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PDB: 225 件
2B7A
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BU of 2b7a by Molmil
The structural basis of Janus Kinase 2 inhibition by a potent and specific pan-Janus kinase inhibitor
分子名称: 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Tyrosine-protein kinase JAK2
著者Lucet, I.S, Fantino, E, Styles, M, Bamert, R, Patel, O, Broughton, S.E, Walter, M, Burns, C.J, Treutlein, H, Wilks, A.F, Rossjohn, J.
登録日2005-10-04
公開日2006-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structural basis of Janus kinase 2 inhibition by a potent and specific pan-Janus kinase inhibitor.
Blood, 107, 2006
5DVA
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BU of 5dva by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 1
分子名称: 3-(pyridin-4-yl)benzoic acid, Beta-lactamase, CHLORIDE ION
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-21
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.50003886 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
5ACP
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BU of 5acp by Molmil
W228R-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1
分子名称: GIM-1 PROTEIN, MAGNESIUM ION, ZINC ION
著者Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S.
登録日2015-08-17
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
5DTT
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BU of 5dtt by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 3
分子名称: 1,2-ETHANEDIOL, 3-(1,3-thiazol-2-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 (2.10000539 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
5DTS
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BU of 5dts by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 2
分子名称: 3-(pyridin-3-yl)benzoic acid, Beta-lactamase, CHLORIDE ION
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 (1.94015872 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
4AO8
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BU of 4ao8 by Molmil
PEG-bound complex of a novel cold-adapted esterase from an Arctic intertidal metagenomic library
分子名称: DI(HYDROXYETHYL)ETHER, ESTERASE
著者Fu, J, Leiros, H.-K.S, Pascale, D.d, Johnson, K.A, Blencke, H.M, Landfald, B.
登録日2012-03-23
公開日2012-08-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Functional and Structural Studies of a Novel Cold-Adapted Esterase from an Arctic Intertidal Metagenomic Library.
Appl.Microbiol.Biotechnol., 97, 2013
4AO6
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BU of 4ao6 by Molmil
Native structure of a novel cold-adapted esterase from an Arctic intertidal metagenomic library
分子名称: ESTERASE
著者Fu, J, Leiros, H.-K.S, Pascale, D.d, Johnson, K.A, Blencke, H.M, Landfald, B.
登録日2012-03-23
公開日2012-08-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Functional and Structural Studies of a Novel Cold-Adapted Esterase from an Arctic Intertidal Metagenomic Library.
Appl.Microbiol.Biotechnol., 97, 2013
4AO7
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BU of 4ao7 by Molmil
Zinc bound structure of a novel cold-adapted esterase from an Arctic intertidal metagenomic library
分子名称: ESTERASE, ZINC ION
著者Fu, J, Leiros, H.-K.S, Pascale, D.d, Johnson, K.A, Blencke, H.M, Landfald, B.
登録日2012-03-23
公開日2012-08-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Functional and Structural Studies of a Novel Cold-Adapted Esterase from an Arctic Intertidal Metagenomic Library.
Appl.Microbiol.Biotechnol., 97, 2013
2UXR
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BU of 2uxr by Molmil
Complex with isocitrate and the protein isocitrate dehydrogenase from the psychrophilic bacterium Desulfotalea psychrophila
分子名称: GLYCEROL, ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, ...
著者Fedoy, A.-E, Yang, N, Martinez, A, Leiros, H.-K.S, Steen, I.H.
登録日2007-03-29
公開日2008-02-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Functional Properties of Isocitrate Dehydrogenase from the Psychrophilic Bacterium Desulfotalea Psychrophila Reveal a Cold -Active Enzyme with an Unusual High Thermal
J.Mol.Biol., 372, 2007
2UXQ
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BU of 2uxq by Molmil
Isocitrate dehydrogenase from the psychrophilic bacterium Desulfotalea psychrophila: biochemical properties and crystal structure analysis
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, ISOCITRATE DEHYDROGENASE NATIVE, ...
著者Fedoy, A.-E, Yang, N, Martinez, A, Leiros, H.-K.S, Steen, I.H.
登録日2007-03-29
公開日2008-02-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Functional Properties of Isocitrate Dehydrogenase from the Psychrophilic Bacterium Desulfotalea Psychrophila Reveal a Cold -Active Enzyme with an Unusual High Thermal
J.Mol.Biol., 372, 2007
4BKE
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BU of 4bke by Molmil
Recombinant human serum albumin with palmitic acid. Synthetic cationic antimicrobial peptides bind with their hydrophobic parts to drug site II of human serum albumin
分子名称: PALMITIC ACID, SERUM ALBUMIN
著者Sivertsen, A, Isaksson, J, Leiros, H.-K.S, Svenson, J, Svendsen, J.-S, Brandsdal, B.-O.
登録日2013-04-24
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Synthetic Cationic Antimicrobial Peptides Bind with Their Hydrophobic Parts to Drug Site II of Human Serum Albumin.
Bmc Struct.Biol., 14, 2014
5ACR
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BU of 5acr by Molmil
W228Y-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1
分子名称: CALCIUM ION, GIM-1 PROTEIN, ZINC ION
著者Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S.
登録日2015-08-17
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
2IUC
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BU of 2iuc by Molmil
Structure of alkaline phosphatase from the Antarctic bacterium TAB5
分子名称: ALKALINE PHOSPHATASE, CACODYLATE ION, MAGNESIUM ION, ...
著者Wang, E, Koutsioulis, D, Leiros, H.K.S, Andersen, O.A, Bouriotis, V, Hough, E, Heikinheimo, P.
登録日2006-06-01
公開日2006-11-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Alkaline Phosphatase from the Antarctic Bacterium Tab5.
