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5VB5
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BU of 5vb5 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
Descriptor: N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.226 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VB3
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BU of 5vb3 by Molmil
X-ray structure of nuclear receptor ROR-gammat Ligand Binding Domain + SRC2 peptide
Descriptor: Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VB7
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BU of 5vb7 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an agonist and SRC2 peptide
Descriptor: N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.335 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
7Z09
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BU of 7z09 by Molmil
Crystal structure of the ground state of bacteriorhodopsin at 1.05 Angstrom resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin, EICOSANE, ...
Authors:Borshchevskiy, V, Kovalev, K, Round, E, Efremov, R, Bourenkov, G, Gordeliy, V.
Deposit date:2022-02-22
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:True-atomic-resolution insights into the structure and functional role of linear chains and low-barrier hydrogen bonds in proteins.
Nat.Struct.Mol.Biol., 29, 2022
7Z0A
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BU of 7z0a by Molmil
Crystal structure of the ground state of bacteriorhodopsin at 1.22 Angstrom resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin, EICOSANE, ...
Authors:Borshchevskiy, V, Kovalev, K, Round, E, Efremov, R, Bourenkov, G, Gordeliy, V.
Deposit date:2022-02-22
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:True-atomic-resolution insights into the structure and functional role of linear chains and low-barrier hydrogen bonds in proteins.
Nat.Struct.Mol.Biol., 29, 2022
7Z0D
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BU of 7z0d by Molmil
Crystal structure of the L state of bacteriorhodopsin at 1.20 Angstrom resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin, EICOSANE, ...
Authors:Borshchevskiy, V, Kovalev, K, Round, E, Efremov, R, Bourenkov, G, Gordeliy, V.
Deposit date:2022-02-22
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:True-atomic-resolution insights into the structure and functional role of linear chains and low-barrier hydrogen bonds in proteins.
Nat.Struct.Mol.Biol., 29, 2022
7Z0C
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BU of 7z0c by Molmil
Crystal structure of the K state of bacteriorhodopsin at 1.53 Angstrom resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin, EICOSANE, ...
Authors:Borshchevskiy, V, Kovalev, K, Round, E, Efremov, R, Bourenkov, G, Gordeliy, V.
Deposit date:2022-02-22
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:True-atomic-resolution insights into the structure and functional role of linear chains and low-barrier hydrogen bonds in proteins.
Nat.Struct.Mol.Biol., 29, 2022
7Z0E
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BU of 7z0e by Molmil
Crystal structure of the M state of bacteriorhodopsin at 1.22 Angstrom resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene, 2,3-DI-PHYTANYL-GLYCEROL, ...
Authors:Borshchevskiy, V, Kovalev, K, Round, E, Efremov, R, Bourenkov, G, Gordeliy, V.
Deposit date:2022-02-22
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:True-atomic-resolution insights into the structure and functional role of linear chains and low-barrier hydrogen bonds in proteins.
Nat.Struct.Mol.Biol., 29, 2022
3NTE
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BU of 3nte by Molmil
Crystal Structure of the Wild-type Full-Length HIV-1 Capsid Protein
Descriptor: FE (III) ION, HIV-1 capsid protein, IODIDE ION, ...
Authors:Betts, L, Yeh, J.I.
Deposit date:2010-07-03
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the HIV-1 full-length capsid protein in a conformationally trapped unassembled state induced by small-molecule binding.
J.Mol.Biol., 406, 2011
8ADE
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BU of 8ade by Molmil
Wild type ATTR amyloid fibril from senile systemic amyloidosis
Descriptor: Transthyretin
Authors:Schmidt, M, Steinebrei, M.
Deposit date:2022-07-08
Release date:2022-11-23
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Cryo-EM structure of an ATTRwt amyloid fibril from systemic non-hereditary transthyretin amyloidosis.
Nat Commun, 13, 2022
2R3Y
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BU of 2r3y by Molmil
Crystal structure of the DegS protease in complex with the YWF activating peptide
Descriptor: Protease degS, Synthetic peptide YWF
Authors:Clausen, T, Hasselblatt, H.
Deposit date:2007-08-30
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of the sigmaE stress response by DegS: how the PDZ domain keeps the protease inactive in the resting state and allows integration of different OMP-derived stress signals upon folding stress.
Genes Dev., 21, 2007
4B3N
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BU of 4b3n by Molmil
Crystal structure of rhesus TRIM5alpha PRY/SPRY domain
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MALTOSE-BINDING PERIPLASMIC PROTEIN, TRIPARTITE MOTIF-CONTAINING PROTEIN 5, ...
Authors:Yang, H, Ji, X, Zhao, Q, Xiong, Y.
