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8PNA
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BU of 8pna by Molmil
transcription factor BARHL2 bound to TAATG DNA sequence
分子名称: ACETATE ION, BarH-like 2 homeobox protein, DNA
著者Morgunova, E, Popov, A, Yin, Y, Taipale, J.
登録日2023-06-30
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献transcription factor BARHL2 bound to different DNA sequences
To Be Published
8PNO
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BU of 8pno by Molmil
The MgF3(H2O) transition state analog complex of E. coli YihX
分子名称: 1,2-ETHANEDIOL, Alpha-D-glucose 1-phosphate phosphatase YihX, CALCIUM ION, ...
著者Baumann, P, Zappala, D, Jin, Y.
登録日2023-06-30
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The MgF3(H2O)- transition state analog complex of E. coli YihX
To Be Published
6RZ6
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BU of 6rz6 by Molmil
Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (C2221 space group)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ...
著者Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
登録日2019-06-12
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
5MCC
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BU of 5mcc by Molmil
Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 1.11 MGy
分子名称: Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION
著者Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F.
登録日2016-11-09
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献OH cleavage from tyrosine: debunking a myth.
J Synchrotron Radiat, 24, 2017
6HBI
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BU of 6hbi by Molmil
SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, DEOXY FORM
分子名称: HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
著者Royer Junior, W.E.
登録日1998-06-25
公開日1998-11-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
8CZ6
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BU of 8cz6 by Molmil
CryoEM structure of amplified alpha-synuclein fibril class A type I with extended core from DLB case X
分子名称: Alpha-synuclein
著者Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A.
登録日2022-05-24
公開日2023-05-31
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid
To Be Published
5MCF
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BU of 5mcf by Molmil
Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 7.59 MGy
分子名称: Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION
著者Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F.
登録日2016-11-09
公開日2017-01-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献OH cleavage from tyrosine: debunking a myth.
J Synchrotron Radiat, 24, 2017
6HVB
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BU of 6hvb by Molmil
NMR structure of Urotensin Peptide Asp-c[Cys-Phe-(N-Me)Trp-Lys-Tyr-Cys]-Val in SDS solution
分子名称: Urotensin-2
著者Brancaccio, D, Carotenuto, A, Merlino, F, Billard, E, Yousif, A.M, Di Maro, S, Abate, L, Bellavita, R, D'Emmanuele di Villa Bianca, R, Santicioli, P, Marinelli, L, Novellino, E, Hebert, T.E, Lubell, W.D, Chatenet, D, Grieco, P.
登録日2018-10-10
公開日2019-01-16
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides.
J.Med.Chem., 62, 2019
6B1U
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BU of 6b1u by Molmil
Structure of full-length human AMPK (a2b1g1) in complex with a small molecule activator SC4
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S.
登録日2017-09-19
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Cell Chem Biol, 25, 2018
8CYX
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BU of 8cyx by Molmil
CryoEM structure of amplified alpha-synuclein fibril class A type I with compact core from DLB case III
分子名称: Alpha-synuclein
著者Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A.
登録日2022-05-24
公開日2023-05-31
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid
To Be Published
6HVK
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BU of 6hvk by Molmil
Pepducin UT-Pep2 a biased allosteric agonist of Urotensin-II receptor
分子名称: Urotensin-2 receptor
著者Carotenuto, A, Hoang, T.A, Nassour, H, Martin, R.D, Billard, E, Myriam, L, Novellino, E, Tanny, J.C, Fournier, A, Hebert, T.E, Chatenet, D.
登録日2018-10-11
公開日2019-10-30
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Lipidated peptides derived from intracellular loops 2 and 3 of the urotensin II receptor act as biased allosteric ligands.
J.Biol.Chem., 297, 2021
8PNC
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BU of 8pnc by Molmil
Transcription factor BARHL2 bound to TAAGT DNA sequence
分子名称: BarH-like 2 homeobox protein, DNA
著者Morgunova, E, Popov, A, Yin, Y, Taipale, J.
