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PDB: 439 件

7NBJ
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Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the bisubstrate-like inhibitor (1)
分子名称: 2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-1H-pyrazol-1-yl)propan-1-one, GLYCEROL, Nicotinamide N-methyltransferase
著者Schreuder, H.A, Liesum, A.
登録日2021-01-27
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.275 Å)
主引用文献Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
7NBM
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Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the bisubstrate-like inhibitor (33)
分子名称: (E)-3-((5,6-dihydro-2H,4H-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one, Nicotinamide N-methyltransferase
著者Schreuder, H.A, Liesum, A.
登録日2021-01-27
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.691 Å)
主引用文献Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
7NBQ
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Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (4)
分子名称: 2-methyl-1,2,6,7-tetrahydro-3H,5H-pyrido[3,2,1-ij]quinazolin-3-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Schreuder, H.A, Liesum, A.
登録日2021-01-27
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.479 Å)
主引用文献Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
5BUV
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X-ray structure of WbcA from Yersinia enterocolitica
分子名称: 1,2-ETHANEDIOL, 6-AMINOPYRIMIDIN-2(1H)-ONE, PHOSPHATE ION, ...
著者Holden, H.M, Salinger, A.J, Brown, H.A, Thoden, J.B.
登録日2015-06-04
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Biochemical studies on WbcA, a sugar epimerase from Yersinia enterocolitica.
Protein Sci., 24, 2015
6YAU
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CRYSTAL STRUCTURE OF ASGPR 1 IN COMPLEX WITH GN-A.
分子名称: 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide, Asialoglycoprotein receptor 1, CALCIUM ION
著者Schreuder, H.A, Liesum, A.
登録日2020-03-13
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.397 Å)
主引用文献Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020
6YG9
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CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07.
分子名称: 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid, MYRISTIC ACID, Serum albumin
著者Schreuder, H.A, Liesum, A.
登録日2020-03-27
公開日2021-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020
6MV4
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CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR IXa
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Vadivel, K, Schreuder, H.A, Liesum, A, Bajaj, S.P.
登録日2018-10-24
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Sodium-site in serine protease domain of human coagulation factor IXa: evidence from the crystal structure and molecular dynamics simulations study.
J. Thromb. Haemost., 17, 2019
7BKG
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Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (2)
分子名称: 5,6-dihydro-2-imino-2H,4H-thiazolo(5,4,3-IJ)quinoline, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Schreuder, H.A, Liesum, A.
登録日2021-01-15
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.326 Å)
主引用文献Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
7BLE
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BU of 7ble by Molmil
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (3)
分子名称: 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Schreuder, H.A, Liesum, A.
登録日2021-01-18
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.809 Å)
主引用文献Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
7BUK
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T1 lipase mutant - 5M (D43E/T118N/E226D/E250L/N304E)
分子名称: CALCIUM ION, Lipase, ZINC ION
著者Ishak, S.N.H, Rahman, R.N.Z.R.A, Ali, M.S.M, Leow, A.T.C, Kamarudin, N.H.A.
登録日2020-04-07
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.644 Å)
主引用文献Structure elucidation and docking analysis of 5M mutant of T1 lipase Geobacillus zalihae.
Plos One, 16, 2021
6NR6
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Crystal Structure of Staphylococcus pseudintermedius SbnI in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bifunctional transcriptional regulator/O-phospho-L-serine synthase SbnI, MAGNESIUM ION
著者Verstraete, M.M, Morales, L.D, Kobylarz, M.J, Loutet, S.A, Laakso, H.A, Heinrichs, D.E, Murphy, M.E.P.
登録日2019-01-22
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The heme-sensitive regulator SbnI has a bifunctional role in staphyloferrin B production by Staphylococcus aureus .
J.Biol.Chem., 294, 2019
5CR6
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Structure of pneumolysin at 1.98 A resolution
分子名称: Pneumolysin
著者Marshall, J.E, Faraj, B.H.A, Gingras, A.R, Lonnen, R, Sheikh, M.A, El-Mezgueldi, M, Moody, P.C.E, Andrew, P.W, Wallis, R.
登録日2015-07-22
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The Crystal Structure of Pneumolysin at 2.0 angstrom Resolution Reveals the Molecular Packing of the Pre-pore Complex.
Sci Rep, 5, 2015
6OF6
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Crystal structure of tRNA^ Ala(GGC) bound to cognate 70S A-site
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Nguyen, H.A, Sunita, S, Dunham, C.M.
登録日2019-03-28
公開日2020-06-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Disruption of evolutionarily correlated tRNA elements impairs accurate decoding.
Proc.Natl.Acad.Sci.USA, 117, 2020
5CR8
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BU of 5cr8 by Molmil
Structure of the membrane-binding domain of pneumolysin
分子名称: Pneumolysin
著者Marshall, J.E, Faraj, B.H.A, Gingras, A.R, Lonnen, R, Sheikh, M.A, El-Mezgueldi, M, Moody, P.C.E, Andrew, P.W, Wallis, R.
