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8Q2W
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BU of 8q2w by Molmil
Crystal structure of YTHDC1 in complex with Compound 8 (CS_01)
Descriptor: 2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q32
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BU of 8q32 by Molmil
Crystal structure of YTHDC1 in complex with Compound 13 (ZA_364)
Descriptor: SULFATE ION, YTH domain-containing protein 1, ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4U
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BU of 8q4u by Molmil
Crystal structure of YTHDC1 in complex with Compound 36 (ZA_540b)
Descriptor: 9-[(3-chlorophenyl)methyl]-2-fluoranyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q38
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BU of 8q38 by Molmil
Crystal structure of YTHDC1 in complex with Compound 19 (ZA_347)
Descriptor: SULFATE ION, YTH domain-containing protein 1, methyl 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoate
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4Q
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BU of 8q4q by Molmil
Crystal structure of YTHDC1 in complex with Compound 29 (ZA_337)
Descriptor: 4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q2T
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BU of 8q2t by Molmil
Crystal structure of YTHDC1 in complex with Compound 5 (ZA_236)
Descriptor: 2-chloranyl-~{N}-methyl-9-(phenylmethyl)purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4R
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BU of 8q4r by Molmil
Crystal structure of YTHDC1 in complex with Compound 30 (ZA_326)
Descriptor: SULFATE ION, YTH domain-containing protein 1, [4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q33
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BU of 8q33 by Molmil
Crystal structure of YTHDC1 in complex with Compound 15 (ZA_343)
Descriptor: SULFATE ION, YTH domain-containing protein 1, ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4V
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BU of 8q4v by Molmil
Crystal structure of YTHDC1 in complex with Compound 37 (ZA_356)
Descriptor: 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q31
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BU of 8q31 by Molmil
Crystal structure of YTHDC1 in complex with Compound 12 (ZA_341)
Descriptor: 9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q2Y
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BU of 8q2y by Molmil
Crystal structure of YTHDC1 in complex with Compound 11 (ZA_572)
Descriptor: 2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8SVS
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BU of 8svs by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-328
Descriptor: (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1
Authors:Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
Deposit date:2023-05-17
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVT
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BU of 8svt by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-331
Descriptor: DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ...
Authors:Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
Deposit date:2023-05-17
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVQ
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BU of 8svq by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-312
Descriptor: (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
Authors:Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
Deposit date:2023-05-17
Release date:2024-05-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVX
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BU of 8svx by Molmil
Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in complex with SJPYT-331
Descriptor: DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ...
Authors:Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
Deposit date:2023-05-17
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVO
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BU of 8svo by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-310
Descriptor: (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
Authors:Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
Deposit date:2023-05-17
Release date:2024-05-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVN
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BU of 8svn by Molmil
Crystal structure of the apo form of pregnane X receptor ligand binding domain
Descriptor: Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
Authors:Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
Deposit date:2023-05-17
Release date:2024-05-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
2I2H
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BU of 2i2h by Molmil
NMR structure of TPC3 in TFE
Descriptor: signaling peptide TCP3
Authors:Syvitski, R.T, Jakeman, D.L, Li, Y.
Deposit date:2006-08-16
Release date:2006-10-17
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Structure-Activity Analysis of Quorum-Sensing Signaling Peptides from Streptococcus mutans.
J.Bacteriol., 189, 2007
1RB0
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BU of 1rb0 by Molmil
CRYSTAL STRUCTURE OF A BINARY COMPLEX OF E. COLI HPPK WITH 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE AT 1.35 ANGSTROM RESOLUTION
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE
Authors:Blaszczyk, J, Ji, X.
Deposit date:2003-10-31
Release date:2004-11-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Reaction trajectory of pyrophosphoryl transfer catalyzed by 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Structure, 12, 2004
8K2D
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BU of 8k2d by Molmil
Cryo-EM structure of the yeast 80S ribosome with tigecycline, eEF2, Stm1 and eIF5A
Descriptor: 18S rRNA, 23S rRNA, 40S ribosomal protein S1-A, ...
Authors:Buschauer, R, Beckmann, R, Cheng, J.
Deposit date:2023-07-12
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
2O90
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BU of 2o90 by Molmil
Atomic resolution crystal structure of E.coli dihydroneopterin aldolase in complex with neopterin
Descriptor: Dihydroneopterin aldolase, L-NEOPTERIN
Authors:Blaszczyk, J, Ji, X, Yan, H.
Deposit date:2006-12-12
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Crystallographic and molecular dynamics simulation analysis of Escherichia coli dihydroneopterin aldolase.
Cell Biosci, 4, 2014
1UP7
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BU of 1up7 by Molmil
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.4 Angstrom resolution in the tetragonal form with NAD and glucose-6-phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J.
Deposit date:2003-09-29
Release date:2004-11-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides
J.Mol.Biol., 346, 2005
8UR3
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BU of 8ur3 by Molmil
Cryo-EM reconstruction of Staphylococcus aureus Oleate hydratase (OhyA) dimer with an ordered C-terminal membrane-association domain
Descriptor: Oleate hydratase
Authors:Oldham, M.L, Qayyum, M.Z.
Deposit date:2023-10-25
Release date:2024-01-10
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:The carboxy terminus causes interfacial assembly of oleate hydratase on a membrane bilayer.
J.Biol.Chem., 300, 2024
8UR6
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BU of 8ur6 by Molmil
Cryo-EM reconstruction of Staphylococcus aureus oleate hydratase (OhyA) dimer with a disordered C-terminal membrane-association domain
Descriptor: Oleate hydratase
Authors:Oldham, M.L, Qayyum, M.Z.
Deposit date:2023-10-25
Release date:2024-01-10
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:The carboxy terminus causes interfacial assembly of oleate hydratase on a membrane bilayer.
J.Biol.Chem., 300, 2024
1UP4
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BU of 1up4 by Molmil
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.85 Angstrom resolution in the monoclinic form
Descriptor: 6-PHOSPHO-BETA-GLUCOSIDASE
Authors:Varrot, A, Yip, V, Withers, S.G, Davies, G.J.
Deposit date:2003-09-26
Release date:2004-11-18
Last modified:2016-12-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides
J.Mol.Biol., 346, 2005

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PDB entries from 2024-07-17

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