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6P1V
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BU of 6p1v by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing undamaged template dG and bound incoming dCMPNPP
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
6P1M
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BU of 6p1m by Molmil
Binary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CARBON DIOXIDE, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
6P1Q
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BU of 6p1q by Molmil
Post-catalytic nicked complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and newly incorporated dCMP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*(8OG)P*TP*AP*CP*G)-3'), ...
Authors:Pedersen, L.C, Kaminski, A.M, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
6P1U
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BU of 6p1u by Molmil
Post-catalytic nicked complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and newly incorporated CMP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
6P1R
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BU of 6p1r by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and bound incoming AMPNPP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, CHLORIDE ION, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
6OKJ
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BU of 6okj by Molmil
Native ananain from Ananas comosus
Descriptor: Ananain
Authors:Yongqing, T, Wilmann, P.G, Pike, R.N, Wijeyewickrema, L.C.
Deposit date:2019-04-13
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Determination of the crystal structure and substrate specificity of ananain.
Biochimie, 166, 2019
4NKK
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BU of 4nkk by Molmil
Crystal structure of a multi-drug resistant clinical isolate-769 HIV-1 protease variant that is resistant to the dimerization inhibitory activity of TLF-PafF
Descriptor: HIV-1 protease
Authors:Yedidi, R.S, Proteasa, G, Kovari, L.C.
Deposit date:2013-11-12
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A multi-drug resistant HIV-1 protease is resistant to the dimerization inhibitory activity of TLF-PafF.
J.Mol.Graph.Model., 53C, 2014
4P09
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BU of 4p09 by Molmil
Crystal structure of HOIP PUB domain
Descriptor: E3 ubiquitin-protein ligase RNF31
Authors:Akutsu, M, Schaeffer, V, Olma, M.H, Gomes, L.C, Kawasaki, M, Dikic, I.
Deposit date:2014-02-20
Release date:2014-05-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding of OTULIN to the PUB domain of HOIP controls NF-kappa B signaling.
Mol.Cell, 54, 2014
4P0A
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BU of 4p0a by Molmil
Crystal structure of HOIP PUB domain in complex with p97 PIM
Descriptor: E3 ubiquitin-protein ligase RNF31, Transitional endoplasmic reticulum ATPase
Authors:Akutsu, M, Schaeffer, V, Olma, M.H, Gomes, L.C, Kawasaki, M, Dikic, I.
Deposit date:2014-02-20
Release date:2014-05-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3001 Å)
Cite:Binding of OTULIN to the PUB domain of HOIP controls NF-kappa B signaling.
Mol.Cell, 54, 2014
3PMN
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BU of 3pmn by Molmil
ternary crystal structure of polymerase lambda variant with a GT mispair at the primer terminus with Mn2+ in the active site
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine, 5'-D(*CP*AP*GP*TP*AP*G)-3', 5'-D(*CP*GP*GP*CP*CP*TP*TP*AP*CP*TP*G)-3', ...
Authors:Bebenek, K, Pedersen, L.C, Kunkel, T.A.
Deposit date:2010-11-17
Release date:2011-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Replication infidelity via a mismatch with Watson-Crick geometry.
Proc.Natl.Acad.Sci.USA, 108, 2011
4OUO
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BU of 4ouo by Molmil
anti-Bla g 1 scFv
Descriptor: CHLORIDE ION, SULFATE ION, anti Bla g 1 scFv
Authors:Mueller, G.A, Ankney, J.A, Glesner, J, Khurana, T, Edwards, L.L, Pedersen, L.C, Perera, L, Slater, J.E, Pomes, A, London, R.E.
Deposit date:2014-02-18
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of an anti-Bla g 1 scFv: Epitope mapping and cross-reactivity.
Mol.Immunol., 59, 2014
4P0B
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BU of 4p0b by Molmil
Crystal structure of HOIP PUB domain in complex with OTULIN PIM
Descriptor: E3 ubiquitin-protein ligase RNF31, Ubiquitin thioesterase otulin
Authors:Akutsu, M, Schaeffer, V, Olma, M.H, Gomes, L.C, Kawasaki, M, Dikic, I.
Deposit date:2014-02-20
Release date:2014-05-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7005 Å)
Cite:Binding of OTULIN to the PUB domain of HOIP controls NF-kappa B signaling.
