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PDB: 225 件

6WK7
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BU of 6wk7 by Molmil
Crystal Structure Analysis of a poly(thymine) DNA duplex
分子名称: 1,3,5-triazine-2,4,6-triamine, DNA (5'-D(*TP*TP*TP*TP*TP*T)-3')
著者Li, Q, Zhao, J, Liu, L, Mandal, S, Rizzuto, F.J, He, H, Wei, S, Jonchhe, S, Sleiman, H.F, Mao, H, Mao, C.
登録日2020-04-15
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.423 Å)
主引用文献A poly(thymine)-melamine duplex for the assembly of DNA nanomaterials.
Nat Mater, 19, 2020
6WDR
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BU of 6wdr by Molmil
Subunit joining exposes nascent pre-40S rRNA for processing and quality control
分子名称: 20S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S10-A, ...
著者Rai, J, Parker, M.D, Huang, H, Choy, S, Ghalei, H, Johnson, M.C, Karbstein, K, Stroupe, M.E.
登録日2020-04-01
公開日2020-09-30
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献An open interface in the pre-80S ribosome coordinated by ribosome assembly factors Tsr1 and Dim1 enables temporal regulation of Fap7.
Rna, 27, 2021
1O7D
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The structure of the bovine lysosomal a-mannosidase suggests a novel mechanism for low pH activation
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Heikinheimo, P, Helland, R, Leiros, H.S, Leiros, I, Karlsen, S, Evjen, G, Ravelli, R, Schoehn, G, Ruigrok, R, Tollersrud, O.-K, Mcsweeney, S, Hough, E.
登録日2002-10-30
公開日2003-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Structure of Bovine Lysosomal Alpha-Mannosidase Suggests a Novel Mechanism for Low-Ph Activation
J.Mol.Biol., 327, 2003
2BHZ
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BU of 2bhz by Molmil
Crystal structure of Deinococcus radiodurans maltooligosyltrehalose trehalohydrolase in complex with maltose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ...
著者Timmins, J, Leiros, H.-K.S, Leonard, G, Leiros, I, McSweeney, S.
登録日2005-01-20
公開日2005-03-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal Structure of Maltooligosyltrehalose Trehalohydrolase from Deinococcus Radiodurans in Complex with Disaccharides
J.Mol.Biol., 347, 2005
6OIG
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Subunit joining exposes nascent pre-40S rRNA for processing and quality control
分子名称: 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
著者Rai, J, Parker, M.D, Ghalei, H, Johnson, M.C, Karbstein, K, Stroupe, M.E.
登録日2019-04-09
公開日2020-09-30
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献An open interface in the pre-80S ribosome coordinated by ribosome assembly factors Tsr1 and Dim1 enables temporal regulation of Fap7.
Rna, 27, 2021
2WHZ
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BU of 2whz by Molmil
Dipeptide Inhibitors of Thermolysin
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, ISOLEUCINE, ...
著者Lund, B.A, Leiros, I, Leiros, H.-K.S.
登録日2009-05-07
公開日2010-05-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Dipeptide Inhibitors of Thermolysin
To be Published
2BHY
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BU of 2bhy by Molmil
Crystal structure of Deinococcus radiodurans maltooligosyltrehalose trehalohydrolase in complex with trehalose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ...
著者Timmins, J, Leiros, H.-K.S, Leonard, G, Leiros, I, McSweeney, S.
登録日2005-01-20
公開日2005-03-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Maltooligosyltrehalose Trehalohydrolase from Deinococcus Radiodurans in Complex with Disaccharides
J.Mol.Biol., 347, 2005
2WI0
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BU of 2wi0 by Molmil
Dipeptide Inhibitors of Thermolysin
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, LEUCINE, ...
著者Lund, B.A, Leiros, I, Leiros, H.-K.S.
登録日2009-05-07
公開日2010-05-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Dipeptide Inhibitors of Thermolysin
To be Published
2Y87
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BU of 2y87 by Molmil
Native VIM-7. Structural and computational investigations of VIM-7: Insights into the substrate specificity of VIM metallo-beta- lactamases
分子名称: MAGNESIUM ION, METALLO-B-LACTAMASE, UNKNOWN ATOM OR ION, ...
著者Saradhi, P, Leiros, H.-K.S, Ahmad, R, Spencer, J, Leiros, I, Walsh, T.R, Sundsfjord, A, Samuelsen, O.
登録日2011-02-03
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and Computational Investigations of Vim- 7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases
J.Mol.Biol., 411, 2011
7ODA
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BU of 7oda by Molmil
OXA-48-like Beta-lactamase OXA-436
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION
著者Lund, B.A, Thomassen, A.M, Carlsen, T.J.W, Leiros, H.K.S.
登録日2021-04-29
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Biochemical and biophysical characterization of the OXA-48-like carbapenemase OXA-436.
Acta Crystallogr.,Sect.F, 77, 2021
2Y8A
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BU of 2y8a by Molmil
VIM-7 with Oxidised. Structural and computational investigations of VIM-7: Insights into the substrate specificity of VIM metallo-beta- lactamases
分子名称: MAGNESIUM ION, METALLO-B-LACTAMASE, UNKNOWN ATOM OR ION, ...
