Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
3OPY
DownloadVisualize
BU of 3opy by Molmil
Crystal structure of Pichia pastoris phosphofructokinase in the T-state
Descriptor: 6-phosphofructo-1-kinase alpha-subunit, 6-phosphofructo-1-kinase beta-subunit, 6-phosphofructo-1-kinase gamma-subunit, ...
Authors:Strater, N, Marek, S, Kuettner, E.B, Kloos, M, Keim, A, Bruser, A, Kirchberger, J, Schoneberg, T.
Deposit date:2010-09-02
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Molecular architecture and structural basis of allosteric regulation of eukaryotic phosphofructokinases.
Faseb J., 25, 2011
6Z9D
DownloadVisualize
BU of 6z9d by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative AB680 (compound 55 in publication) in the closed form (crystal form III)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2020-06-03
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 63, 2020
8ACD
DownloadVisualize
BU of 8acd by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S
Descriptor: (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5
Authors:Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P.
Deposit date:2022-07-05
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
8ACL
DownloadVisualize
BU of 8acl by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14
Descriptor: (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5
Authors:Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P.
Deposit date:2022-07-05
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
8Q71
DownloadVisualize
BU of 8q71 by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GC-67
Descriptor: (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5
Authors:Strater, N, Muller, C.E, Sylvester, K, Weisse, R.H, Useini, A, Gao, S, Song, L, Liu, Z, Zhan, P.
Deposit date:2023-08-15
Release date:2023-12-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.322 Å)
Cite:Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability.
J.Med.Chem., 66, 2023
8C9W
DownloadVisualize
BU of 8c9w by Molmil
Crystal structure of the adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with Etrumadenant at the orthosteric pocket
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, ...
Authors:Strater, N, Claff, T, Schlegel, J.G, Voss, J.H, Vaassen, V, Muller, C.E.
Deposit date:2023-01-23
Release date:2023-07-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:Crystal structure of adenosine A 2A receptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction.
Commun Chem, 6, 2023
7QGA
DownloadVisualize
BU of 7qga by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the open state
Descriptor: 5'-nucleotidase, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Strater, N.
Deposit date:2021-12-07
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGL
DownloadVisualize
BU of 7qgl by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the open state
Descriptor: 5'-nucleotidase, CALCIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Strater, N.
Deposit date:2021-12-08
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGO
DownloadVisualize
BU of 7qgo by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III)
Descriptor: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
Authors:Strater, N.
Deposit date:2021-12-09
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGM
DownloadVisualize
BU of 7qgm by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the closed state (crystal form III)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2021-12-08
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
6XUE
DownloadVisualize
BU of 6xue by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in the closed form in crystal form IV
Descriptor: 4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile, 5'-nucleotidase, CALCIUM ION, ...
Authors:Strater, N.
Deposit date:2020-01-19
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6XUG
DownloadVisualize
BU of 6xug by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A2410 (compound 53 in publication) in the closed form in crystal form IV
Descriptor: 4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole, 5'-nucleotidase, CALCIUM ION, ...
Authors:Strater, N.
Deposit date:2020-01-19
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6XUQ
DownloadVisualize
BU of 6xuq by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A1618 (compound 1b in publication) in the closed state in crystal form III
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2020-01-20
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6Z9B
DownloadVisualize
BU of 6z9b by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative A830 (compound 16 in publication) in the closed form (crystal form III)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N, Scaletti, E.
Deposit date:2020-06-03
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 63, 2020
4WL0
DownloadVisualize
BU of 4wl0 by Molmil
Ligand-free structure of human platelet phosphofructokinase in an R-state, crystal form I
Descriptor: ATP-dependent 6-phosphofructokinase, platelet type, PHOSPHATE ION
Authors:Kloos, M, Strater, N.
Deposit date:2014-10-05
Release date:2015-06-03
Last modified:2018-08-01
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation.
Biochem.J., 469, 2015
5EI0
DownloadVisualize
BU of 5ei0 by Molmil
Structure of RCL-cleaved vaspin (serpinA12)
Descriptor: Serpin A12
Authors:Pippel, J, Kuettner, B.E, Ulbricht, D, Daberger, J, Schultz, S, Heiker, J.T, Strater, N.
Deposit date:2015-10-29
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of cleaved vaspin (serpinA12).
Biol.Chem., 397, 2016
8OEK
DownloadVisualize
BU of 8oek by Molmil
Crystal structure of the HormR-GAIN domains of adhesion GPCR ADGRB2 (BAI2) in the uncleaved state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G protein-coupled receptor B2, CACODYLATE ION
Authors:Pohl, F, Strater, N.
Deposit date:2023-03-10
Release date:2023-05-31
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural basis of GAIN domain autoproteolysis and cleavage-resistance in the adhesion G-protein coupled receptors
To Be Published
7NEI
DownloadVisualize
BU of 7nei by Molmil
Polyester Hydrolase Leipzig 7 (PHL7) in the unliganded state
Descriptor: Polyester Hydrolase Leipzig 7 (PHL-7), SODIUM ION
Authors:Richter, P.K, Strater, N.
Deposit date:2021-02-04
Release date:2021-06-23
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Low Carbon Footprint Recycling of Post-Consumer PET Plastic with a Metagenomic Polyester Hydrolase.
ChemSusChem, 15, 2022
7Z4X
DownloadVisualize
BU of 7z4x by Molmil
Crystal structure of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with FAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein)
Authors:Kratky, J, Weisse, R, Strater, N.
Deposit date:2022-03-06
Release date:2023-02-22
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7Z94
DownloadVisualize
BU of 7z94 by Molmil
Crystal structure of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with indole
Descriptor: DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, INDOLE, ...
Authors:Kratky, J, Weisse, R, Strater, N.
Deposit date:2022-03-19
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7Z97
DownloadVisualize
BU of 7z97 by Molmil
Crystal structure of the F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with 6-bromoindole
Descriptor: 1,2-ETHANEDIOL, 6-bromo-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kratky, J, Weisse, R, Strater, N.
Deposit date:2022-03-20
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7Z98
DownloadVisualize
BU of 7z98 by Molmil
Crystal structure of F191M variant Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfide
Descriptor: (methylsulfanyl)benzene, 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kratky, J, Weisse, R, Strater, N.
Deposit date:2022-03-20
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7Z99
DownloadVisualize
BU of 7z99 by Molmil
Crystal structure of F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfoxide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein), [(S)-methylsulfinyl]benzene
Authors:Kratky, J, Weisse, R, Strater, N.
Deposit date:2022-03-20
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7ZCA
DownloadVisualize
BU of 7zca by Molmil
Crystal structure of the F191M/F201A variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with benzyl phenyl sulfoxide
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein), ...
Authors:Kratky, J, Weisse, R, Strater, N.
Deposit date:2022-03-26
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
3KBP
DownloadVisualize
BU of 3kbp by Molmil
KIDNEY BEAN PURPLE ACID PHOSPHATASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, PURPLE ACID PHOSPHATASE, ...
Authors:Klabunde, T, Strater, N, Krebs, B.
Deposit date:1995-10-02
Release date:1996-12-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanism of Fe(III)-Zn(II) purple acid phosphatase based on crystal structures.
J.Mol.Biol., 259, 1996

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon