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4J3M
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BU of 4j3m by Molmil
Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid
Descriptor: 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid, GLYCEROL, SULFATE ION, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-06
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4J1Z
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BU of 4j1z by Molmil
Tankyrase 2 in complex with 4-chloro-1,2-dihydrophatalzin-one
Descriptor: 4-chlorophthalazin-1(2H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E.
Deposit date:2013-02-03
Release date:2013-07-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
6IJL
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BU of 6ijl by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 5
Descriptor: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
Authors:Baburajendran, N, Joy, J.
Deposit date:2018-10-10
Release date:2019-08-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
6LHM
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BU of 6lhm by Molmil
Structure of human PYCR2
Descriptor: Pyrroline-5-carboxylate reductase 2
Authors:Baburajendran, N.
Deposit date:2019-12-09
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Loss of PYCR2 Causes Neurodegeneration by Increasing Cerebral Glycine Levels via SHMT2.
Neuron, 107, 2020
5YOF
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BU of 5yof by Molmil
Crystal structure of zika virus NS3 protease in complex with a dipeptide inhibitor
Descriptor: (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide, NS2B cofactor, NS3 Protease
Authors:Phoo, W.W, Zhang, Z.Z.
Deposit date:2017-10-27
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural Insights into the Inhibition of Zika Virus NS2B-NS3 Protease by a Small-Molecule Inhibitor
Structure, 26, 2018
5YOD
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BU of 5yod by Molmil
Crystal structure of zika virus NS3 protease in complex with a small molecule inhibitor
Descriptor: BENZOIC ACID, NS2B cofactor, NS3 protease
Authors:Phoo, W.W, Zhang, Z.Z.
Deposit date:2017-10-27
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into the Inhibition of Zika Virus NS2B-NS3 Protease by a Small-Molecule Inhibitor
Structure, 26, 2018
5NV4
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BU of 5nv4 by Molmil
UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum double mutant D611C:G1050C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, UDP-glucose-glycoprotein glucosyltransferase-like protein, ...
Authors:Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N.
Deposit date:2017-05-03
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6FSN
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BU of 6fsn by Molmil
Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP-glucose (conformation 1)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Roversi, P, Le Cornu, J.D, Hill, J, Alonzi, D.S, Zitzmann, N.
Deposit date:2018-02-19
Release date:2019-03-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Crystal polymorphism in fragment-based lead discovery of ligands of the catalytic domain of UGGT, the glycoprotein folding quality control checkpoint.
Front Mol Biosci, 2022
1PFZ
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BU of 1pfz by Molmil
PROPLASMEPSIN II FROM PLASMODIUM FALCIPARUM
Descriptor: GLYCEROL, PROPLASMEPSIN II
Authors:Bernstein, N.K, Cherney, M.M, Loetscher, H, Ridley, R.G, James, M.N.G.
Deposit date:1998-07-07
Release date:1999-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the novel aspartic proteinase zymogen proplasmepsin II from plasmodium falciparum.
Nat.Struct.Biol., 6, 1999
7F8G
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BU of 7f8g by Molmil
Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase
Descriptor: 3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide, Eyes absent homolog 2
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-07-02
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.491 Å)
Cite:Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase.
Protein Sci., 31, 2022
7F8H
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BU of 7f8h by Molmil
Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase
Descriptor: 3-fluoranyl-~{N}-[(~{E})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide, Eyes absent homolog 2
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-07-02
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase.
Protein Sci., 31, 2022
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