J.Mol.Biol., 366, 2007
2YNT
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BU of 2ynt by Molmil
GIM-1-3Mol native. Crystal structures of Pseudomonas aeruginosa GIM- 1: active site plasticity in metallo-beta-lactamases
分子名称: GIM-1 PROTEIN, GLYCEROL, ZINC ION
著者Borra, P.S, Samuelsen, O, Spencer, J, Lorentzen, M.S, Leiros, H.-K.S.
登録日2012-10-18
公開日2013-07-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases.
Antimicrob.Agents Chemother., 57, 2013
4D05
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BU of 4d05 by Molmil
Structure and activity of a minimal-type ATP-dependent DNA ligase from a psychrotolerant bacterium
分子名称: ADENOSINE MONOPHOSPHATE, ATP-DEPENDENT DNA LIGASE, MAGNESIUM ION, ...
著者Williamson, A, Rothweiler, U, Leiros, H.-K.S.
登録日2014-04-24
公開日2014-11-12
最終更新日2019-06-26
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Enzyme-Adenylate Structure of a Bacterial ATP-Dependent DNA Ligase with a Minimized DNA-Binding Surface
Acta Crystallogr.,Sect.D, 70, 2014
2YNW
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BU of 2ynw by Molmil
GIM-1-2Mol native. Crystal structures of Pseudomonas aeruginosa GIM- 1: active site plasticity in metallo-beta-lactamases
分子名称: GIM-1 PROTEIN, GLYCEROL, SULFATE ION, ...
著者Borra, P.S, Samuelsen, O, Spencer, J, Lorentzen, M.S, Leiros, H.-K.S.
登録日2012-10-18
公開日2013-07-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases.
Antimicrob.Agents Chemother., 57, 2013
1CP9
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BU of 1cp9 by Molmil
CRYSTAL STRUCTURE OF PENICILLIN G ACYLASE FROM THE BRO1 MUTANT STRAIN OF PROVIDENCIA RETTGERI
分子名称: CALCIUM ION, Penicillin G amidase, SULFATE ION
著者McDonough, M.A, Klei, H.E, Kelly, J.A.
登録日1999-06-12
公開日1999-06-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of penicillin G acylase from the Bro1 mutant strain of Providencia rettgeri.
Protein Sci., 8, 1999
1N6X
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BU of 1n6x by Molmil
RIP-phasing on Bovine Trypsin
分子名称: BENZYLAMINE, CALCIUM ION, GLYCEROL, ...
著者Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S.
登録日2002-11-12
公開日2003-03-04
最終更新日2017-10-11
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
1N6Y
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BU of 1n6y by Molmil
RIP-phasing on Bovine Trypsin
分子名称: BENZYLAMINE, CALCIUM ION, GLYCEROL, ...
著者Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S.
登録日2002-11-12
公開日2003-03-04
最終更新日2017-10-11
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
3SIV
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BU of 3siv by Molmil
Structure of a hPrp31-15.5K-U4atac 5' stem loop complex, dimeric form
分子名称: NHP2-like protein 1, U4/U6 small nuclear ribonucleoprotein Prp31, U4atac snRNA
著者Liu, S, Ghalei, H, Luhrmann, R, Wahl, M.C.
登録日2011-06-20
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.304 Å)
主引用文献Structural basis for the dual U4 and U4atac snRNA-binding specificity of spliceosomal protein hPrp31.
Rna, 17, 2011
2FXE
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BU of 2fxe by Molmil
X-ray crystal structure of HIV-1 protease CRM mutant complexed with atazanavir (BMS-232632)
分子名称: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ...
著者Sheriff, S, Klei, H.E.
登録日2006-02-05
公開日2007-02-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir.
J.Virol., 81, 2007
3SIU
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BU of 3siu by Molmil
Structure of a hPrp31-15.5K-U4atac 5' stem loop complex, monomeric form
分子名称: NHP2-like protein 1, SULFATE ION, U4/U6 small nuclear ribonucleoprotein Prp31, ...
著者Liu, S, Ghalei, H, Luhrmann, R, Wahl, M.C.
登録日2011-06-20
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.626 Å)
主引用文献Structural basis for the dual U4 and U4atac snRNA-binding specificity of spliceosomal protein hPrp31.
Rna, 17, 2011
5MM9
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BU of 5mm9 by Molmil
VIM-2_2b. Metallo-beta-Lactamase Inhibitors by Bioisosteric Replacement: Preparation, Activity and Binding
分子名称: (2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol, MAGNESIUM ION, Metallo-beta-lactamase VIM-17, ...
著者Skagseth, S, Akhter, S, Paulsen, M.H, Samuelsen, O, Muhammad, Z, Leiros, H.-K.S, Bayer, A.
登録日2016-12-08
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Metallo-beta-lactamase inhibitors by bioisosteric replacement: Preparation, activity and binding.
Eur J Med Chem, 135, 2017
6GOA
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BU of 6goa by Molmil
Structural basis for OXA-48 dimerization - R189A mutant
分子名称: Beta-lactamase, CHLORIDE ION
著者Lund, B.A, Thomassen, A.M, Leiros, H.K.S.
登録日2018-06-01
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.
FEBS J., 285, 2018
2Y1W
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BU of 2y1w by Molmil
CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR
分子名称: 2-{4-[3-FLUORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL] PIPERIDIN-1-YL}-N-METHYLETHANAMINE, HISTONE-ARGININE METHYLTRANSFERASE CARM1, SINEFUNGIN
著者Sack, J.S, Thieffine, S, Bandiera, T, Fasolini, M, Duke, G.J, Jayaraman, L, Kish, K.F, Klei, H.E, Purandare, A.V, Rosettani, P, Troiani, S, Xie, D, Bertrand, J.A.
登録日2010-12-10
公開日2011-03-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors
Biochem.J., 436, 2011

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