Deposit date:2012-07-25
Release date:2012-10-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural Insight Into HIV-1 Capsid Recognition by Rhesus Trim5Alpha
Proc.Natl.Acad.Sci.USA, 109, 2012
4RQZ
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BU of 4rqz by Molmil
re-refinement of 1soz, Crystal Structure of DegS protease in complex with an activating peptide
Descriptor: Protease degS, activating peptide
Authors:Sauer, R.T, Grant, R.A.
Deposit date:2014-11-05
Release date:2015-03-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Conserved Activation Cluster Is Required for Allosteric Communication in HtrA-Family Proteases.
Structure, 23, 2015
4RR0
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BU of 4rr0 by Molmil
re-refined 1vcw, CRYSTAL STRUCTURE OF DEGS AFTER BACKSOAKING THE ACTIVATING PEPTIDE
Descriptor: Protease degS
Authors:Sauer, R.T, Grant, R.A.
Deposit date:2014-11-05
Release date:2015-03-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.054 Å)
Cite:A Conserved Activation Cluster Is Required for Allosteric Communication in HtrA-Family Proteases.
Structure, 23, 2015
4RR1
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BU of 4rr1 by Molmil
re-refinement of entry 1sot, Crystal Structure of the DegS stress sensor
Descriptor: NICKEL (II) ION, PHOSPHATE ION, Protease degS
Authors:Sauer, R.T, Grant, R.A.
Deposit date:2014-11-05
Release date:2015-03-11
Last modified:2015-03-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Conserved Activation Cluster Is Required for Allosteric Communication in HtrA-Family Proteases.
Structure, 23, 2015
2R3U
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BU of 2r3u by Molmil
Crystal structure of the PDZ deletion mutant of DegS
Descriptor: Protease degS
Authors:Clausen, T, Kurzbauer, R.
Deposit date:2007-08-30
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Regulation of the sigmaE stress response by DegS: how the PDZ domain keeps the protease inactive in the resting state and allows integration of different OMP-derived stress signals upon folding stress.
Genes Dev., 21, 2007
2KOD
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BU of 2kod by Molmil
A high-resolution NMR structure of the dimeric C-terminal domain of HIV-1 CA
Descriptor: HIV-1 CA C-terminal domain
Authors:Byeon, I.-J.L, Jung, J, Ahn, J, concel, J, Gronenborn, A.M.
Deposit date:2009-09-18
Release date:2009-11-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural convergence between Cryo-EM and NMR reveals intersubunit interactions critical for HIV-1 capsid function.
Cell(Cambridge,Mass.), 139, 2009
5ONB
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BU of 5onb by Molmil
Drosophila Bag-of-marbles CBM peptide bound to human CAF40
Descriptor: CCR4-NOT transcription complex subunit 9, GLYCEROL, Protein bag-of-marbles
Authors:Raisch, T, Sgromo, A, Backhaus, C, Izaurralde, E, Weichenrieder, O.
Deposit date:2017-08-03
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:DrosophilaBag-of-marbles directly interacts with the CAF40 subunit of the CCR4-NOT complex to elicit repression of mRNA targets.
RNA, 24, 2018
5ONA
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BU of 5ona by Molmil
Drosophila Bag-of-marbles CBM peptide bound to human CAF40-CNOT1
Descriptor: CCR4-NOT transcription complex subunit 1, CCR4-NOT transcription complex subunit 9, CHLORIDE ION, ...
Authors:Raisch, T, Sgromo, A, Backhaus, C, Izaurralde, E, Weichenrieder, O.
Deposit date:2017-08-03
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:DrosophilaBag-of-marbles directly interacts with the CAF40 subunit of the CCR4-NOT complex to elicit repression of mRNA targets.
RNA, 24, 2018
5OIQ
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BU of 5oiq by Molmil
InhA (T2A mutant) complexed with 2,6-dimethyl-3-phenylpyridin-4(1H)-one
Descriptor: 2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIN
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BU of 5oin by Molmil
InhA (T2A mutant) complexed with N-(1-(pyrimidin-2-yl)piperidin-4-yl)acetamide
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ~{N}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIC
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BU of 5oic by Molmil
InhA (T2A mutant) complexed with (4-((1H-pyrazol-1-yl)methyl)phenyl)methanol
Descriptor: 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Convery, M.A.
Deposit date:2017-07-18
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIO
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BU of 5oio by Molmil
InhA (T2A mutant) complexed with 5-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-N-ethyl-1,3,4-thiadiazol-2-amine
Descriptor: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIM
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BU of 5oim by Molmil
InhA (T2A mutant) complexed with ethyl 2-methyl-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate
Descriptor: 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIT
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BU of 5oit by Molmil
InhA (T2A mutant) complexed with 5-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine
Descriptor: 5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018

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