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PDB: 225 件
3NOX
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BU of 3nox by Molmil
Crystal structure of human DPP-IV in complex with Sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl-peptidase 4 (CD26, ...
著者Klei, H.E.
登録日2010-06-25
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.338 Å)
主引用文献Discovery of 6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamides as Potent, Selective Dipeptidyl Peptidase-4 (DPP4) Inhibitors.
J.Med.Chem., 53, 2010
6TM9
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BU of 6tm9 by Molmil
VIM-2_1cc-. Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases
分子名称: 2,5-bis(chloranyl)-~{N}-[[5-[(cyclohexylamino)methyl]-2~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide, Beta-lactamase class B VIM-2, HYDROXIDE ION, ...
著者Leiros, H.-K.S.
登録日2019-12-03
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Structural studies of triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases.
Bioorg.Med.Chem., 28, 2020
6TMC
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BU of 6tmc by Molmil
VIM-2_1dh-Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases
分子名称: 4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole, Beta-lactamase class B VIM-2, HYDROXIDE ION, ...
著者Leiros, H.-K.S, Christopeit, T.
登録日2019-12-04
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural studies of triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases.
Bioorg.Med.Chem., 28, 2020
6RAS
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BU of 6ras by Molmil
Pmar-Lig_Pre.
分子名称: ADENOSINE MONOPHOSPHATE, ATP-dependent DNA ligase, DNA, ...
著者Leiros, H.K.S, Williamson, A.
登録日2019-04-07
公開日2019-07-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation.
Nucleic Acids Res., 47, 2019
6RAU
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BU of 6rau by Molmil
PostS3_Pmar_lig4_WT
分子名称: ADENOSINE MONOPHOSPHATE, ATP-dependent DNA ligase, DNA (5'-D(*AP*TP*TP*GP*CP*GP*AP*CP*CP*CP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*A)-3'), ...
著者Leiros, H.K.S, Williamson, A.
登録日2019-04-08
公開日2019-07-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation.
Nucleic Acids Res., 47, 2019
4D1T
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BU of 4d1t by Molmil
High resolution structure of native tVIM-7 from Pseudomonas aeruginosa
分子名称: METALLO-B-LACTAMASE, ZINC ION
著者Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O.
登録日2014-05-05
公開日2014-06-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7.
Antimicrob.Agents Chemother., 58, 2014
4D1V
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BU of 4d1v by Molmil
A F218Y mutant of VIM-7 from Pseudomonas aeruginosa
分子名称: METALLO-B-LACTAMASE, ZINC ION
著者Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O.
登録日2014-05-05
公開日2014-06-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7.
Antimicrob.Agents Chemother., 58, 2014
1HJ9
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BU of 1hj9 by Molmil
Atomic resolution structures of trypsin provide insight into structural radiation damage
分子名称: ANILINE, BETA-TRYPSIN, CALCIUM ION, ...
著者Leiros, H.-K.S, McSweeney, S.M, Smalas, A.O.
登録日2001-01-10
公開日2002-01-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Atomic Resolution Structure of Trypsin Provide Insight Into Structural Radiation Damage
Acta Crystallogr.,Sect.D, 57, 2001
6SKP
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BU of 6skp by Molmil
OXA-10_IPM. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10.
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, SODIUM ION, ...
著者Leiros, H.-K.S.
登録日2019-08-16
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.891 Å)
主引用文献Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020
6SKR
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BU of 6skr by Molmil
OXA-10_ETP. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10.
分子名称: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, FORMIC ACID, ...
著者Leiros, H.-K.S.
登録日2019-08-16
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020
6SKQ
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BU of 6skq by Molmil
OXA-655_MEM. Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, SULFATE ION
著者Leiros, H.-K.S.
登録日2019-08-16
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020
1BRY
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BU of 1bry by Molmil
BRYODIN TYPE I RIP
分子名称: BRYODIN I
著者Klei, H.E, Chang, C.Y.
登録日1997-02-14
公開日1998-03-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular, biological, and preliminary structural analysis of recombinant bryodin 1, a ribosome-inactivating protein from the plant Bryonia dioica.
Biochemistry, 36, 1997
4KNW
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BU of 4knw by Molmil
The crystal structure of human HDHD4 IN COMPLEX WITH MAGNESIUM AND THE PHOSPHATE MIMETIC VANADATE
分子名称: MAGNESIUM ION, N-acylneuraminate-9-phosphatase, VANADATE ION
著者Klei, H.E.
登録日2013-05-10
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.699 Å)
主引用文献Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: Observation of extensive dynamics in an enzyme/inhibitor complex.
Bioorg.Med.Chem.Lett., 23, 2013
4KNV
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BU of 4knv by Molmil
The crystal structure of APO HUMAN HDHD4 FROM SE-MAD
分子名称: MAGNESIUM ION, N-acylneuraminate-9-phosphatase, PHOSPHATE ION
著者Klei, H.E.
登録日2013-05-10
公開日2013-06-26
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (1.993 Å)
主引用文献Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: Observation of extensive dynamics in an enzyme/inhibitor complex.
Bioorg.Med.Chem.Lett., 23, 2013
1HJ8
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BU of 1hj8 by Molmil
1.00 AA Trypsin from Atlantic Salmon
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Leiros, H.-K.S, Mcsweeney, S.M, Smalas, A.O.
登録日2001-01-09
公開日2002-01-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Atomic Resolution Structure of Trypsin Provide Insight Into Structural Radiation Damage
Acta Crystallogr.,Sect.D, 57, 2001
2BY7
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BU of 2by7 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-29
公開日2006-02-06
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BY6
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BU of 2by6 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-29
公開日2006-02-06
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BYA
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BU of 2bya by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-29
公開日2006-02-06
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BY9
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BU of 2by9 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-29
公開日2006-02-06
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BY5
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BU of 2by5 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-29
公開日2006-02-06
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BY8
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BU of 2by8 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-29
公開日2006-02-06
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
3K9X
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BU of 3k9x by Molmil
X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE
分子名称: CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ...
著者Klei, H.E, Kish, K, Ghosh, K, Rushith, A.
登録日2009-10-16
公開日2009-12-15
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
Bioorg.Med.Chem.Lett., 19, 2009
4AWZ
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BU of 4awz by Molmil
Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
分子名称: CALCIUM ION, MAGNESIUM ION, METALLO-BETA-LACTAMASE AIM-1, ...
著者Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
登録日2012-06-06
公開日2012-06-20
最終更新日2012-08-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157.
Antimicrob.Agents Chemother., 56, 2012
4BPT
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BU of 4bpt by Molmil
Structural and thermodynamic insight into phenylalanine hydroxylase from the human pathogen Legionella pneumophila
分子名称: DI(HYDROXYETHYL)ETHER, PHENYLALANINE-4-HYDROXYLASE (PAH) (PHE-4-MONOOXYGENASE)
著者Leiros, H.-K.S, Flydal, M.I, Martinez, A.
登録日2013-05-28
公開日2013-08-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Thermodynamic Insight Into Phenylalanine Hydroxylase from the Human Pathogen Legionella Pneumophila.
FEBS Open Bio, 3, 2013
4AX1
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BU of 4ax1 by Molmil
Q157N mutant. Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
分子名称: ACETATE ION, CALCIUM ION, MAGNESIUM ION, ...
著者Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
登録日2012-06-06
公開日2012-06-20
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157
Antimicrob.Agents Chemother., 56, 2012

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