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6DUJ
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BU of 6duj by Molmil
Crystal structure of A51V variant of Human Cytochrome c
Descriptor: Cytochrome c, HEME C
Authors:Lei, H, Bowler, B.E.
Deposit date:2018-06-20
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.82202721 Å)
Cite:Naturally Occurring A51V Variant of Human CytochromecDestabilizes the Native State and Enhances Peroxidase Activity.
J.Phys.Chem.B, 123, 2019
6XNK
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BU of 6xnk by Molmil
Crystal structure of dimeric K72A human cytochrome c alkaline conformer
Descriptor: Cytochrome c, HEME C
Authors:Lei, H, Bowler, B.E.
Deposit date:2020-07-03
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Alkaline State of the Domain-Swapped Dimer of Human Cytochrome c : A Conformational Switch for Apoptotic Peroxidase Activity.
J.Am.Chem.Soc., 2022
4PT5
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BU of 4pt5 by Molmil
Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus
Descriptor: Papain-like protease, ZINC ION
Authors:Lei, H, Santarsiero, B.D, Lee, H, Johnson, M.E.
Deposit date:2014-03-10
Release date:2014-05-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus
To be Published
4PSO
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BU of 4pso by Molmil
Crystal structure of apeThermo-DBP-RP2 bound to ssDNA dT10
Descriptor: PHOSPHATE ION, polydeoxyribonucleotide, ssDNA binding protein
Authors:Gahlei, H, von Moeller, H, Eppers, D, Loll, B, Wahl, M.C.
Deposit date:2014-03-07
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Entrapment of DNA in an intersubunit tunnel system of a single-stranded DNA-binding protein.
Nucleic Acids Res., 42, 2014
4PSM
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BU of 4psm by Molmil
Crystal structure of pfuThermo-DBP-RP1 (crystal form II)
Descriptor: SULFATE ION, ssDNA binding protein
Authors:Gahlei, H, von Moeller, H, Eppers, D, Loll, B, Wahl, M.C.
Deposit date:2014-03-07
Release date:2014-04-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Entrapment of DNA in an intersubunit tunnel system of a single-stranded DNA-binding protein.
Nucleic Acids Res., 42, 2014
4PSN
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BU of 4psn by Molmil
Crystal structure of apeThermo-DBP-RP2
Descriptor: GLYCEROL, IMIDAZOLE, ssDNA binding protein
Authors:Gahlei, H, von Moeller, H, Eppers, D, Loll, B, Wahl, M.C.
Deposit date:2014-03-07
Release date:2014-04-30
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Entrapment of DNA in an intersubunit tunnel system of a single-stranded DNA-binding protein.
Nucleic Acids Res., 42, 2014
4PSL
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BU of 4psl by Molmil
Crystal structure of pfuThermo-DBP-RP1 (crystal form I)
Descriptor: SULFATE ION, ssDNA binding protein
Authors:Gahlei, H, von Moeller, H, Eppers, D, Sohmen, D, Wilson, D.N, Loll, B, Wahl, M.C.
Deposit date:2014-03-07
Release date:2014-04-30
Last modified:2014-06-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Entrapment of DNA in an intersubunit tunnel system of a single-stranded DNA-binding protein.
Nucleic Acids Res., 42, 2014
7MRI
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BU of 7mri by Molmil
Crystal structure of N63T yeast iso-1-cytochrome c
Descriptor: Cytochrome c isoform 1, HEME C
Authors:Lei, H, Bowler, B.E, Evenson, G.E.
Deposit date:2021-05-07
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Effect on intrinsic peroxidase activity of substituting coevolved residues from Omega-loop C of human cytochrome c into yeast iso-1-cytochrome c.
J.Inorg.Biochem., 232, 2022
4YIW
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BU of 4yiw by Molmil
DIHYDROOROTASE FROM BACILLUS ANTHRACIS WITH SUBSTRATE BOUND
Descriptor: Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ZINC ION
Authors:Lei, H, Santarsiero, B.D, Rice, A.J, Lee, H, Johnson, M.E.
Deposit date:2015-03-02
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Ca-asp bound X-ray structure and inhibition of Bacillus anthracis dihydroorotase (DHOase).
Bioorg.Med.Chem., 24, 2016
4RNA
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BU of 4rna by Molmil
Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus
Descriptor: PHOSPHATE ION, ZINC ION, papain-like protease
Authors:Lei, H, Santarsiero, B.D, Lee, H, Johnson, M.E.
Deposit date:2014-10-23
Release date:2015-03-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Inhibitor Recognition Specificity of MERS-CoV Papain-like Protease May Differ from That of SARS-CoV.
Acs Chem.Biol., 10, 2015
8ENU
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BU of 8enu by Molmil
Structure of the C3bB proconvertase in complex with lufaxin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ...
Authors:Andersen, J.F, Lei, H.
Deposit date:2022-09-30
Release date:2023-08-09
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:A bispecific inhibitor of complement and coagulation blocks activation in complementopathy models via a novel mechanism.
Blood, 141, 2023
8EOK
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BU of 8eok by Molmil
Structure of the C3bB proconvertase in complex with lufaxin and factor Xa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Activated factor Xa heavy chain, Complement C3 beta chain, ...
Authors:Andersen, J.F, Lei, H.
Deposit date:2022-10-03
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:A bispecific inhibitor of complement and coagulation blocks activation in complementopathy models via a novel mechanism.
Blood, 141, 2023
8UIN
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BU of 8uin by Molmil
Structure of the C3bBb-albicin complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Albicin, ...
Authors:Andersen, J.F, Lei, H.
Deposit date:2023-10-10
Release date:2024-05-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Mechanism of complement inhibition by a mosquito protein revealed through cryo-EM.
