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PDB: 114 件

6FW0
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Crystal structure of human monoamine oxidase B (MAO B) in complex with chlorophenyl-chromone-carboxamide
分子名称: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C.
登録日2018-03-05
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
6FWC
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Crystal structure of human monoamine oxidase B (MAO B) in complex with fluorophenyl-chromone-carboxamide
分子名称: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C.
登録日2018-03-06
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
8CAP
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Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with CB28
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative ferric reductase, [4-[[(4~{E})-4-(furan-2-ylmethylidene)-2,3-dihydro-1~{H}-acridin-9-yl]carbonyl]piperazin-1-yl]-pyridin-2-yl-methanone
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAO
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Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with CA24
分子名称: 1,2-ETHANEDIOL, 8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione, DI(HYDROXYETHYL)ETHER, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
6FVZ
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Crystal structure of human monoamine oxidase B (MAO B) in complex with dimethylphenyl-chromone-carboxamide
分子名称: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C.
登録日2018-03-05
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
8CB0
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Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41 and NADP+
分子名称: 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAL
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BU of 8cal by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M34
分子名称: 3-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAK
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Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41
分子名称: 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, DIMETHYL SULFOXIDE, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
1FO0
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BU of 1fo0 by Molmil
MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX
分子名称: NATURALLY PROCESSED OCTAPEPTIDE PBM1, PROTEIN (ALLOGENEIC H-2KB MHC CLASS I MOLECULE), PROTEIN (BETA-2 MICROGLOBULIN), ...
著者Reiser, J.B, Darnault, C, Guimezanes, A, Gregoire, C, Mosser, T, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Malissen, B, Housset, D, Mazza, G.
登録日2000-08-24
公開日2000-10-02
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 a T cell receptor bound to an allogeneic MHC molecule.
Nat.Immunol., 1, 2000
8DAI
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BU of 8dai by Molmil
E. coli DHFR complex with NADP+ and 10-methylfolate
分子名称: Dihydrofolate reductase, MANGANESE (II) ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Greisman, J.B, Brookner, D.E, Hekstra, D.R.
登録日2022-06-13
公開日2023-06-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献E. coli DHFR complex with NADP+ and 10-methylfolate
To Be Published
7MM1
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BU of 7mm1 by Molmil
PTP1B in complex with TCS401 by Native S-SAD at Room Temperature
分子名称: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Greisman, J.B, Dalton, K.M, Hekstra, D.R.
登録日2021-04-29
公開日2021-05-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
7RIN
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BU of 7rin by Molmil
Apo PTP1B by Native S-SAD at Room Temperature
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Greisman, J.B, Dalton, K.M, Hekstra, D.R.
登録日2021-07-20
公開日2021-07-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
8G6A
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BU of 8g6a by Molmil
Wildtype PTP1b in complex with DES6016
分子名称: DIMETHYL SULFOXIDE, MAGNESIUM ION, TRIETHYLENE GLYCOL, ...
著者Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E.
登録日2023-02-14
公開日2023-04-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
8G69
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Wildtype PTP1b in complex with DES5743
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline, MAGNESIUM ION, ...
著者Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E.
登録日2023-02-14
公開日2023-04-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
8G67
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BU of 8g67 by Molmil
Wildtype PTP1b in complex with DES4884
分子名称: 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E.
登録日2023-02-14
公開日2023-04-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
8G68
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Wildtype PTP1b in complex with DES5742
