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6Q7A
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BU of 6q7a by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 4 AT 2.2A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole, Nuclear receptor ROR-gamma
Authors:Kallen, J.
Deposit date:2018-12-13
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6W1J
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BU of 6w1j by Molmil
Cryo-EM structure of 5HT3A receptor in presence of Alosetron
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(4-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
Authors:Basak, S, Chakrapani, S.
Deposit date:2020-03-04
Release date:2021-01-13
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:High-resolution structures of multiple 5-HT 3A R-setron complexes reveal a novel mechanism of competitive inhibition.
Elife, 9, 2020
6Q6O
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BU of 6q6o by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
Authors:Kallen, J.
Deposit date:2018-12-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
7YNW
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BU of 7ynw by Molmil
Crystal structure of O-(2-nitrobenzyl)-L-tyrosine-tRNA sythetase in complex with O-(2-nitrobenzyl)-L-tyrosine
Descriptor: (2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid, Tyrosine--tRNA ligase
Authors:Hosaka, T, Shirouzu, M.
Deposit date:2022-08-01
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal Structure of an Archaeal Tyrosyl-tRNA Synthetase Bound to Photocaged L-Tyrosine and Its Potential Application to Time-Resolved X-ray Crystallography.
Int J Mol Sci, 23, 2022
6Q7H
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BU of 6q7h by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid, Nuclear receptor ROR-gamma
Authors:Kallen, J.
Deposit date:2018-12-13
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
2VWG
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BU of 2vwg by Molmil
Haloferax mediterranei glucose dehydrogenase in complex with NADP, Zn and gluconolactone.
Descriptor: D-glucono-1,5-lactone, GLUCOSE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Baker, P.J, Britton, K.L, Fisher, M, Esclapez, J, Pire, C, Bonete, M.J, Ferrer, J, Rice, D.W.
Deposit date:2008-06-24
Release date:2009-01-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Active site dynamics in the zinc-dependent medium chain alcohol dehydrogenase superfamily.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009
2VWH
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BU of 2vwh by Molmil
Haloferax mediterranei glucose dehydrogenase in complex with NADP, Zn and glucose.
Descriptor: GLUCOSE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION, ...
Authors:Baker, P.J, Britton, K.L, Fisher, M, Esclapez, J, Pire, C, Bonete, M.J, Ferrer, J, Rice, D.W.
Deposit date:2008-06-24
Release date:2009-01-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Active site dynamics in the zinc-dependent medium chain alcohol dehydrogenase superfamily.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009
7SQ7
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BU of 7sq7 by Molmil
Cryo-EM structure of mouse PI(3,5)P2-bound TRPML1 channel at 2.41 Angstrom resolution
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, ...
Authors:Gan, N, Han, Y, Jiang, Y.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SQ8
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BU of 7sq8 by Molmil
Cryo-EM structure of mouse apo TRPML1 channel at 2.598 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, SODIUM ION
Authors:Gan, N, Han, Y, Jiang, Y.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.598 Å)
Cite:Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SQ9
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BU of 7sq9 by Molmil
Cryo-EM structure of mouse temsirolimus/PI(3,5)P2-bound TRPML1 channel at 2.11 Angstrom resolution
Descriptor: (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate, (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gan, N, Han, Y, Jiang, Y.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.11 Å)
Cite:Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SQ6
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BU of 7sq6 by Molmil
Cryo-EM structure of mouse agonist ML-SA1-bound TRPML1 channel at 2.32 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, Mucolipin-1, ...
Authors:Gan, N, Han, Y, Jiang, Y.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.32 Å)
Cite:Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
4GVZ
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BU of 4gvz by Molmil
Crystal structure of arginine kinase in complex with D-arginine, MgADP, and nitrate.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, D-ARGININE, ...
Authors:Clark, S.A, Davulcu, O, Chapman, M.S.
Deposit date:2012-08-31
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs.
Biochem.Biophys.Res.Commun., 427, 2012
3MIF
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BU of 3mif by Molmil
Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound carbon monooxide (CO)
Descriptor: CARBON MONOXIDE, COPPER (II) ION, GLYCEROL, ...
Authors:Siebert, X, Chufan, E, Eipper, B.A, Mains, R.E, Amzel, L.M.