Mol.Cell, 54, 2014
3QRK
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BU of 3qrk by Molmil
The crystal structure of human abl1 kinase domain in complex with DP-987
Descriptor: (3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, Tyrosine-protein kinase ABL1
Authors:Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
Deposit date:2011-02-18
Release date:2011-06-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
3R0W
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BU of 3r0w by Molmil
Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors.
Descriptor: Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
Authors:Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C.
Deposit date:2011-03-09
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
4QH0
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BU of 4qh0 by Molmil
Crystal structure of NucA from Streptococcus agalactiae with magnesium ion bound
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA-entry nuclease (Competence-specific nuclease), ...
Authors:Moon, A.F, Gaudu, P, Pedersen, L.C.
Deposit date:2014-05-26
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of the virulence factor nuclease A from Streptococcus agalactiae.
Acta Crystallogr.,Sect.D, 70, 2014
3PNC
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BU of 3pnc by Molmil
Ternary crystal structure of a polymerase lambda variant with a GT mispair at the primer terminus and sodium at catalytic metal site
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*CP*AP*GP*TP*AP*G)-3', ...
Authors:Bebenek, K, Pedersen, L.C, Kunkel, T.A.
Deposit date:2010-11-18
Release date:2011-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Replication infidelity via a mismatch with Watson-Crick geometry.
Proc.Natl.Acad.Sci.USA, 108, 2011
4Q5R
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BU of 4q5r by Molmil
Crystal Structure of Glutathione S-transferase Bla g 5
Descriptor: CHLORIDE ION, GLUTATHIONE, GLYCEROL, ...
Authors:Pedersen, L.C, Mueller, G.A.
Deposit date:2014-04-17
Release date:2015-04-01
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Crystal Structure of Glutathione S-transferase Bla g 5
To be Published
4Q5Q
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BU of 4q5q by Molmil
Crystal Structure of the Glutathione S-transferase Der p 8
Descriptor: GLUTATHIONE, Glutathione S-transferase
Authors:Pedersen, L.C, Mueller, G.A.
Deposit date:2014-04-17
Release date:2015-04-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.931 Å)
Cite:Crystal Structure of the Glutathione S-transferase Der p 8
To be Published
4Q5N
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BU of 4q5n by Molmil
Crystal structure of the gluthatione S-transferase Blo t 8
Descriptor: GLUTATHIONE, Gluthatione S-transferase Blo t 8 isoform
Authors:Pedersen, L.C, Mueller, G.A.
Deposit date:2014-04-17
Release date:2015-04-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of the gluthatione S-transferase Blo t 8
To be Published
3SO9
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BU of 3so9 by Molmil
Darunavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease
Authors:Wang, Y, Liu, Z, Brunzelle, S.J, Kovari, L.C, Kovari, I.A.
Deposit date:2011-06-30
Release date:2011-10-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:The higher barrier of darunavir and tipranavir resistance for HIV-1 protease.
Biochem.Biophys.Res.Commun., 412, 2011
3PJ6
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BU of 3pj6 by Molmil
Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants
Descriptor: HIV protease
Authors:Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C.
Deposit date:2010-11-08
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011
3R0Y
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BU of 3r0y by Molmil
Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors
Descriptor: Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
Authors:Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C.
Deposit date:2011-03-09
Release date:2012-04-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
3PML
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BU of 3pml by Molmil
crystal structure of a polymerase lambda variant with a dGTP analog opposite a templating T
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine, 5'-D(*CP*AP*GP*TP*AP*C)-3', 5'-D(*CP*GP*GP*CP*TP*GP*TP*AP*CP*TP*G)-3', ...
Authors:Bebenek, K, Pedersen, L.C, Kunkel, T.A.
Deposit date:2010-11-17
Release date:2011-01-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Replication infidelity via a mismatch with Watson-Crick geometry.
Proc.Natl.Acad.Sci.USA, 108, 2011
3QRI
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BU of 3qri by Molmil
The crystal structure of human abl1 kinase domain in complex with DCC-2036
Descriptor: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, SODIUM ION, Tyrosine-protein kinase ABL1
Authors:Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
Deposit date:2011-02-18
Release date:2011-06-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
3QRJ
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BU of 3qrj by Molmil
The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036
Descriptor: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, Tyrosine-protein kinase ABL1
Authors:Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
Deposit date:2011-02-18
Release date:2011-06-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011

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数据于2024-06-12公开中

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