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8P96
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TARGET COMPLEX 3
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, 1,2-Distearoyl-sn-glycerophosphoethanolamine, N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D, ...
著者Garau, G.
登録日2023-06-05
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献TARGET COMPLEX 2
To Be Published
6YBL
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BU of 6ybl by Molmil
Structure of MBP-Mcl-1 in complex with compound 9m
分子名称: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Dokurno, P, Surgenor, A.E, Murray, J.B.
登録日2020-03-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
4WJL
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Structure of human dipeptidyl peptidase 10 (DPPY): a modulator of neuronal Kv4 channels
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, Inactive dipeptidyl peptidase 10, ...
著者Bezerra, G.A, Dobrovetsky, E, Seitova, A, Fedosyuk, S, Dhe-Paganon, S, Gruber, K.
登録日2014-09-30
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of human dipeptidyl peptidase 10 (DPPY): a modulator of neuronal Kv4 channels.
Sci Rep, 5, 2015
8P90
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TARGET COMPLEX 2
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, 1,2-Distearoyl-sn-glycerophosphoethanolamine, N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D, ...
著者Garau, G.
登録日2023-06-05
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献TARGET COMPLEX 2
To Be Published
8P6B
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BU of 8p6b by Molmil
Ruthenium complex bound to an antiparallel G-quadruplex
分子名称: DNA (5'-D(*GP*GP*GP*TP*TP*TP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION, Ruthenium bis-(phenanthroline) 12,17-dihydro-naphthodipyridophenazine-12,17-dione
著者McQuaid, K.T, Cardin, C.J.
登録日2023-05-25
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ruthenium complex bound to an antiparallel G-quadruplex
To Be Published
8OLS
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BU of 8ols by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+ and intronistat B
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC intron, MAGNESIUM ION, ...
著者Silvestri, I, Marcia, M.
登録日2023-03-30
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
4WMS
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BU of 4wms by Molmil
STRUCTURE OF APO MBP-MCL1 AT 1.9A
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ...
著者Clifton, M.C, Dranow, D.M.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
8P9X
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Vitamin D receptor complex with Xe4Me agonist ligand
分子名称: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 2, ...
著者Rochel, N.
登録日2023-06-06
公開日2024-06-26
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A vitamin D-based strategy overcomes chemoresistance in prostate cancer.
Br.J.Pharmacol., 2024
8OM0
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BU of 8om0 by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of Na+, Mg2+ and intronistat B
分子名称: 3,4,5-trihydroxybenzoic acid, Domains 1-5, MAGNESIUM ION, ...
著者Silvestri, I, Marcia, M.
登録日2023-03-31
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
8OLY
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Structure of Oceanobacillus iheyensis group II intron post first step of splicing in the presence of K+, Mg2+ and intronistat B
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-exon, Group IIC intron, ...
著者Silvestri, I, Marcia, M.
登録日2023-03-30
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
6GPA
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BU of 6gpa by Molmil
Beta-1,4-galactanase from Bacteroides thetaiotaomicron with galactose
分子名称: Arabinogalactan endo-beta-1,4-galactanase, beta-D-galactopyranose
著者Hekelaar, J, Boger, M, Leeuwen van, S.S, Lammerts van Bueren, A, Dijkhuizen, L.
登録日2018-06-05
公開日2018-12-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural and functional characterization of a family GH53 beta-1,4-galactanase from Bacteroides thetaiotaomicron that facilitates degradation of prebiotic galactooligosaccharides.
J. Struct. Biol., 205, 2019
8OLZ
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BU of 8olz by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and intronistat B after 2h30 soaking
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-exon, DOMAINS 1-5, ...
著者Silvestri, I, Marcia, M.
登録日2023-03-30
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
8PC4
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MEMBRANE TARGET COMPLEX 1
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, ...
著者Garau, G.
登録日2023-06-09
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献MEMBRANE TARGET COMPLEX 1
To Be Published
1BDM
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BU of 1bdm by Molmil
THE STRUCTURE AT 1.8 ANGSTROMS RESOLUTION OF A SINGLE SITE MUTANT (T189I) OF MALATE DEHYDROGENASE FROM THERMUS FLAVUS WITH INCREASED ENZYMATIC ACTIVITY
分子名称: BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MALATE DEHYDROGENASE
著者Kelly, C.A, Birktoft, J.J.
