Signaling
分子名称: Chemotaxis protein CheA, Chemotaxis protein CheW, Methyl-accepting chemotaxis protein 2
著者Cassidy, C.K, Himes, B.A, Alvarez, F.J, Ma, J, Zhao, G, Perilla, J.R, Schulten, K, Zhang, P.
登録日2015-04-21
公開日2015-12-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (12.7 Å)
主引用文献CryoEM and computer simulations reveal a novel kinase conformational switch in bacterial chemotaxis signaling.
Elife, 4, 2015
3MK9
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BU of 3mk9 by Molmil
Stabilized Ricin Immunogen 1-33/44-198
分子名称: Ricin, SULFATE ION
著者Legler, P.M, Compton, J.R, Millard, C.B.
登録日2010-04-14
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Introduction of a disulfide bond leads to stabilization and crystallization of a ricin immunogen.
Proteins, 79, 2011
5DJA
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BU of 5dja by Molmil
Fc Heterodimer Design 9.1 Y407M + T366I
分子名称: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
登録日2015-09-01
公開日2016-03-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
3KTF
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BU of 3ktf by Molmil
Structure of the N-terminal BRCT domain of human microcephalin (MCPH1).
分子名称: CHLORIDE ION, Microcephalin
著者Singh, N, Heroux, A, Thompson, J.R, Mer, G.
登録日2009-11-25
公開日2009-12-15
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of N-terminal BRCT domain of human microcephalin (MCPH1)
To be Published
3KV9
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BU of 3kv9 by Molmil
Structure of KIAA1718 Jumonji domain
分子名称: FE (II) ION, JmjC domain-containing histone demethylation protein 1D, OXYGEN MOLECULE
著者Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
登録日2009-11-29
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
5DI8
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BU of 5di8 by Molmil
Fc Knob-Hole Heterodimer T366W + T366S/L368A/Y407V
分子名称: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B.
登録日2015-08-31
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJ0
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BU of 5dj0 by Molmil
Fc Heterodimer Design 11.2 Y349S/K370Y + E357D/S364Q
分子名称: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
登録日2015-09-01
公開日2016-03-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
3KUL
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BU of 3kul by Molmil
Kinase domain of human ephrin type-A receptor 8 (EPHA8)
分子名称: BETA-MERCAPTOETHANOL, Ephrin type-A receptor 8, GLYCEROL, ...
著者Walker, J.R, Yermekbayeva, L, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2009-11-27
公開日2009-12-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Kinase Domain of Human Ephrin Type-A Receptor 8 (Epha8)
To be Published
3L1Z
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BU of 3l1z by Molmil
Crystal structure of the U-BOX domain of human E4B ubiquitin ligase in complex with UBCH5C E2 ubiquitin conjugating enzyme
分子名称: Ubiquitin conjugation factor E4 B, Ubiquitin-conjugating enzyme E2 D3
著者Benirschke, R, Thompson, J.R, Mer, G.
登録日2009-12-14
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Molecular Basis for the Association of Human E4B U Box Ubiquitin Ligase with E2-Conjugating Enzymes UbcH5c and Ubc4.
Structure, 18, 2010
3PD7
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BU of 3pd7 by Molmil
Crystal Structure of the Sixth BRCT Domain of Human TopBP1
分子名称: DNA topoisomerase 2-binding protein 1
著者Lee, J, Xu, C, Cui, G, Thompson, J.R, Mer, G.
登録日2010-10-22
公開日2010-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Crystal Structure of the Sixth BRCT Domain of Human TopBP1
To be Published
3IZG
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BU of 3izg by Molmil
Bacteriophage T7 prohead shell EM-derived atomic model
分子名称: Major capsid protein 10A
著者Ionel, A, Velazquez-Muriel, J.A, Agirrezabala, X, Luque, D, Cuervo, A, Caston, J.R, Valpuesta, J.M, Martin-Benito, J, Carrascosa, J.L.
登録日2010-10-27
公開日2010-11-17
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (10.9 Å)
主引用文献Molecular rearrangements involved in the capsid shell maturation of bacteriophage T7.
J.Biol.Chem., 286, 2011
3MX0
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BU of 3mx0 by Molmil
Crystal Structure of EphA2 ectodomain in complex with ephrin-A5
分子名称: 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 type-A receptor 2, ...