登録日2015-07-22
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Crystal Structure of Pneumolysin at 2.0 angstrom Resolution Reveals the Molecular Packing of the Pre-pore Complex.
Sci Rep, 5, 2015
6OPE
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BU of 6ope by Molmil
Crystal structure of tRNA^ Ala(GGC) U32-A38 bound to near-cognate 70S A site
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Nguyen, H.A, Sunita, S, Dunham, C.M.
登録日2019-04-24
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Disruption of evolutionarily correlated tRNA elements impairs accurate decoding.
Proc.Natl.Acad.Sci.USA, 117, 2020
4TYS
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BU of 4tys by Molmil
Crystal structure of Canavalia maritima lectin (ConM) complexed with a dinucleotide
分子名称: Concanavalin-A, bis{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl} hydrogen phosphate
著者Vieira, D.B.H.A, Delatorre, P, Silva-Filho, J.C, Nobrega, R.B, Cavada, B.S, Rocha, B.A.M, Lima, E.M, Teixeira, C.S.
登録日2014-07-09
公開日2015-07-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Crystal structure of Canavalia maritima lectin (ConM) complexed with a dinucleotide
To Be Published
4TZD
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BU of 4tzd by Molmil
Crystal structure of Canavalia maritima lectin (ConM) complexed with interleukin - 1 beta primer
分子名称: Concanavalin-A, DNA (5'-D(P*CP*G)-3'), DNA (5'-D(P*TP*C)-3')
著者Vieira, D.B.H.A, Delatorre, P, Rocha, B.A.M, Teixeira, C.S, Silva-Filho, J.C, Lima, E.M, Nobrega, R.B, Cavada, B.S.
登録日2014-07-10
公開日2015-07-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of Canavalia maritima lectin (ConM) complexed with interleukin 1 - beta primer
To Be Published
6ORD
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BU of 6ord by Molmil
Crystal structure of tRNA^ Ala(GGC) U32-A38 bound to cognate 70S A site
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Nguyen, H.A, Sunita, S, Dunham, C.M.
登録日2019-04-30
公開日2020-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Disruption of evolutionarily correlated tRNA elements impairs accurate decoding.
Proc.Natl.Acad.Sci.USA, 117, 2020
4FUQ
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Crystal structure of apo MatB from Rhodopseudomonas palustris
分子名称: GLYCEROL, Malonyl CoA synthetase, SULFATE ION
著者Rank, K.C, Crosby, H.A, Escalante-Semerena, J.C, Rayment, I.
登録日2012-06-28
公開日2012-07-25
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Structure-Guided Expansion of the Substrate Range of Methylmalonyl Coenzyme A Synthetase (MatB) of Rhodopseudomonas palustris.
Appl.Environ.Microbiol., 78, 2012
6OJ2
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BU of 6oj2 by Molmil
Crystal structure of tRNA^ Ala(GGC) bound to the near-cognate 70S A-site
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Nguyen, H.A, Sunita, S, Dunham, C.M.
登録日2019-04-10
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Disruption of evolutionarily correlated tRNA elements impairs accurate decoding.
Proc.Natl.Acad.Sci.USA, 117, 2020
4FUT
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BU of 4fut by Molmil
Crystal structure of ATP bound MatB from Rhodopseudomonas palustris
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Rank, K.C, Crosby, H.A, Escalante-Semerena, J.C, Rayment, I.
登録日2012-06-28
公開日2012-07-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Expansion of the Substrate Range of Methylmalonyl Coenzyme A Synthetase (MatB) of Rhodopseudomonas palustris.
Appl.Environ.Microbiol., 78, 2012
4UIB
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BU of 4uib by Molmil
Crystal structure of 3p in complex with tafCPB
分子名称: (2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID, ACETATE ION, CARBOXYPEPTIDASE B, ...
著者Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C.
登録日2015-03-27
公開日2015-06-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin.
J.Med.Chem., 58, 2015
4UIA
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Crystal structure of 3a in complex with tafCPB
分子名称: (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid, CARBOXYPEPTIDASE B, ZINC ION
著者Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C.
登録日2015-03-27
公開日2015-06-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin.
J.Med.Chem., 58, 2015
6P9E
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Crystal structure of IL-36gamma complexed to A-552
分子名称: (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma
著者Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E.
登録日2019-06-10
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis.
Sci Rep, 9, 2019
7QIL
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BU of 7qil by Molmil
Solution NMR structure of halophilic DnaE intein
分子名称: DnaE intein
著者Heikkinen, H.A, Aranko, S.A, Iwai, H.
登録日2021-12-15
公開日2022-04-27
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The NMR structure of the engineered halophilic DnaE intein for segmental isotopic labeling using conditional protein splicing.
J.Magn.Reson., 338, 2022

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