登録日1993-02-16
公開日1994-12-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Determinants of protein thermostability observed in the 1.9-A crystal structure of malate dehydrogenase from the thermophilic bacterium Thermus flavus.
Biochemistry, 32, 1993
8OVC
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BU of 8ovc by Molmil
Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis
分子名称: (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
著者Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M.
登録日2023-04-25
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex.
Nat Commun, 15, 2024
8OL8
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BU of 8ol8 by Molmil
Solution NMR Structure of Lactamised Alpha-Synuclein 2-12 Peptide in 50% TFE.
分子名称: ACE-ASP-VAL-PHE-MET-LYS-LYS-LEU-SER-LYS-ASP-LYS-NH2
著者Allen, S.G, Williams, C, Meade, R.M, Crump, M.P, Mason, J.M.
登録日2023-03-30
公開日2024-07-10
実験手法SOLUTION NMR
主引用文献The N-terminal domain of alpha-Synuclein modulates lipid induced aggregation via competitive inhibition
To Be Published
6Y62
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BU of 6y62 by Molmil
Crystal structure of the envelope glycoprotein complex of Maporal virus in a prefusion conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein,Envelope polyprotein, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Serris, A, Rey, F.A, Guardado-Calvo, P.
登録日2020-02-26
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.
Cell, 183, 2020
8OKD
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BU of 8okd by Molmil
Human pseudouridine synthase 3 and tRNA-Gln
分子名称: human tRNA-Gln (70-MER), tRNA pseudouridine(38/39) synthase
著者Lin, T.-Y, Glatt, S.
登録日2023-03-28
公開日2024-07-10
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The molecular basis of tRNA selectivity by human pseudouridine synthase 3.
Mol.Cell, 84, 2024
8P6H
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BU of 8p6h by Molmil
Bovine naive ultralong antibody AbBLV5B8* collected at 100K
分子名称: Antibody BLV5B8* heavy chain, Antibody BLV5B8* light chain
著者Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J.
登録日2023-05-26
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献The impact of chain-exchange on bovine ultralong immunoglobulins.
Acta Crystallographica Section F, 2023
8P2T
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Bovine naive ultralong antibody AbD08* collected at 100K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Antibody D08* heavy chain, Antibody D08* light chain, ...
著者Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J.
登録日2023-05-16
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The impact of chain-exchange on bovine ultralong immunoglobulins.
Acta Crystallographica Section F, 2024
8PZ6
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BU of 8pz6 by Molmil
crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 analog 56
分子名称: (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-(3-oxidanylpropylidene)cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A
著者Rochel, N.
登録日2023-07-27
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.
Eur.J.Med.Chem., 271, 2024
8QAA
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BU of 8qaa by Molmil
X-ray crystal structure of a de novo designed antiparallel coiled-coil 6-helix bundle with 4 heptad repeats, antiparallel 6-helix bundle-ALIA
分子名称: antiparallel 6-helix bundle-ALIA
著者Albanese, K.I, Petrenas, R, Woolfson, D.N.
登録日2023-08-22
公開日2024-07-03
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
7AV1
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LTA4 hydrolase in complex with fragment2
分子名称: 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2020-11-03
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
8PNQ
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BU of 8pnq by Molmil
Influenza A/H7N9 polymerase in elongation state with continuous Pol II pS5 CTD peptide mimic bound in site 1A/2A
分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, 51-mer vRNA loop (v51_mut_S), MAGNESIUM ION, ...
著者Arragain, B, Cusack, S.
登録日2023-06-30
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献The host RNA polymerase II C-terminal domain is the anchor for replication of the influenza virus genome.
Nat Commun, 15, 2024
8POH
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Influenza A/H7N9 polymerase symmetric dimer bound to the promoter (PA K289A/C489R)
分子名称: 51-mer vRNA loop (v51_mut_S), MAGNESIUM ION, Polymerase acidic protein, ...
著者Arragain, B, Cusack, S.
登録日2023-07-04
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The host RNA polymerase II C-terminal domain is the anchor for replication of the influenza virus genome.
Nat Commun, 15, 2024

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件を2024-08-21に公開中

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