登録日2023-06-30
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Transcription factor BARHL2 bound to different DNA sequences
To Be Published
5J3T
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BU of 5j3t by Molmil
Crystal structure of S. pombe Dcp2:Dcp1:Edc1 mRNA decapping complex
分子名称: Edc1, FORMIC ACID, MAGNESIUM ION, ...
著者Valkov, E, Muthukumar, S, Chang, C.T, Jonas, S, Weichenrieder, O, Izaurralde, E.
登録日2016-03-31
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the Dcp2-Dcp1 mRNA-decapping complex in the activated conformation.
Nat.Struct.Mol.Biol., 23, 2016
8AQT
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BU of 8aqt by Molmil
Beta SARS-CoV-2 Spike bound to mouse ACE2 (local)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ...
著者Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E.
登録日2022-08-13
公開日2023-03-01
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
6O9X
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BU of 6o9x by Molmil
Structure of human PARG complexed with JA2-4
分子名称: 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase
著者Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A.
登録日2019-03-15
公開日2019-12-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
5J4Y
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BU of 5j4y by Molmil
The crystal structure of N-(4-(2-(thiazolo[5,4-c]pyridin-2-yl)phenoxy)phenyl)acetamide bound to JCV Helicase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide, ...
著者Ter Haar, E.
登録日2016-04-01
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
6OA1
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BU of 6oa1 by Molmil
Structure of human PARG complexed with JA2120
分子名称: 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase
著者Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A.
登録日2019-03-15
公開日2019-12-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
6RS4
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BU of 6rs4 by Molmil
Structure of tabersonine synthase - an alpha-beta hydrolase from Catharanthus roseus
分子名称: 1,2-ETHANEDIOL, Tabersonine synthase
著者Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E.
登録日2019-05-21
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
8PMC
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BU of 8pmc by Molmil
transcription factor BARHL2 bound to TAATT DNA sequence
分子名称: BarH-like 2 homeobox protein, DNA
著者Morgunova, E, Popov, A, Yin, Y, Taipale, J.
登録日2023-06-28
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献transcription factor BARHL2 bound to DNA sequences
To Be Published
6RT8
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BU of 6rt8 by Molmil
Structure of catharanthine synthase - an alpha-beta hydrolase from Catharanthus roseus with a cleaviminium intermediate bound
分子名称: 18-carboxymethoxy-cleaviminium, Catharanthine synthase, HEXAETHYLENE GLYCOL
著者Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E.
登録日2019-05-22
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
8CYY
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BU of 8cyy by Molmil
CryoEM structure of amplified alpha-synuclein fibril class B mixed type I/II with extended core from DLB case V
分子名称: Alpha-synuclein
著者Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A.
登録日2022-05-24
公開日2023-05-31
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid
To Be Published
8AQU
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BU of 8aqu by Molmil
BA.1 SARS-CoV-2 Spike bound to mouse ACE2 (local)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ...
著者Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E.
登録日2022-08-13
公開日2023-03-01
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
8AQV
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BU of 8aqv by Molmil
BA.2.12.1 SARS-CoV-2 Spike bound to mouse ACE2 (local)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ...
著者Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E.
登録日2022-08-13
公開日2023-03-01
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
7QCE
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BU of 7qce by Molmil
Crystal structure of an atypical PHD finger of VIN3
分子名称: DI(HYDROXYETHYL)ETHER, VIN3 (Protein VERNALIZATION INSENSITIVE 3), ZINC ION
著者Franco-Echevarria, E, Fiedler, M, Dean, C, Bienz, M.
登録日2021-11-23
公開日2022-11-16
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Plant vernalization proteins contain unusual PHD superdomains without histone H3 binding activity.
J.Biol.Chem., 298, 2022
5MCJ
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BU of 5mcj by Molmil
Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 14.1 MGy
分子名称: Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION
著者Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F.
登録日2016-11-09
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献OH cleavage from tyrosine: debunking a myth.
J Synchrotron Radiat, 24, 2017

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件を2024-10-16に公開中

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