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5K13
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BU of 5k13 by Molmil
Crystal structure of the RAR alpha ligand-binding domain in complex with an antagonist
Descriptor: 4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1H-pyrazol-3-yl}benzoic acid, Retinoic acid receptor alpha
Authors:Wang, Y, Stout, S.L.
Deposit date:2016-05-17
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of potent and selective retinoic acid receptor gamma (RAR gamma ) antagonists for the treatment of osteoarthritis pain using structure based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
6VWV
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BU of 6vwv by Molmil
Transitional unit cell 2 of adenine riboswitch aptamer crystal phase transition upon ligand binding
Descriptor: ADENINE, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Stagno, J.R, Wang, Y.-X.
Deposit date:2020-02-20
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synchronous RNA conformational changes trigger ordered phase transitions in crystals.
Nat Commun, 12, 2021
4JVD
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BU of 4jvd by Molmil
Crystal structure of PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand NHQ
Descriptor: 2-nonylquinolin-4(1H)-one, Transcriptional regulator MvfR
Authors:Ilangovan, A, Emsley, J, Williams, P.
Deposit date:2013-03-25
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for native agonist and synthetic inhibitor recognition by the Pseudomonas aeruginosa quorum sensing regulator PqsR (MvfR).
Plos Pathog., 9, 2013
4H5D
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BU of 4h5d by Molmil
Crystal structure of human FPPS in ternary complex with YS0470 and inorganic pyrophosphate
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2012-09-18
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Ternary complex structures of human farnesyl pyrophosphate synthase bound with a novel inhibitor and secondary ligands provide insights into the molecular details of the enzyme's active site closure.
Bmc Struct.Biol., 12, 2012
4I4G
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BU of 4i4g by Molmil
Crystal structure of CYP3A4 ligated to oxazole-substituted desoxyritonavir
Descriptor: Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F, Poulos, T.L.
Deposit date:2012-11-27
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.718 Å)
Cite:Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.
J.Med.Chem., 56, 2013
2I0B
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BU of 2i0b by Molmil
Crystal structure of the GluR6 ligand binding core ELKQ mutant dimer at 1.96 Angstroms Resolution
Descriptor: GLUTAMIC ACID, Glutamate receptor, ionotropic kainate 2, ...
Authors:Mayer, M.L.
Deposit date:2006-08-10
Release date:2006-11-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Conformational restriction blocks glutamate receptor desensitization.
Nat.Struct.Mol.Biol., 13, 2006
2I3W
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BU of 2i3w by Molmil
Measurement of conformational changes accompanying desensitization in an ionotropic glutamate receptor: Structure of S729C mutant
Descriptor: GLUTAMATE RECEPTOR SUBUNIT 2, GLUTAMIC ACID
Authors:Armstrong, N, Jasti, J, Beich-Frandsen, M, Gouaux, E.
Deposit date:2006-08-21
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Measurement of Conformational Changes accompanying Desensitization in an Ionotropic Glutamate Receptor.
Cell(Cambridge,Mass.), 127, 2006
6VWT
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BU of 6vwt by Molmil
Transitional unit cell 1 of adenine riboswitch aptamer crystal phase transition upon ligand binding
Descriptor: ADENINE, MAGNESIUM ION, adenine riboswitch aptamer variant
Authors:Stagno, J.R, Wang, Y.-X.
Deposit date:2020-02-20
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Synchronous RNA conformational changes trigger ordered phase transitions in crystals.
Nat Commun, 12, 2021
6VXK
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BU of 6vxk by Molmil
Cryo-EM Structure of the full-length A39R/PlexinC1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-C1, Semaphorin-like protein 139
Authors:Kuo, Y.-C, Chen, H, Shang, G, Uchikawa, E, Tian, H, Bai, X, Zhang, X.
Deposit date:2020-02-22
Release date:2020-04-29
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of the PlexinC1/A39R complex reveals inter-domain interactions critical for ligand-induced activation.
Nat Commun, 11, 2020
3UBE
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BU of 3ube by Molmil
Influenza hemagglutinin from the 2009 pandemic in complex with ligand LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
Authors:Xu, R, Wilson, I.A.
Deposit date:2011-10-24
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Characterization of the Hemagglutinin Receptor Specificity from the 2009 H1N1 Influenza Pandemic.
J.Virol., 86, 2012
8IEJ
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BU of 8iej by Molmil
RNF20-RNF40/hRad6A-Ub/nucleosome complex
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ...
Authors:Ai, H, Deng, Z, Sun, M, Du, Y, Pan, M, Liu, L.