著者Himanen, J.P, Yermekbayeva, L, Janes, P.W, Walker, J.R, Xu, K, Atapattu, L, Rajashankar, K.R, Mensinga, A, Lackmann, M, Nikolov, D.B, Dhe-Paganon, S.
登録日2010-05-06
公開日2010-06-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.506 Å)
主引用文献Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
5DJ2
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BU of 5dj2 by Molmil
Fc Heterodimer Design 7.4 Y407A + T366V/K409V
分子名称: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B.
登録日2015-09-01
公開日2016-03-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJD
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BU of 5djd by Molmil
Fc Heterodimer Design 5.1 T366V + Y407F
分子名称: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
登録日2015-09-02
公開日2016-03-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5CTA
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BU of 5cta by Molmil
G158E/K44E/R57E/Y49E Bacillus subtilis lipase A with 10% [BMIM][Cl]
分子名称: 1-butyl-3-methyl-1H-imidazol-3-ium, CHLORIDE ION, Esterase
著者Nordwald, E.M, Plaks, J.G, Snell, J.R, Sousa, M.C, Kaar, J.L.
登録日2015-07-23
公開日2015-11-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure.
Chembiochem, 16, 2015
3MZK
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BU of 3mzk by Molmil
Sec13/Sec16 complex, S.cerevisiae
分子名称: Protein transport protein SEC13, Protein transport protein SEC16
著者Whittle, J.R, Schwartz, T.U.
登録日2010-05-12
公開日2010-08-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structure of the Sec13-Sec16 edge element, a template for assembly of the COPII vesicle coat.
J.Cell Biol., 190, 2010
3J34
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BU of 3j34 by Molmil
Structure of HIV-1 Capsid Protein by Cryo-EM
分子名称: capsid protein
著者Zhao, G, Perilla, J.R, Yufenyuy, E, Meng, X, Chen, B, Ning, J, Ahn, J, Gronenborn, A.M, Schulten, K, Aiken, C, Zhang, P.
登録日2013-02-23
公開日2013-05-29
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (8.6 Å)
主引用文献Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013
5DDK
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BU of 5ddk by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6-N347A) in complex with CoA
分子名称: Acetyl-CoA hydrolase, CHLORIDE ION, COENZYME A, ...
著者Kappock, T.J, Mullins, E.A, Murphy, J.R.
登録日2015-08-25
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.127 Å)
主引用文献Functional Dissection of the Bipartite Active Site of the Class I Coenzyme A (CoA)-Transferase Succinyl-CoA:Acetate CoA-Transferase.
Front Chem, 4, 2016
3J3I
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BU of 3j3i by Molmil
Penicillium chrysogenum virus (PcV) capsid structure
分子名称: Capsid protein
著者Luque, D, Gomez-Blanco, J, Garriga, D, Brilot, A, Gonzalez, J.M, Havens, W.H, Carrascosa, J.L, Trus, B.L, Verdaguer, N, Grigorieff, N, Ghabrial, S.A, Caston, J.R.
登録日2013-03-08
公開日2014-05-14
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM near-atomic structure of a dsRNA fungal virus shows ancient structural motifs preserved in the dsRNA viral lineage.
Proc.Natl.Acad.Sci.USA, 111, 2014
5DBL
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BU of 5dbl by Molmil
Crystal structure of the Staphylococcus aureus SasG E1-G52 Y625W mutant
分子名称: Surface protein G
著者Whelan, F, Potts, J.R.
登録日2015-08-21
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Disorder drives cooperative folding in a multidomain protein.
Proc.Natl.Acad.Sci.USA, 113, 2016
3HV4
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BU of 3hv4 by Molmil
Human p38 MAP Kinase in Complex with RL51
分子名称: 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ...
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-06-15
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
5CXQ
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BU of 5cxq by Molmil
Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase from Schistosoma mansoni in APO form
分子名称: Purine nucleoside phosphorylase
著者Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M.
登録日2015-07-29
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
3J47
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Formation of an intricate helical bundle dictates the assembly of the 26S proteasome lid
分子名称: 26S proteasome regulatory subunit RPN11, 26S proteasome regulatory subunit RPN12, 26S proteasome regulatory subunit RPN3, ...
著者Estrin, E, Lopez-Blanco, J.R, Chacon, P, Martin, A.
登録日2013-06-27
公開日2013-08-28
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (7.4 Å)
主引用文献Formation of an Intricate Helical Bundle Dictates the Assembly of the 26S Proteasome Lid.
Structure, 21, 2013

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