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7LCH
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BU of 7lch by Molmil
The mature Usutu SAAR-1776, Model B
分子名称: (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ...
著者Khare, B, Klose, T, Fang, Q, Kuhn, R.
登録日2021-01-11
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (2.35 Å)
主引用文献Structure of Usutu virus SAAR-1776 displays fusion loop asymmetry.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LCG
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BU of 7lcg by Molmil
The mature Usutu SAAR-1776, Model A
分子名称: (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ...
著者Khare, B, Klose, T, Fang, Q, Kuhn, R.
登録日2021-01-11
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (2.42 Å)
主引用文献Structure of Usutu virus SAAR-1776 displays fusion loop asymmetry.
Proc.Natl.Acad.Sci.USA, 118, 2021
3RBJ
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BU of 3rbj by Molmil
Crystal Structure of the lid-mutant of Streptococcus agalactiae Sortase C1
分子名称: Sortase family protein
著者Khare, B, Narayana, S.V.L.
登録日2011-03-29
公開日2011-09-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural differences between the Streptococcus agalactiae housekeeping and pilus-specific sortases: SrtA and SrtC1.
Plos One, 6, 2011
3RBK
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BU of 3rbk by Molmil
The Type II Crystal Structure of Streptococcus agalactiae Sortase C1
分子名称: SULFATE ION, Sortase family protein
著者Khare, B, Narayana, S.V.L.
登録日2011-03-29
公開日2011-09-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural differences between the Streptococcus agalactiae housekeeping and pilus-specific sortases: SrtA and SrtC1.
Plos One, 6, 2011
3TB7
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BU of 3tb7 by Molmil
The type I crystal structure of Streptococcus agalactiae sortase C1
分子名称: Sortase family protein
著者Khare, B.
登録日2011-08-05
公開日2011-10-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The Crystal Structure Analysis of Group B Streptococcus Sortase C1: A Model for the "Lid" Movement upon Substrate Binding.
J.Mol.Biol., 414, 2011
3TBE
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BU of 3tbe by Molmil
The crystal structure of the complex of Streptococcus agalactiae sortase C1 and MTSET
分子名称: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, CHLORIDE ION, SULFATE ION, ...
著者Khare, B.
登録日2011-08-05
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The Crystal Structure Analysis of Group B Streptococcus Sortase C1: A Model for the "Lid" Movement upon Substrate Binding.
J.Mol.Biol., 414, 2011
3RBI
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BU of 3rbi by Molmil
The Type III Crystal Structure of Streptococcus agalactiae Sortase C1
分子名称: SULFATE ION, Sortase family protein
著者Khare, B, Narayana, S.V.L.
登録日2011-03-29
公開日2011-09-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural differences between the Streptococcus agalactiae housekeeping and pilus-specific sortases: SrtA and SrtC1.
Plos One, 6, 2011
3RCC
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BU of 3rcc by Molmil
Crystal Structure of the Streptococcus agalactiae Sortase A
分子名称: Sortase SrtA, ZINC ION
著者Khare, B, Narayana, S.V.L.
登録日2011-03-30
公開日2011-09-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural differences between the Streptococcus agalactiae housekeeping and pilus-specific sortases: SrtA and SrtC1.
Plos One, 6, 2011
5V5H
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BU of 5v5h by Molmil
OTU protease of Crimean Congo Hemorrhagic Fever Virus bound to ubiquitin variant CC.2
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, RNA-directed RNA polymerase L, SODIUM ION, ...
著者Khare, B, Mark, B.L.
登録日2017-03-14
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Potent and selective inhibition of pathogenic viruses by engineered ubiquitin variants.
PLoS Pathog., 13, 2017
5V5G
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BU of 5v5g by Molmil
OTU protease of Crimean Congo Hemorrhagic Fever Virus bound to ubiquitin variant CC.4
分子名称: 1,2-ETHANEDIOL, RNA-directed RNA polymerase L, SODIUM ION, ...
著者Khare, B, Mark, B.L.
登録日2017-03-14
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Potent and selective inhibition of pathogenic viruses by engineered ubiquitin variants.
PLoS Pathog., 13, 2017
5V5I
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BU of 5v5i by Molmil
OTU protease of Crimean Congo Hemorrhagic Fever Virus bound to ubiquitin variant CC.1
分子名称: RNA-directed RNA polymerase L, Ubiquitin variant CC.1
著者Khare, B, Mark, B.L.
登録日2017-03-14
公開日2017-05-10
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献OTU protease of Crimean Congo Hemorrhagic Fever Virus bound to ubiquitin variant CC.1
To be published
1D9K
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BU of 1d9k by Molmil
CRYSTAL STRUCTURE OF COMPLEX BETWEEN D10 TCR AND PMHC I-AK/CA
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CONALBUMIN PEPTIDE, ...
著者Reinherz, E.L, Tan, K, Tang, L, Kern, P, Liu, J.-H, Xiong, Y, Hussey, R.E, Smolyar, A, Hare, B, Zhang, R, Joachimiak, A, Chang, H.-C, Wagner, G, Wang, J.-H.
