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6GBI
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BU of 6gbi by Molmil
Wnt signalling
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ly6/PLAUR domain-containing protein 6, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2018-04-14
Release date:2018-08-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure of the Wnt signaling enhancer LYPD6 and its interactions with the Wnt coreceptor LRP6.
FEBS Lett., 592, 2018
6WYS
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BU of 6wys by Molmil
Lon protease proteolytic domain
Descriptor: Lon protease homolog, mitochondrial, SULFATE ION
Authors:Lee, C.C, Spraggon, G.
Deposit date:2020-05-13
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.229 Å)
Cite:Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6WZV
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BU of 6wzv by Molmil
Lon protease proteolytic domain
Descriptor: Lon protease homolog, mitochondrial, N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide, ...
Authors:Lee, C.C, Spraggon, G.
Deposit date:2020-05-14
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6X1M
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BU of 6x1m by Molmil
Lon protease proteolytic domain complexed with covalent boronic acid inhibitor
Descriptor: Lon protease homolog, mitochondrial, [(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid
Authors:Lee, C.C, Spraggon, G.
Deposit date:2020-05-19
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6X27
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BU of 6x27 by Molmil
Lon protease proteolytic domain complexed with bortezomib
Descriptor: GLYCEROL, Lon protease homolog, mitochondrial, ...
Authors:Lee, C.C, Spraggon, G.
Deposit date:2020-05-20
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
5CUJ
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BU of 5cuj by Molmil
Crystal structure of Human Defensin-5 Y27A mutant crystal form 2.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
5CUI
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BU of 5cui by Molmil
Crystal structure of Human Defensin-5 R28A mutant.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, ...
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
5CUM
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BU of 5cum by Molmil
Crystal structure of Human Defensin-5 Y27A mutant crystal form 1.
Descriptor: CALCIUM ION, CHLORIDE ION, Defensin-5, ...
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
4WUU
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BU of 4wuu by Molmil
Structure of ESK1 in complex with HLA-A*0201/WT1
Descriptor: ARG-MET-PHE-PRO-ASN-ALA-PRO-TYR-LEU, Beta-2-microglobulin, ESK1, ...
Authors:Ataie, N.J, Ng, H.L.
Deposit date:2014-11-03
Release date:2015-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.047 Å)
Cite:Structure of a TCR-Mimic Antibody with Target Predicts Pharmacogenetics.
J.Mol.Biol., 428, 2016
3T2C
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BU of 3t2c by Molmil
Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, DHAP-bound form
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION
Authors:Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O.
Deposit date:2011-07-22
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
3T2E
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BU of 3t2e by Molmil
Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, F6P-bound form
Descriptor: FRUCTOSE -6-PHOSPHATE, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION
Authors:Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O.
Deposit date:2011-07-22
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
3T2B
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BU of 3t2b by Molmil
Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, ligand free
Descriptor: Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION
Authors:Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O.
Deposit date:2011-07-22
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
3TA2
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BU of 3ta2 by Molmil
A. fulgidus GlnK3, MgATP/2-OG complex
Descriptor: 2-OXOGLUTARIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Maier, S, Schleberger, P, Lue, W, Wacker, T, Pflueger, T, Litz, C, Andrade, S.L.A.
Deposit date:2011-08-03
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of disruption of the Amt-GlnK complex by P(II)-mediated sensing of 2-oxoglutarate.
Plos One, 6, 2011
3T2G
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BU of 3t2g by Molmil
Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, Y229F variant with DHAP
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION
Authors:Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O.
Deposit date:2011-07-22
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
3T2D
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BU of 3t2d by Molmil
Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, FBP-bound form
Descriptor: 1,6-di-O-phosphono-D-fructose, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION
Authors:Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O.
Deposit date:2011-07-22
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
3T9Z
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BU of 3t9z by Molmil
A. fulgidus GlnK3, ligand-free
Descriptor: CITRATE ANION, Nitrogen regulatory protein P-II (GlnB-3)
Authors:Maier, S, Schleberger, P, Lue, W, Wacker, T, Pflueger, T, Litz, C, Andrade, S.L.A.
Deposit date:2011-08-03
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Mechanism of disruption of the Amt-GlnK complex by P(II)-mediated sensing of 2-oxoglutarate.
Plos One, 6, 2011
3TA1
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BU of 3ta1 by Molmil
A. fulgidus GlnK3, MgADP complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Nitrogen regulatory protein P-II (GlnB-3)
Authors:Maier, S, Schleberger, P, Lue, W, Wacker, T, Pflueger, T, Litz, C, Andrade, S.L.A.
Deposit date:2011-08-03
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of disruption of the Amt-GlnK complex by P(II)-mediated sensing of 2-oxoglutarate.
Plos One, 6, 2011
3TA0
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BU of 3ta0 by Molmil
A. fulgidus GlnK3, MgATP complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Nitrogen regulatory protein P-II (GlnB-3)
Authors:Maier, S, Schleberger, P, Lue, W, Wacker, T, Pflueger, T, Litz, C, Andrade, S.L.A.
Deposit date:2011-08-03
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of disruption of the Amt-GlnK complex by P(II)-mediated sensing of 2-oxoglutarate.
Plos One, 6, 2011
4FNV
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BU of 4fnv by Molmil
Crystal Structure of Heparinase III
Descriptor: Heparinase III protein, heparitin sulfate lyase
Authors:Dong, W, Ye, S.
Deposit date:2012-06-20
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis of heparan sulfate-specific degradation by heparinase III.
Protein Cell, 3, 2012
6TFM
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BU of 6tfm by Molmil
Frizzled8 CRD
Descriptor: Frizzled-8
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2019-11-14
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.343 Å)
Cite:Antiepileptic Drug Carbamazepine Binds to a Novel Pocket on the Wnt Receptor Frizzled-8.
J.Med.Chem., 63, 2020
6TFB
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BU of 6tfb by Molmil
Carbamazepine binds Frizzled8
Descriptor: Frizzled-8, GLYCEROL, benzo[b][1]benzazepine-11-carboxamide
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2019-11-13
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Antiepileptic Drug Carbamazepine Binds to a Novel Pocket on the Wnt Receptor Frizzled-8.
J.Med.Chem., 63, 2020
6TR5
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BU of 6tr5 by Molmil
Melatonin-Notum complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2019-12-17
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.509 Å)
Cite:Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum.
J. Pineal Res., 68, 2020
6TR7
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BU of 6tr7 by Molmil
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide-Notum complex
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2019-12-17
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum.
J. Pineal Res., 68, 2020
6TR6
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BU of 6tr6 by Molmil
N-acetylserotonin-Notum complex
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2019-12-17
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum.
J. Pineal Res., 68, 2020
6U4J
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BU of 6u4j by Molmil
Crystal structure of IDH1 R132H mutant in complex with FT-2102
Descriptor: 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile, CHLORIDE ION, CITRATE ANION, ...
Authors:Toms, A.V, Lin, J.
Deposit date:2019-08-25
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor.
J.Med.Chem., 63, 2020

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