著者Saradhi, P, Leiros, H.-K.S, Ahmad, R, Spencer, J, Leiros, I, Walsh, T.R, Sundsfjord, A, Samuelsen, O.
登録日2011-02-03
公開日2011-06-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structural and Computational Investigations of Vim- 7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases
J.Mol.Biol., 411, 2011
2BHU
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BU of 2bhu by Molmil
Crystal structure of Deinococcus radiodurans maltooligosyltrehalose trehalohydrolase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, MALTOOLIGOSYLTREHALOSE TREHALOHYDROLASE, ...
著者Timmins, J, Leiros, H.-K.S, Leonard, G, Leiros, I, McSweeney, S.
登録日2005-01-18
公開日2005-03-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal Structure of Maltooligosyltrehalose Trehalohydrolase from Deinococcus Radiodurans in Complex with Disaccharides
J.Mol.Biol., 347, 2005
6Q5B
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BU of 6q5b by Molmil
OXA-48_P68A-AVI. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE, ...
著者Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.K.S, Samuelsen, O.
登録日2018-12-07
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019
6Q5F
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BU of 6q5f by Molmil
OXA-48_P68A-CAZ. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance
分子名称: 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase, CHLORIDE ION, ...
著者Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.-K.S, Samuelsen, O.
登録日2018-12-08
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019
1N7A
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BU of 1n7a by Molmil
RIP-Radiation-damage Induced Phasing
分子名称: POTASSIUM ION, RNA/DNA (5'-R(*U)-D(P*(BGM))-R(P*AP*GP*GP*U)-3'), SPERMINE
著者Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S.
登録日2002-11-13
公開日2003-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Specific Radiation-Damage Can Be Used To Solve Macromolecular Crystal Structures
Structure, 11, 2003
4NWK
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BU of 4nwk by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide
分子名称: GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ...
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
4NWL
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BU of 4nwl by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide
分子名称: HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
1ZW6
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BU of 1zw6 by Molmil
Crystal Structure of the GTP-bound form of RasQ61G
分子名称: CALCIUM ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Ford, B, Hornak, V, Kleinman, H, Nassar, N.
登録日2005-06-03
公開日2006-03-14
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of a transient intermediate for GTP hydrolysis by ras.
Structure, 14, 2006
1N7B
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BU of 1n7b by Molmil
RIP-Radiation-damage Induced Phasing
分子名称: POTASSIUM ION, RNA/DNA (5'-R(*U)-D(P*(BGM))-R(P*AP*GP*GP*U)-3'), SPERMINE
著者Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S.
登録日2002-11-13
公開日2003-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Specific Radiation-Damage Can Be Used To Solve Macromolecular Crystal Structures
Structure, 11, 2003
4LYL
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BU of 4lyl by Molmil
Crystal structure of uracil-DNA glycosylase from cod (Gadus morhua) in complex with the proteinaceous inhibitor UGI
分子名称: Uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor
著者Assefa, N.G, Niiranen, L.M.K, Johnson, K.A, Leiros, H.-K.S, Smalas, A.O, Willassen, N.P, Moe, E.
登録日2013-07-31
公開日2014-08-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural and biophysical analysis of interactions between cod and human uracil-DNA N-glycosylase (UNG) and UNG inhibitor (Ugi).
Acta Crystallogr.,Sect.D, 70, 2014
2Y8B
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BU of 2y8b by Molmil
VIM-7 with Oxidised. Structural and computational investigations of VIM-7: Insights into the substrate specificity of VIM metallo-beta- lactamases
分子名称: METALLO-B-LACTAMASE, ZINC ION
著者Saradhi, P, Leiros, H.-K.S, Ahmad, R, Spencer, J, Leiros, I, Walsh, T.R, Sundsfjord, A, Samuelsen, O.
登録日2011-02-03
公開日2011-06-15
最終更新日2011-08-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Computational Investigations of Vim- 7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases
J.Mol.Biol., 411, 2011
5DTK
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BU of 5dtk by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 17
分子名称: 1,2-ETHANEDIOL, 3,5-di(pyridin-4-yl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-18
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.60000241 Å)
主引用文献Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
2ISA
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BU of 2isa by Molmil
Crystal Structure of Vibrio salmonicida catalase
分子名称: CHLORIDE ION, Catalase, GLYCEROL, ...
著者Riise, E.K, Lorentzen, M.S, Helland, R, Smalas, A.O, Leiros, H.K.S, Willassen, N.P.
登録日2006-10-17
公開日2007-01-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The first structure of a cold-active catalase from Vibrio salmonicida at 1.96A reveals structural aspects of cold adaptation
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
5ACU
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BU of 5acu by Molmil
VIM-2-NAT, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening
分子名称: BETA-LACTAMASE, CHLORIDE ION, HYDROXIDE ION, ...
著者Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S.
登録日2015-08-18
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
J.Med.Chem., 58, 2015
5ACV
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BU of 5acv by Molmil
VIM-2-OX, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening
分子名称: BETA-LACTAMASE, CHLORIDE ION, HYDROXIDE ION, ...
著者Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S.
登録日2015-08-18
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.963 Å)
主引用文献Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
J.Med.Chem., 58, 2015

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