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3WT6
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BU of 3wt6 by Molmil
A mixed population of antagonist and agonist binding conformers in a single crystal explains partial agonism against vitamin D receptor: Active vitamin D analogues with 22R-alkyl group
Descriptor: (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Anami, Y, Itoh, T, Yamamoto, K.
Deposit date:2014-04-08
Release date:2014-06-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group.
J.Med.Chem., 57, 2014
3WT7
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BU of 3wt7 by Molmil
Crystal structure of VDR-LBD complexed with 22R-Butyl-2-methylidene-26,27-dimethyl-19,24-dinor-1 ,25-dihydroxyvitamin D3
Descriptor: (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Anami, Y, Itoh, T, Yamamoto, K.
Deposit date:2014-04-08
Release date:2014-06-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group.
J.Med.Chem., 57, 2014
2EAD
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BU of 2ead by Molmil
Crystal structure of 1,2-a-L-fucosidase from Bifidobacterium bifidum in complex with substrate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-fucosidase, CALCIUM ION, ...
Authors:Nagae, M, Tsuchiya, A, Katayama, T, Yamamoto, K, Wakatsuki, S, Kato, R.
Deposit date:2007-01-31
Release date:2007-04-24
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis on the catalytic reaction mechanism of novel 1,2-alpha-L-fucosidase (AFCA) from Bifidobacterium bifidum
J.Biol.Chem., 282, 2007
2EAE
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BU of 2eae by Molmil
Crystal structure of 1,2-a-L-fucosidase from Bifidobacterium bifidum in complexes with products
Descriptor: Alpha-fucosidase, CALCIUM ION, alpha-L-fucopyranose, ...
Authors:Nagae, M, Tsuchiya, A, Katayama, T, Yamamoto, K, Wakatsuki, S, Kato, R.
Deposit date:2007-01-31
Release date:2007-04-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis on the catalytic reaction mechanism of novel 1,2-alpha-L-fucosidase (AFCA) from Bifidobacterium bifidum
J.Biol.Chem., 282, 2007
2EAB
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BU of 2eab by Molmil
Crystal structure of 1,2-a-L-fucosidase from Bifidobacterium bifidum (apo form)
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-fucosidase, ...
Authors:Nagae, M, Tsuchiya, A, Katayama, T, Yamamoto, K, Wakatsuki, S, Kato, R.
Deposit date:2007-01-31
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structural basis on the catalytic reaction mechanism of novel 1,2-alpha-L-fucosidase (AFCA) from Bifidobacterium bifidum
J.Biol.Chem., 282, 2007
2EAC
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BU of 2eac by Molmil
Crystal structure of 1,2-a-L-fucosidase from Bifidobacterium bifidum in complex with deoxyfuconojirimycin
Descriptor: (2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL, Alpha-fucosidase, CALCIUM ION
Authors:Nagae, M, Tsuchiya, A, Katayama, T, Yamamoto, K, Wakatsuki, S, Kato, R.
Deposit date:2007-01-31
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis on the catalytic reaction mechanism of novel 1,2-alpha-L-fucosidase (AFCA) from Bifidobacterium bifidum
J.Biol.Chem., 282, 2007
7EFL
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BU of 7efl by Molmil
Crystal structure of the gastric proton pump K791S in (BYK)E2BeF state
Descriptor: (7R,8R,9S)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Abe, K, Yamamoto, K, Irie, K.
Deposit date:2021-03-22
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Gastric proton pump with two occluded K + engineered with sodium pump-mimetic mutations.
Nat Commun, 12, 2021
7EFM
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BU of 7efm by Molmil
Crystal structure of the gastric proton pump K791S/E820D/Y340N in (BYK)E2BeF state
Descriptor: (7R,8R,9S)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Abe, K, Yamamoto, K, Irie, K.
Deposit date:2021-03-22
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Gastric proton pump with two occluded K + engineered with sodium pump-mimetic mutations.
Nat Commun, 12, 2021
7EFN
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BU of 7efn by Molmil
Crystal structure of the gastric proton pump K791S/E820D/Y340N/E936V in (BYK)E2BeF state
Descriptor: (7R,8R,9S)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Abe, K, Yamamoto, K, Irie, K.
Deposit date:2021-03-22
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Gastric proton pump with two occluded K + engineered with sodium pump-mimetic mutations.
Nat Commun, 12, 2021
6JXI
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BU of 6jxi by Molmil
Rb+-bound E2-MgF state of the gastric proton pump (Tyr799Trp)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Abe, K, Irie, K.
Deposit date:2019-04-23
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A single K + -binding site in the crystal structure of the gastric proton pump.
Elife, 8, 2019
6JXH
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BU of 6jxh by Molmil
K+-bound E2-MgF state of the gastric proton pump (Tyr799Trp)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Abe, K, Irie, K.
Deposit date:2019-04-23
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A single K + -binding site in the crystal structure of the gastric proton pump.
Elife, 8, 2019
6JXJ
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BU of 6jxj by Molmil
Rb+-bound E2-AlF state of the gastric proton pump (Tyr799Trp)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Abe, K, Irie, K.
Deposit date:2019-04-23
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A single K + -binding site in the crystal structure of the gastric proton pump.
Elife, 8, 2019
9B71
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BU of 9b71 by Molmil
Cryo-EM structure of MraY in complex with analogue 3
Descriptor: (2~{S},3~{S})-3-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-[[4-[[[(2~{S})-5-carbamimidamido-2-(hexadecanoylamino)pentanoyl]amino]methyl]phenyl]methylamino]propanoic acid, MraYAA Nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase
Authors:Hao, A, Lee, S.-Y.
