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8WQB
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BU of 8wqb by Molmil
Cryo-EM structure of CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CCDC89 (conformation 2)
Descriptor: Coiled-coil domain-containing protein 89, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024
8WQA
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BU of 8wqa by Molmil
Cryo-EM structure of CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CCDC89 (conformation 1)
Descriptor: Coiled-coil domain-containing protein 89, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024
8WQH
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BU of 8wqh by Molmil
cryo-EM structure of neddylated CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CCDC89 (conformation 2)
Descriptor: Coiled-coil domain-containing protein 89, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024
4C9Z
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BU of 4c9z by Molmil
Crystal structure of Siah1 at 1.95 A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE SIAH1, ...
Authors:Rimsa, V, Eadsforth, T.C, Hunter, W.N.
Deposit date:2013-10-04
Release date:2013-10-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Two High-Resolution Structures of the Human E3 Ubiquitin Ligase Siah1.
Acta Crystallogr.,Sect.F, 96, 2013
4PHY
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BU of 4phy by Molmil
Functional conservation despite structural divergence in ligand-responsive RNA switches
Descriptor: ACETATE ION, MAGNESIUM ION, RNA (26-MER), ...
Authors:Boerneke, M.A, Dibrov, S.M, Hermann, T.H.
Deposit date:2014-05-07
Release date:2015-02-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Functional conservation despite structural divergence in ligand-responsive RNA switches.
Proc.Natl.Acad.Sci.USA, 111, 2014
7NRV
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BU of 7nrv by Molmil
Paired helical filament from Alzheimer's disease with PET ligand APN-1607
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M.
Deposit date:2021-03-04
Release date:2021-03-24
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
7NRX
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BU of 7nrx by Molmil
Straight filament from Alzheimer's disease with PET ligand APN-1607
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M.
Deposit date:2021-03-04
Release date:2021-03-24
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
7NPC
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BU of 7npc by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM156
Descriptor: 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2021-02-26
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
7NP5
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BU of 7np5 by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM216
Descriptor: 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid, Nuclear receptor ROR-gamma
Authors:Oerlemans, G.J.M, Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2021-02-26
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
6EW8
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BU of 6ew8 by Molmil
Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand
Descriptor: B-cell lymphoma 6 protein, CHLORIDE ION, anilinopyrimidine ligand
Authors:Robb, G, Ferguson, A, Hargreaves, D.
Deposit date:2017-11-03
Release date:2018-10-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6.
ACS Chem. Biol., 13, 2018
6UEC
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BU of 6uec by Molmil
Pseudomonas aeruginosa LpxD Complex Structure with Ligand
Descriptor: 4-(naphthalen-1-yl)-4-oxobutanoic acid, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Chen, Y, Kroeck, K, Sacco, M.
Deposit date:2019-09-20
Release date:2019-11-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
7GY4
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BU of 7gy4 by Molmil
Crystal Structure of HSP72 in complex with ligand 10 at 1.14 MGy X-ray dose.
Descriptor: 1,2-ETHANEDIOL, 8-bromoadenosine, Heat shock 70 kDa protein 1A, ...
Authors:Cabry, M, Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M.
Deposit date:2024-01-12
Release date:2024-12-11
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
2ZXM
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BU of 2zxm by Molmil
A New Class of Vitamin D Receptor Ligands that Induce Structural Rearrangement of the Ligand-binding Pocket
Descriptor: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Nakabayashi, M, Ikura, T, Ito, N.
Deposit date:2009-01-04
Release date:2009-02-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:A New Class of Vitamin D Analogues that Induce Structural Rearrangement of the Ligand-Binding Pocket of the Receptor
J.Med.Chem., 52, 2009
4P97
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BU of 4p97 by Molmil
Functional conservation despite structural divergence in ligand-responsive RNA switches
Descriptor: CALCIUM ION, RNA (5'-R(*CP*GP*AP*GP*AP*GP*GP*AP*CP*GP*G)-3'), RNA (5'-R(*CP*GP*UP*CP*UP*AP*CP*CP*CP*AP*CP*CP*UP*CP*GP*C)-3')
Authors:Boerneke, M.A, Dibrov, S.M, Hermann, T.H.