登録日1999-10-28
公開日1999-12-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The crystal structure of a T cell receptor in complex with peptide and MHC class II.
Science, 286, 1999
1YI4
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BU of 1yi4 by Molmil
Structure of Pim-1 bound to adenosine
分子名称: ADENOSINE, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K.
登録日2005-01-11
公開日2005-01-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002.
J.Biol.Chem., 280, 2005
1YI3
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BU of 1yi3 by Molmil
Crystal Structure of Pim-1 bound to LY294002
分子名称: 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K.
登録日2005-01-11
公開日2005-01-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002.
J.Biol.Chem., 280, 2005
1YHS
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BU of 1yhs by Molmil
Crystal structure of Pim-1 bound to staurosporine
分子名称: Proto-oncogene serine/threonine-protein kinase Pim-1, STAUROSPORINE
著者Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K.
登録日2005-01-10
公開日2005-01-25
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002.
J.Biol.Chem., 280, 2005
1HBW
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BU of 1hbw by Molmil
Solution nmr structure of the dimerization domain of the yeast transcriptional activator Gal4 (residues 50-106)
分子名称: REGULATORY PROTEIN GAL4
著者Hidalgo, P, Ansari, A.Z, Schmidt, P, Hare, B, Simkovic, N, Farrell, S, Shin, E.J, Ptashne, M, Wagner, G.
登録日2001-04-20
公開日2001-05-10
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Recruitment of the Transcriptional Machinery Through Gal11P: Structure and Interactions of the GAL4 Dimerization Domain
Genes Dev., 15, 2001
6BXH
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BU of 6bxh by Molmil
Menin in complex with MI-853
分子名称: 1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, Menin, ...
著者Borkin, D, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J.
登録日2017-12-18
公開日2018-11-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.445 Å)
主引用文献Menin in complex with MI-853
To Be Published
6C3L
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BU of 6c3l by Molmil
Crystal structure of BCL6 BTB domain with compound 15f
分子名称: B-cell lymphoma 6 protein, N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
著者Linhares, B, Cheng, H, Cierpicki, T, Xue, F.
登録日2018-01-10
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.46092153 Å)
主引用文献Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
6C3N
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BU of 6c3n by Molmil
Crystal structure of BCL6 BTB domain in complex with compound 7CC5
分子名称: B-cell lymphoma 6 protein, N-(2-phenylethyl)-N'-pyridin-3-ylthiourea
著者Linhares, B, Cheng, H, Xue, F, Cierpicki, T.
登録日2018-01-10
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.53170586 Å)
主引用文献Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
6BXY
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BU of 6bxy by Molmil
Menin in complex with MI-1481
分子名称: 1,2-ETHANEDIOL, 4-methyl-1-{[(2S)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ...
著者Borkin, D, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J.
登録日2017-12-19
公開日2018-11-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction.
J.Med.Chem., 61, 2018
6BY8
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BU of 6by8 by Molmil
Menin in complex with MI-1482
分子名称: 1,2-ETHANEDIOL, 4-methyl-1-{[(2R)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ...
著者Borkin, T, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J.
登録日2017-12-20
公開日2018-11-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction.
J.Med.Chem., 61, 2018
8FMU
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BU of 8fmu by Molmil
Crystal structure of human Brachyury G177D variant in complex with SJF-4601
分子名称: N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide, T-box transcription factor T
著者Bebenek, A, Linhares, B, Jaime-Figueroa, S, Butrin, A, Crews, C.
登録日2022-12-24
公開日2024-02-28
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Development of a Small Molecule Downmodulator for the Transcription Factor Brachyury.
Angew.Chem.Int.Ed.Engl., 63, 2024
6POO
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BU of 6poo by Molmil
Novel structure of the N-terminal helical domain of BibA, a group B streptococcus immunogenic bacterial adhesin
分子名称: BibA
著者Manne, K, Narayana, S.V.
登録日2019-07-04
公開日2020-08-12
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Novel structure of the N-terminal helical domain of BibA, a group B streptococcus immunogenic bacterial adhesin.
Acta Crystallogr D Struct Biol, 76, 2020
5V6A
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BU of 5v6a by Molmil
Crystal structure of the Middle East respiratory syndrome coronavirus papain-like protease bound to ubiquitin variant ME.2
分子名称: CHLORIDE ION, CITRATE ANION, ME.2, ...
著者Bailey-Elkin, B.A, Mark, B.L.
登録日2017-03-16
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Potent and selective inhibition of pathogenic viruses by engineered ubiquitin variants.
PLoS Pathog., 13, 2017
5V69
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BU of 5v69 by Molmil
Crystal structure of the Middle East respiratory syndrome coronavirus papain-like protease bound to ubiquitin variant ME.4
分子名称: CHLORIDE ION, ME.4, MERS-CoV PLpro, ...
著者Bailey-Elkin, B.A, Mark, B.L.
登録日2017-03-16
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Potent and selective inhibition of pathogenic viruses by engineered ubiquitin variants.
PLoS Pathog., 13, 2017

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