分子名称: 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline, Tyrosine-protein phosphatase non-receptor type 1
著者Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E.
登録日2023-02-14
公開日2023-04-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
8G65
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BU of 8g65 by Molmil
Wildtype PTP1b in complex with DES4799
分子名称: 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E.
登録日2023-02-14
公開日2023-04-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
8G50
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BU of 8g50 by Molmil
E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences)
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R.
登録日2023-02-10
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences)
To Be Published
1NAM
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BU of 1nam by Molmil
MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BM3.3 T Cell Receptor alpha-Chain, BM3.3 T Cell Receptor beta-Chain, ...
著者Reiser, J.-B, Darnault, C, Gregoire, C, Mosser, T, Mazza, G, Kearnay, A, van der Merwe, P.A, Fontecilla-Camps, J.C, Housset, D, Malissen, B.
登録日2002-11-28
公開日2003-03-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CDR3 loop flexibility contributes to the degeneracy of TCR recognition
Nat.Immunol., 4, 2003
5LL3
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BU of 5ll3 by Molmil
Structure of the Isoleucine 2-epimerase from Lactobacillus buchneri (PLP complex form)
分子名称: Isoleucine 2-epimerase, PYRIDOXAL-5'-PHOSPHATE
著者Reiser, J.-B, Awad, R, Gans, P.
登録日2016-07-26
公開日2017-04-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural insights into the substrate recognition and reaction specificity of the PLP-dependent fold-type I isoleucine 2-epimerase from Lactobacillus buchneri.
Biochimie, 137, 2017
1KJ2
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BU of 1kj2 by Molmil
Murine Alloreactive ScFv TCR-Peptide-MHC Class I Molecule Complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Allogeneic H-2Kb MHC Class I Molecule, Beta-2 microglobulin, ...
著者Reiser, J.-B, Gregoire, C, Darnault, C, Mosser, T, Guimezanes, A, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Mazza, G, Malissen, B, Housset, D.
登録日2001-12-04
公開日2002-03-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献A T cell receptor CDR3beta loop undergoes conformational changes of unprecedented magnitude upon binding to a peptide/MHC class I complex.
Immunity, 16, 2002
1NAN
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BU of 1nan by Molmil
MCH CLASS I H-2KB MOLECULE COMPLEXED WITH PBM1 PEPTIDE
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
著者Reiser, J.-B, Darnault, C, Gregoire, C, Mosser, T, Mazza, G, Kearnay, A, van der Merwe, P.A, Fontecilla-Camps, J.C, Housset, D, Malissen, B.
登録日2002-11-28
公開日2003-03-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献CDR3 loop flexibility contributes to the degeneracy of TCR recognition
Nat.Immunol., 4, 2003
1KJ3
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BU of 1kj3 by Molmil
Mhc Class I H-2Kb molecule complexed with pKB1 peptide
分子名称: BETA-2 MICROGLOBULIN, H-2KB MHC CLASS I MOLECULE ALPHA CHAIN, NATURALLY PROCESSED OCTAPEPTIDE PKB1
著者Reiser, J.-B, Gregoire, C, Darnault, C, Mosser, T, Guimezanes, A, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Mazza, G, Malissen, B, Housset, D.
登録日2001-12-04
公開日2002-03-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A T cell receptor CDR3beta loop undergoes conformational changes of unprecedented magnitude upon binding to a peptide/MHC class I complex.
Immunity, 16, 2002
3OWJ
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BU of 3owj by Molmil
Human CK2 catalytic domain in complex with a pyridocarbazole derivative inhibitor
分子名称: 9-hydroxy-5,11-dimethyl-4,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one, CSNK2A1 protein
著者Reiser, J.-B, Prudent, R, Cochet, C.
登録日2010-09-20
公開日2010-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Antitumor activity of pyridocarbazole and benzopyridoindole derivatives that inhibit protein kinase CK2.
Cancer Res., 70, 2010
3OWL
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BU of 3owl by Molmil
Human CK2 catalytic domain in complex with a benzopyridoindole derivative inhibitor
分子名称: 11-chloro-8-methyl-7H-benzo[e]pyrido[4,3-b]indol-3-ol, CSNK2A1 protein, SULFATE ION
著者Reiser, J.-B, Prudent, R, Cochet, C.
登録日2010-09-20
公開日2010-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Antitumor activity of pyridocarbazole and benzopyridoindole derivatives that inhibit protein kinase CK2.
Cancer Res., 70, 2010

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件を2024-06-26に公開中

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