Deposit date:2014-04-02
Release date:2015-03-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Functional conservation despite structural divergence in ligand-responsive RNA switches.
Proc.Natl.Acad.Sci.USA, 111, 2014
6VOD
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BU of 6vod by Molmil
HIV-1 wild type protease with GRL-052-16A, a tricyclic cyclohexane fused tetrahydrofuranofuran (CHf-THF) derivative as the P2 ligand
Descriptor: (1R,3aS,5R,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2020-01-30
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies.
J.Med.Chem., 63, 2020
2OH8
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BU of 2oh8 by Molmil
Myoglobin cavity mutant I28W
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Phillips Jr, G.N, Soman, J, Olson, J.S.
Deposit date:2007-01-09
Release date:2007-01-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand pathways in myoglobin: A review of trp cavity mutations.
Iubmb Life, 59, 2007
2OHA
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BU of 2oha by Molmil
Myoglobin cavity mutant F138W
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Phillips Jr, G.N, Soman, J, Olson, J.S.
Deposit date:2007-01-09
Release date:2007-01-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand pathways in myoglobin: A review of trp cavity mutations.
Iubmb Life, 59, 2007
3PAR
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BU of 3par by Molmil
Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) in the absence of ligand
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein A, SULFATE ION
Authors:Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A.
Deposit date:2010-10-19
Release date:2010-11-03
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
2ZXN
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BU of 2zxn by Molmil
A New Class of Vitamin D Receptor Ligands that Induce Structural Rearrangement of the Ligand-binding Pocket
Descriptor: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3S)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Nakabayashi, M, Ikura, T, Ito, N.
Deposit date:2009-01-04
Release date:2009-02-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A New Class of Vitamin D Analogues that Induce Structural Rearrangement of the Ligand-Binding Pocket of the Receptor
J.Med.Chem., 52, 2009
2Z01
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BU of 2z01 by Molmil
Crystal structure of phosphoribosylaminoimidazole synthetase from Geobacillus kaustophilus
Descriptor: Phosphoribosylformylglycinamidine cyclo-ligase
Authors:Kanagawa, M, Baba, S, Kuramitsu, S, Yokoyama, S, Kawai, G, Sampei, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-05-06
Release date:2007-11-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures and ligand binding of PurM proteins from Thermus thermophilus and Geobacillus kaustophilus
J.Biochem., 2015
1K4W
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BU of 1k4w by Molmil
X-ray structure of the orphan nuclear receptor ROR beta ligand-binding domain in the active conformation
Descriptor: Nuclear receptor ROR-beta, STEARIC ACID, steroid receptor coactivator-1
Authors:Stehlin, C, Wurtz, J.M, Steinmetz, A, Greiner, E, Schuele, R, Moras, D, Renaud, J.P.
Deposit date:2001-10-09
Release date:2002-04-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structure of the orphan nuclear receptor RORbeta ligand-binding domain in the active conformation.
EMBO J., 20, 2001
7GV5
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BU of 7gv5 by Molmil
Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 17.50 MGy X-ray dose.
Descriptor: 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ...
Authors:Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M.
Deposit date:2024-01-09
Release date:2024-12-04
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
7GVC
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BU of 7gvc by Molmil
Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 8.70 MGy X-ray dose
Descriptor: 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ...
Authors:Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M.
Deposit date:2024-01-09
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
7GV2
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BU of 7gv2 by Molmil
Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 13.75 MGy X-ray dose.
Descriptor: 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ...
Authors:Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M.
Deposit date:2024-01-09
Release date:2024-12-04
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
7GUW
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BU of 7guw by Molmil
Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 6.25 MGy X-ray dose.
Descriptor: 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ...
Authors:Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M.
Deposit date:2024-01-09
Release date:2024-12-04
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024

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