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7CS6
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BU of 7cs6 by Molmil
IiPLR1 with NADP+ and (-)lariciresinol
Descriptor: 4-[[(3S,4S,5R)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.20139647 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CS2
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BU of 7cs2 by Molmil
Apo structure of dimeric IiPLR1
Descriptor: Pinoresinol-lariciresinol reductase
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68800473 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CS8
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BU of 7cs8 by Molmil
IiPLR1 with NADP+ and (-)secoisolariciresinol
Descriptor: (2R,3R)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.60003257 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CSC
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BU of 7csc by Molmil
AtPrR1 with NADP+ and (-)pinoresinol
Descriptor: 4-[(3R,3aS,6R,6aS)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 1
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5151186 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CSF
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BU of 7csf by Molmil
AtPrR1 with NADP+ and (-)secoisolariciresinol
Descriptor: (2R,3R)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 1
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98241806 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CS5
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BU of 7cs5 by Molmil
IiPLR1 with NADP+ and (-)pinoresinol
Descriptor: 4-[(3R,3aS,6R,6aS)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.18993235 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CS3
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BU of 7cs3 by Molmil
IiPLR1 with NADP+
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.40021849 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CS9
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BU of 7cs9 by Molmil
AtPrR1 in apo form
Descriptor: Pinoresinol reductase 1
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8011415 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CSG
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BU of 7csg by Molmil
AtPrR2 in apo form
Descriptor: Pinoresinol reductase 2
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99689388 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CSE
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BU of 7cse by Molmil
AtPrR1 with NADP+ and (-)lariciresinol
Descriptor: 4-[[(3S,4S,5R)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 1
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.44019055 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CS4
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BU of 7cs4 by Molmil
IiPLR1 with NADP+ and (+)pinoresinol
Descriptor: 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.30509257 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CSA
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BU of 7csa by Molmil
AtPrR1 with NADP+
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 1
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.96212828 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CSB
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BU of 7csb by Molmil
AtPrR1 with NADP+ and (+)pinoresinol
Descriptor: 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 1
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.002017 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CSH
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BU of 7csh by Molmil
AtPrR2 with NADP+ and (+)pinoresinol
Descriptor: 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 2
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.590775 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
4M84
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BU of 4m84 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
Descriptor: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2013-08-12
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
6DBN
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BU of 6dbn by Molmil
Jak1 with compound 23
Descriptor: Tyrosine-protein kinase JAK1, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
Authors:Vajdos, F.F.
Deposit date:2018-05-03
Release date:2018-08-29
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
4ZFC
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BU of 4zfc by Molmil
Crystal structure of AKR1C3 complexed with glicazide
Descriptor: Aldo-keto reductase family 1 member C3, N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhao, Y, Zhrng, X, Hu, X.
Deposit date:2015-04-21
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
7CS7
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BU of 7cs7 by Molmil
IiPLR1 with NADP+ and (+)secoisolariciresinol
Descriptor: (2S,3S)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.297653 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
5HDM
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BU of 5hdm by Molmil
Crystal structure of Arabidopsis thaliana glutamate-1-semialdehyde-2,1-aminomutase
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Glutamate-1-semialdehyde 2,1-aminomutase 1, chloroplastic, ...
Authors:Song, Y, Pu, H, Liu, L.
Deposit date:2016-01-05
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of glutamate-1-semialdehyde-2,1-aminomutase from Arabidopsis thaliana.
Acta Crystallogr.,Sect.F, 72, 2016
7MFH
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BU of 7mfh by Molmil
Crystal structure of BIO-32546 bound mouse Autotaxin
Descriptor: (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chodaparambil, J.V.
Deposit date:2021-04-09
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546.
Acs Med.Chem.Lett., 12, 2021
6KBE
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BU of 6kbe by Molmil
Structure of Deubiquitinase
Descriptor: Polyubiquitin-C, Ubiquitin thioesterase
Authors:Lu, L.N, Liu, L, Wang, F.
Deposit date:2019-06-24
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.339 Å)
Cite:Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
6K9P
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BU of 6k9p by Molmil
Structure of Deubiquitinase
Descriptor: Ubiquitin, Ubiquitin thioesterase
Authors:Lu, L.N, Liu, L, Wang, F.
Deposit date:2019-06-17
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
6JQH
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BU of 6jqh by Molmil
Crystal structure of MaDA
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MaDA
Authors:Du, X.X, Lei, X.G.
Deposit date:2019-03-31
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis.
Nat.Chem., 12, 2020
5JYK
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BU of 5jyk by Molmil
Deg9 crystal under 289K
Descriptor: GLYCEROL, Protease Do-like 9
Authors:Ouyang, M, Zhang, L.X.
Deposit date:2016-05-14
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
8TB7
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BU of 8tb7 by Molmil
Cryo-EM Structure of GPR61-
Descriptor: 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide, Fab hinge-binding nanobody, Fab24 BAK5 heavy chain, ...
Authors:Lees, J.A, Dias, J.M, Han, S.
Deposit date:2023-06-28
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism.
Nat Commun, 14, 2023

222624

數據於2024-07-17公開中

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