Commun Biol, 7, 2024
8UH2
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BU of 8uh2 by Molmil
Complex of C3b with the inhibitor albicin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Albicin, Complement C3 beta chain, ...
Authors:Andersen, J.F, Lei, H, Strayer, E, Ribeiro, J.M.
Deposit date:2023-10-06
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:The mechanism of a mosquito salivary inhibitor of the alternative C3 convertase is elucidated through structural analysis of its complex with C3bBb
To Be Published
5TY3
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BU of 5ty3 by Molmil
Crystal structure of K72A variant of Human Cytochrome c
Descriptor: Cytochrome c, HEME C, SULFATE ION
Authors:Mou, T.C, Nold, S.M, Lei, H, Sprang, S.R, Bowler, B.E.
Deposit date:2016-11-18
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Effect of a K72A Mutation on the Structure, Stability, Dynamics, and Peroxidase Activity of Human Cytochrome c.
Biochemistry, 56, 2017
3ETA
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BU of 3eta by Molmil
Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor
Descriptor: 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea, insulin receptor, kinase domain
Authors:Patnaik, S, Stevens, K, Gerding, R, Deanda, F, Shotwell, B, Tang, J, Hamajima, T, Nakamura, H, Leesnitzer, A, Hassell, A, Shewchuk, L, Kumar, R, Lei, H, Chamberlain, S.
Deposit date:2008-10-07
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase.
Bioorg.Med.Chem.Lett., 19, 2009
3EKN
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BU of 3ekn by Molmil
Insulin receptor kinase complexed with an inhibitor
Descriptor: 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Insulin receptor
Authors:Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L.
Deposit date:2008-09-19
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity.
Bioorg.Med.Chem.Lett., 19, 2009
3EKK
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BU of 3ekk by Molmil
Insulin receptor kinase complexed with an inhibitor
Descriptor: 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide, Insulin receptor
Authors:Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Sabbatini, P, Shewchuk, L.
Deposit date:2008-09-19
Release date:2008-12-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: Potent inhibitors of the IGF-1R receptor tyrosine kinase.
Bioorg.Med.Chem.Lett., 19, 2009
3ELJ
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BU of 3elj by Molmil
Jnk1 complexed with a bis-anilino-pyrrolopyrimidine inhibitor.
Descriptor: 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Mitogen-activated protein kinase 8
Authors:Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L, Vicentini, G, Mosley, J.
Deposit date:2008-09-22
Release date:2008-12-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity.
Bioorg.Med.Chem.Lett., 19, 2009
3H98
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BU of 3h98 by Molmil
Crystal structure of HCV NS5b 1b with (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyrimidine derivative
Descriptor: GLYCEROL, N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
Authors:Wang, G, Lei, H, Wang, X, Das, D, Mackinnon, C, Montalbetti, C.A.G, Mears, R, Gai, X, Bailey, S, Ruhrmund, D, Hooi, L, Misialek, S, Rajagopalan, R, Cheng, R.K.Y, Barker, J.L, Felicetti, B, Stoycheva, A, Buckman, B, Kossen, K, Seiwert, S, Beigelmana, L.
Deposit date:2009-04-30
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives.
Bioorg.Med.Chem.Lett., 19, 2009
6OIG
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BU of 6oig by Molmil
Subunit joining exposes nascent pre-40S rRNA for processing and quality control
Descriptor: 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Rai, J, Parker, M.D, Ghalei, H, Johnson, M.C, Karbstein, K, Stroupe, M.E.
Deposit date:2019-04-09
Release date:2020-09-30
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:An open interface in the pre-80S ribosome coordinated by ribosome assembly factors Tsr1 and Dim1 enables temporal regulation of Fap7.
Rna, 27, 2021
6WDR
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BU of 6wdr by Molmil
Subunit joining exposes nascent pre-40S rRNA for processing and quality control
Descriptor: 20S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S10-A, ...
Authors:Rai, J, Parker, M.D, Huang, H, Choy, S, Ghalei, H, Johnson, M.C, Karbstein, K, Stroupe, M.E.
Deposit date:2020-04-01
Release date:2020-09-30
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:An open interface in the pre-80S ribosome coordinated by ribosome assembly factors Tsr1 and Dim1 enables temporal regulation of Fap7.
Rna, 27, 2021
1ZW6
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BU of 1zw6 by Molmil
Crystal Structure of the GTP-bound form of RasQ61G
Descriptor: CALCIUM ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Ford, B, Hornak, V, Kleinman, H, Nassar, N.
Deposit date:2005-06-03
Release date:2006-03-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a transient intermediate for GTP hydrolysis by ras.
Structure, 14, 2006
3SIU
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BU of 3siu by Molmil
Structure of a hPrp31-15.5K-U4atac 5' stem loop complex, monomeric form
Descriptor: NHP2-like protein 1, SULFATE ION, U4/U6 small nuclear ribonucleoprotein Prp31, ...
Authors:Liu, S, Ghalei, H, Luhrmann, R, Wahl, M.C.
Deposit date:2011-06-20
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.626 Å)
Cite:Structural basis for the dual U4 and U4atac snRNA-binding specificity of spliceosomal protein hPrp31.
Rna, 17, 2011
3SIV
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BU of 3siv by Molmil
Structure of a hPrp31-15.5K-U4atac 5' stem loop complex, dimeric form
Descriptor: NHP2-like protein 1, U4/U6 small nuclear ribonucleoprotein Prp31, U4atac snRNA
Authors:Liu, S, Ghalei, H, Luhrmann, R, Wahl, M.C.
Deposit date:2011-06-20
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.304 Å)
Cite:Structural basis for the dual U4 and U4atac snRNA-binding specificity of spliceosomal protein hPrp31.
Rna, 17, 2011

 

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