Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 114 results

6FW0
DownloadVisualize
BU of 6fw0 by Molmil
Crystal structure of human monoamine oxidase B (MAO B) in complex with chlorophenyl-chromone-carboxamide
Descriptor: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C.
Deposit date:2018-03-05
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
6FWC
DownloadVisualize
BU of 6fwc by Molmil
Crystal structure of human monoamine oxidase B (MAO B) in complex with fluorophenyl-chromone-carboxamide
Descriptor: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C.
Deposit date:2018-03-06
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
8CAP
DownloadVisualize
BU of 8cap by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with CB28
Descriptor: 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
Authors:Reis, J, Mattevi, A.
Deposit date:2023-01-24
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAO
DownloadVisualize
BU of 8cao by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with CA24
Descriptor: 1,2-ETHANEDIOL, 8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione, DI(HYDROXYETHYL)ETHER, ...
Authors:Reis, J, Mattevi, A.
Deposit date:2023-01-24
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
6FVZ
DownloadVisualize
BU of 6fvz by Molmil
Crystal structure of human monoamine oxidase B (MAO B) in complex with dimethylphenyl-chromone-carboxamide
Descriptor: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C.
Deposit date:2018-03-05
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
8CB0
DownloadVisualize
BU of 8cb0 by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41 and NADP+
Descriptor: 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, ...
Authors:Reis, J, Mattevi, A.
Deposit date:2023-01-24
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAL
DownloadVisualize
BU of 8cal by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M34
Descriptor: 3-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Reis, J, Mattevi, A.
Deposit date:2023-01-24
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAK
DownloadVisualize
BU of 8cak by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41
Descriptor: 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, ...
Authors:Reis, J, Mattevi, A.
Deposit date:2023-01-24
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
1FO0
DownloadVisualize
BU of 1fo0 by Molmil
MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX
Descriptor: NATURALLY PROCESSED OCTAPEPTIDE PBM1, PROTEIN (ALLOGENEIC H-2KB MHC CLASS I MOLECULE), PROTEIN (BETA-2 MICROGLOBULIN), ...
Authors: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.
Deposit date:2000-08-24
Release date:2000-10-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a T cell receptor bound to an allogeneic MHC molecule.
Nat.Immunol., 1, 2000
8DAI
DownloadVisualize
BU of 8dai by Molmil
E. coli DHFR complex with NADP+ and 10-methylfolate
Descriptor: Dihydrofolate reductase, MANGANESE (II) ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Greisman, J.B, Brookner, D.E, Hekstra, D.R.
Deposit date:2022-06-13
Release date:2023-06-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:E. coli DHFR complex with NADP+ and 10-methylfolate
To Be Published
7MM1
DownloadVisualize
BU of 7mm1 by Molmil
PTP1B in complex with TCS401 by Native S-SAD at Room Temperature
Descriptor: 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
Authors:Greisman, J.B, Dalton, K.M, Hekstra, D.R.
Deposit date:2021-04-29
Release date:2021-05-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
7RIN
DownloadVisualize
BU of 7rin by Molmil
Apo PTP1B by Native S-SAD at Room Temperature
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Greisman, J.B, Dalton, K.M, Hekstra, D.R.
Deposit date:2021-07-20
Release date:2021-07-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
8G6A
DownloadVisualize
BU of 8g6a by Molmil
Wildtype PTP1b in complex with DES6016
Descriptor: DIMETHYL SULFOXIDE, MAGNESIUM ION, TRIETHYLENE GLYCOL, ...
Authors:Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E.
Deposit date:2023-02-14
Release date:2023-04-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.62 Å)
Cite: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
DownloadVisualize
BU of 8g69 by Molmil
Wildtype PTP1b in complex with DES5743
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline, MAGNESIUM ION, ...
Authors:Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E.
Deposit date:2023-02-14
Release date:2023-04-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite: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
DownloadVisualize
BU of 8g67 by Molmil
Wildtype PTP1b in complex with DES4884
Descriptor: 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E.
Deposit date:2023-02-14
Release date:2023-04-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite: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
DownloadVisualize
BU of 8g68 by Molmil
Wildtype PTP1b in complex with DES5742
Descriptor: 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline, Tyrosine-protein phosphatase non-receptor type 1
Authors:Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E.
Deposit date:2023-02-14
Release date:2023-04-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite: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
DownloadVisualize
BU of 8g65 by Molmil
Wildtype PTP1b in complex with DES4799
Descriptor: 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E.
Deposit date:2023-02-14
Release date:2023-04-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
DownloadVisualize
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)
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R.
Deposit date:2023-02-10
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
DownloadVisualize
BU of 1nam by Molmil
MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX
Descriptor: 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, ...
Authors: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.
Deposit date:2002-11-28
Release date:2003-03-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CDR3 loop flexibility contributes to the degeneracy of TCR recognition
Nat.Immunol., 4, 2003
5LL3
DownloadVisualize
BU of 5ll3 by Molmil
Structure of the Isoleucine 2-epimerase from Lactobacillus buchneri (PLP complex form)
Descriptor: Isoleucine 2-epimerase, PYRIDOXAL-5'-PHOSPHATE
Authors:Reiser, J.-B, Awad, R, Gans, P.
Deposit date:2016-07-26
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
DownloadVisualize
BU of 1kj2 by Molmil
Murine Alloreactive ScFv TCR-Peptide-MHC Class I Molecule Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Allogeneic H-2Kb MHC Class I Molecule, Beta-2 microglobulin, ...
Authors: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.
Deposit date:2001-12-04
Release date:2002-03-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.71 Å)
Cite: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
DownloadVisualize
BU of 1nan by Molmil
MCH CLASS I H-2KB MOLECULE COMPLEXED WITH PBM1 PEPTIDE
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
Authors: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.
Deposit date:2002-11-28
Release date:2003-03-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CDR3 loop flexibility contributes to the degeneracy of TCR recognition
Nat.Immunol., 4, 2003
1KJ3
DownloadVisualize
BU of 1kj3 by Molmil
Mhc Class I H-2Kb molecule complexed with pKB1 peptide
Descriptor: BETA-2 MICROGLOBULIN, H-2KB MHC CLASS I MOLECULE ALPHA CHAIN, NATURALLY PROCESSED OCTAPEPTIDE PKB1
Authors: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.
Deposit date:2001-12-04
Release date:2002-03-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
DownloadVisualize
BU of 3owj by Molmil
Human CK2 catalytic domain in complex with a pyridocarbazole derivative inhibitor
Descriptor: 9-hydroxy-5,11-dimethyl-4,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one, CSNK2A1 protein
Authors:Reiser, J.-B, Prudent, R, Cochet, C.
Deposit date:2010-09-20
Release date:2010-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Antitumor activity of pyridocarbazole and benzopyridoindole derivatives that inhibit protein kinase CK2.
Cancer Res., 70, 2010
3OWL
DownloadVisualize
BU of 3owl by Molmil
Human CK2 catalytic domain in complex with a benzopyridoindole derivative inhibitor
Descriptor: 11-chloro-8-methyl-7H-benzo[e]pyrido[4,3-b]indol-3-ol, CSNK2A1 protein, SULFATE ION
Authors:Reiser, J.-B, Prudent, R, Cochet, C.
Deposit date:2010-09-20
Release date:2010-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antitumor activity of pyridocarbazole and benzopyridoindole derivatives that inhibit protein kinase CK2.
Cancer Res., 70, 2010

221716

数据于2024-06-26公开中

PDB statisticsPDBj update infoContact PDBjnumon