Deposit date:2023-02-15
Release date:2023-09-06
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Mechanistic insights into nucleosomal H2B monoubiquitylation mediated by yeast Bre1-Rad6 and its human homolog RNF20/RNF40-hRAD6A.
Mol.Cell, 83, 2023
2I3V
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BU of 2i3v by Molmil
Measurement of conformational changes accompanying desensitization in an ionotropic glutamate receptor: Structure of G725C mutant
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, ZINC ION
Authors:Armstrong, N, Jasti, J, Beich-Frandsen, M, Gouaux, E.
Deposit date:2006-08-21
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Measurement of Conformational Changes accompanying Desensitization in an Ionotropic Glutamate Receptor.
Cell(Cambridge,Mass.), 127, 2006
8D2V
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BU of 8d2v by Molmil
Zebrafish MFSD2A isoform B in inward open ligand 1B conformation
Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ...
Authors:Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T.
Deposit date:2022-05-30
Release date:2023-05-10
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
8D2U
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BU of 8d2u by Molmil
Zebrafish MFSD2A isoform B in inward open ligand 1A conformation
Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ...
Authors:Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T.
Deposit date:2022-05-30
Release date:2023-05-10
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
8D2S
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BU of 8d2s by Molmil
Zebrafish MFSD2A isoform B in inward open ligand bound conformation
Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ...
Authors:Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T.
Deposit date:2022-05-30
Release date:2023-05-10
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
8D2W
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BU of 8d2w by Molmil
Zebrafish MFSD2A isoform B in inward open ligand 2B conformation
Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ...
Authors:Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T.
Deposit date:2022-05-30
Release date:2023-05-10
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
8D2X
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BU of 8d2x by Molmil
Zebrafish MFSD2A isoform B in inward open ligand 3C conformation
Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ...
Authors:Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T.
Deposit date:2022-05-30
Release date:2023-05-10
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
7CQW
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BU of 7cqw by Molmil
GmaS/ADP complex-Conformation 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Type III glutamate--ammonia ligase
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2020-08-11
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
4I4H
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BU of 4i4h by Molmil
Crystal structure of CYP3A4 ligated to pyridine-substituted desoxyritonavir
Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, pyridin-3-ylmethyl [(2R,5S)-5-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
Authors:Sevrioukova, I.F, Poulos, T.L.
Deposit date:2012-11-27
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.
J.Med.Chem., 56, 2013
6GVW
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BU of 6gvw by Molmil
Crystal structure of the BRCA1-A complex
Descriptor: BRCA1-A complex subunit Abraxas 1, BRCA1-A complex subunit RAP80, BRISC and BRCA1-A complex member 1, ...
Authors:Bunker, R.D, Rabl, J, Thoma, N.H.
Deposit date:2018-06-21
Release date:2019-07-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Structural Basis of BRCC36 Function in DNA Repair and Immune Regulation.
Mol.Cell, 75, 2019
6XZO
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BU of 6xzo by Molmil
Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-bromo-2-hydroxybenzyl)amino)ethyl)ureido) benzenesulfonamide
Descriptor: 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
Authors:Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
Deposit date:2020-02-05
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
4H5E
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BU of 4h5e by Molmil
Crystal structure of human FPPS in ternary complex with YS0470 and isopentenyl pyrophosphate
Descriptor: Farnesyl pyrophosphate synthase, ISOPENTYL PYROPHOSPHATE, MAGNESIUM ION, ...
Authors:Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2012-09-18
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Ternary complex structures of human farnesyl pyrophosphate synthase bound with a novel inhibitor and secondary ligands provide insights into the molecular details of the enzyme's active site closure.
Bmc Struct.Biol., 12, 2012
6X4T
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BU of 6x4t by Molmil
Crystal structure of ICOS-L in complex with Prezalumab and VNAR domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Rujas, E, Sicard, T, Julien, J.P.
Deposit date:2020-05-23
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural characterization of the ICOS/ICOS-L immune complex reveals high molecular mimicry by therapeutic antibodies.
Nat Commun, 11, 2020
7CQU
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BU of 7cqu by Molmil
GmaS/ADP/MetSox-P complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, MAGNESIUM ION, ...
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2020-08-11
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
4H5C
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BU of 4h5c by Molmil
Crystal structure of human FPPS in ternary complex with YS0470 and inorganic phosphate
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2012-09-18
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Ternary complex structures of human farnesyl pyrophosphate synthase bound with a novel inhibitor and secondary ligands provide insights into the molecular details of the enzyme's active site closure.
Bmc Struct.Biol., 12, 2012

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數據於2024-07-31公開中

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