Deposit date:2024-03-26
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Development of a natural product optimization strategy for inhibitors against MraY, a promising antibacterial target.
Nat Commun, 15, 2024
9B70
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BU of 9b70 by Molmil
Cryo-EM structure of MraY in complex with analogue 2
Descriptor: (2~{S},3~{S})-3-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2-[[3-[[[(2~{S})-6-azanyl-2-(hexadecanoylamino)hexanoyl]amino]methyl]phenyl]methylamino]-3-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propanoic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase
Authors:Hao, A, Lee, S.-Y.
Deposit date:2024-03-26
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Development of a natural product optimization strategy for inhibitors against MraY, a promising antibacterial target.
Nat Commun, 15, 2024
4JAW
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BU of 4jaw by Molmil
Crystal Structure of Lacto-N-Biosidase from Bifidobacterium bifidum complexed with LNB-thiazoline
Descriptor: 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Lacto-N-biosidase, SULFATE ION, ...
Authors:Ito, T, Katayama, T, Stubbs, K.A, Fushinobu, S.
Deposit date:2013-02-19
Release date:2013-03-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of a glycoside hydrolase family 20 lacto-N-biosidase from Bifidobacterium bifidum
J.Biol.Chem., 288, 2013
6T9C
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BU of 6t9c by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand NV1346 (3a)
Descriptor: 4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2019-10-27
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Insights into PPAR gamma Phosphorylation and Its Inhibition Mechanism.
J.Med.Chem., 63, 2020
5B3V
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BU of 5b3v by Molmil
Crystal structure of biliverdin reductase in complex with biliverdin and NADP+ from Synechocystis sp. PCC 6803
Descriptor: BILIVERDINE IX ALPHA, Biliverdin reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Takao, H, Wada, K.
Deposit date:2016-03-13
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:A substrate-bound structure of cyanobacterial biliverdin reductase identifies stacked substrates as critical for activity
Nat Commun, 8, 2017
5B3U
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BU of 5b3u by Molmil
Crystal structure of biliverdin reductase in complex with NADP+ from Synechocystis sp. PCC 6803
Descriptor: Biliverdin reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION
Authors:Takao, H, Wada, K.
Deposit date:2016-03-13
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:A substrate-bound structure of cyanobacterial biliverdin reductase identifies stacked substrates as critical for activity
Nat Commun, 8, 2017
5B3T
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BU of 5b3t by Molmil
Crystal structure of apo-form biliverdin reductase from Synechocystis sp. PCC 6803
Descriptor: Biliverdin reductase, PHOSPHATE ION
Authors:Takao, H, Wada, K.
Deposit date:2016-03-12
Release date:2017-02-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:A substrate-bound structure of cyanobacterial biliverdin reductase identifies stacked substrates as critical for activity
Nat Commun, 8, 2017
8CXR
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BU of 8cxr by Molmil
Crystal structure of MraY bound to a sphaerimicin analogue
Descriptor: (1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase
Authors:Mashalidis, E.H, Lee, S.Y.
Deposit date:2022-05-22
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Synthesis of macrocyclic nucleoside antibacterials and their interactions with MraY.
Nat Commun, 13, 2022
3UMV
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BU of 3umv by Molmil
Eukaryotic Class II CPD photolyase structure reveals a basis for improved UV-tolerance in plants
Descriptor: 1,2-ETHANEDIOL, Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Arvai, A.S, Hitomi, K, Getzoff, E.D, Tainer, J.A.
Deposit date:2011-11-14
Release date:2011-12-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:Eukaryotic Class II Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals Basis for Improved Ultraviolet Tolerance in Plants.
J.Biol.Chem., 287, 2012
7ET1
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BU of 7et1 by Molmil
Cryo-EM structure of the gastric proton pump K791S/E820D/Y340N/E936V/Y799W mutant in K+-occluded (K+)E2-AlF state
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Abe, K.
Deposit date:2021-05-12
Release date:2021-09-01
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Gastric proton pump with two occluded K + engineered with sodium pump-mimetic mutations.
Nat Commun, 12, 2021
6KME
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BU of 6kme by Molmil
Crystal structure of phytochromobilin synthase from tomato in complex with biliverdin
Descriptor: BILIVERDINE IX ALPHA, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Sugishima, M, Wada, K, Fukuyama, K.
Deposit date:2019-07-31
Release date:2019-12-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of phytochromobilin synthase in complex with biliverdin IX alpha , a key enzyme in the biosynthesis of phytochrome.
J.Biol.Chem., 295, 2020
6KMD
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BU of 6kmd by Molmil
Crystal structure of SeMet-phytochromobilin synthase from tomato in complex with biliverdin
Descriptor: BILIVERDINE IX ALPHA, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Sugishima, M, Wada, K, Fukuyama, K.
Deposit date:2019-07-31
Release date:2019-12-18
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of phytochromobilin synthase in complex with biliverdin IX alpha , a key enzyme in the biosynthesis of phytochrome.
J.Biol.Chem., 295, 2020
8HHQ
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BU of 8hhq by Molmil
Covalent bond formation between cysteine of PPARg-LBD and iodoacetic acid
Descriptor: GLYCOLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023

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数据于2024-10-16公开中

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