Deposit date:2010-04-10
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Differential Reactivity Between the Two Copper Sites of Peptidylglycine alpha-Hydroxylating Monooxygenase (PHM)
J.Am.Chem.Soc., 132, 2010
3MLL
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BU of 3mll by Molmil
Reduced (Cu+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound azide
Descriptor: AZIDE ION, COPPER (II) ION, NICKEL (II) ION, ...
Authors:Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M.
Deposit date:2010-04-16
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Differential reactivity between two copper sites in peptidylglycine alpha-hydroxylating monooxygenase
J.Am.Chem.Soc., 132, 2010
1RX5
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BU of 1rx5 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE
Descriptor: 5,10-DIDEAZATETRAHYDROFOLIC ACID, DIHYDROFOLATE REDUCTASE
Authors:Sawaya, M.R.
Deposit date:1996-09-19
Release date:1997-01-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1RX9
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BU of 1rx9 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)
Descriptor: BETA-MERCAPTOETHANOL, CALCIUM ION, DIHYDROFOLATE REDUCTASE, ...
Authors:Sawaya, M.R, Kraut, J.
Deposit date:1996-10-25
Release date:1997-04-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1RX3
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BU of 1rx3 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)
Descriptor: BETA-MERCAPTOETHANOL, DIHYDROFOLATE REDUCTASE, MANGANESE (II) ION, ...
Authors:Sawaya, M.R.
Deposit date:1996-09-19
Release date:1997-01-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1RB3
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BU of 1rb3 by Molmil
DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)
Descriptor: DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sawaya, M.R, Kraut, J.
Deposit date:1996-11-26
Release date:1997-03-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1REK
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BU of 1rek by Molmil
Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 8
Descriptor: 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE, PENTANAL, cAMP-dependent protein kinase, ...
Authors:Akamine, P, Madhusudan, Brunton, L.L, Ou, H.D, Canaves, J.M, Xuong, N.H, Taylor, S.S.
Deposit date:2003-11-06
Release date:2004-02-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit
Biochemistry, 43, 2004
4MBP
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BU of 4mbp by Molmil
MALTODEXTRIN BINDING PROTEIN WITH BOUND MALTETROSE
Descriptor: MALTODEXTRIN BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Spurlino, J.C, Quiocho, F.A.
Deposit date:1997-08-17
Release date:1998-02-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Extensive features of tight oligosaccharide binding revealed in high-resolution structures of the maltodextrin transport/chemosensory receptor.
Structure, 5, 1997
6Q6M
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BU of 6q6m by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
Authors:Kallen, J.
Deposit date:2018-12-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
5YYN
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BU of 5yyn by Molmil
Crystal structures of E.coli arginyl-trna synthetase (argrs) in complex with substrate TRNA(Arg)
Descriptor: Arginine--tRNA ligase, TRNA
Authors:Zhou, M, Ye, S, Stephen, P, Zhang, R.G, Wang, E.D, Giege, R, Lin, S.X.
Deposit date:2017-12-10
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structures Of E.Coli Arginyl-Trna Synthetase (Argrs) In Complex With Substrates
To Be Published
1RD7
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BU of 1rd7 by Molmil
DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE
Descriptor: BETA-MERCAPTOETHANOL, DIHYDROFOLATE REDUCTASE, FOLIC ACID
Authors:Sawaya, M.R, Kraut, J.
Deposit date:1996-11-01
Release date:1996-12-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
6NHY
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BU of 6nhy by Molmil
Structure of the transmembrane domain of the Death Receptor 5 mutant (G217Y) - Trimer Only
Descriptor: Tumor necrosis factor receptor superfamily member 10B
Authors:Chou, J.J, Pan, L, Zhao, L, Chen, W, Piai, A, Fu, T, Wu, H, Liu, Z.
Deposit date:2018-12-24
Release date:2019-02-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling.
Cell, 176, 2019
6YSA
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BU of 6ysa by Molmil
Crystal structure of Arabidopsis thaliana legumain isoform beta in zymogen state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, SULFATE ION, ...
Authors:Dall, E, Zauner, F.B, Brandstetter, H.
Deposit date:2020-04-21
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and functional studies ofArabidopsis thalianalegumain beta reveal isoform specific mechanisms of activation and substrate recognition.
J.Biol.Chem., 295, 2020

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