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5FMQ
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BU of 5fmq by Molmil
Crystal structure of the mid, cap-binding, mid-link and 627 domains from avian influenza A virus polymerase PB2 subunit bound to M7GTP H32 crystal form
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, INFLUENZA A PB2 SUBUNIT
Authors:Thierry, E, Pflug, A, Hart, D, Cusack, S.
Deposit date:2015-11-07
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains.
Mol.Cell, 61, 2016
2X0L
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BU of 2x0l by Molmil
Crystal structure of a neuro-specific splicing variant of human histone lysine demethylase LSD1.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, HISTONE H3 PEPTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
Authors:Zibetti, C, Adamo, A, Binda, C, Forneris, F, Verpelli, C, Ginelli, E, Mattevi, A, Sala, C, Battaglioli, E.
Deposit date:2009-12-15
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Alternative Splicing of the Histone Demethylase Lsd1/Kdm1 Contributes to the Modulation of Neurite Morphogenesis in the Mammalian Nervous System.
J.Neurosci., 30, 2010
6S9X
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BU of 6s9x by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 15c
Descriptor: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2019-07-15
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
3RUU
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BU of 3ruu by Molmil
FXR with SRC1 and GSK237
Descriptor: 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2011-05-05
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
2WXZ
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BU of 2wxz by Molmil
Crystal structure of rat angiotensinogen in C2 space group
Descriptor: ANGIOTENSINOGEN
Authors:Zhou, A, Wei, Z, Carrell, R.W, Read, R.J.
Deposit date:2009-11-11
Release date:2010-10-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Redox Switch in Angiotensinogen Modulates Angiotensin Release.
Nature, 468, 2010
4R25
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BU of 4r25 by Molmil
Structure of B. subtilis GlnK
Descriptor: Nitrogen regulatory PII-like protein, ZINC ION
Authors:Schumacher, M.A.
Deposit date:2014-08-08
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5193 Å)
Cite:Structures of regulatory machinery reveal novel molecular mechanisms controlling B. subtilis nitrogen homeostasis.
Genes Dev., 29, 2015
5ED3
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BU of 5ed3 by Molmil
crystal structure of human Hint1 complexing with AP5A
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2015-10-20
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.309 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
5EDB
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BU of 5edb by Molmil
human fatty acid binding protein 4 in complex with 6-Chloro-2-methyl-4-phenyl-quinoline-3-carboxylic acid at 1.18A
Descriptor: 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Rudolph, M.G, Ehler, A.
Deposit date:2015-10-21
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
8ODR
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BU of 8odr by Molmil
Mimetic of UBC9-SUMO1
Descriptor: SULFATE ION, SUMO-conjugating enzyme UBC9, Small ubiquitin-related modifier 1
Authors:Coste, F, Goffinont, S, Suskiewicz, M.J.
Deposit date:2023-03-09
Release date:2023-06-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural insights into the regulation of the human E2∼SUMO conjugate through analysis of its stable mimetic.
J.Biol.Chem., 299, 2023
3SP9
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BU of 3sp9 by Molmil
Structural basis for iloprost as a dual PPARalpha/delta agonist
Descriptor: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid, Peroxisome proliferator-activated receptor delta
Authors:Rong, H, Li, Y.
Deposit date:2011-07-01
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for iloprost as a dual peroxisome proliferator-activated receptor alpha/delta agonist.
J.Biol.Chem., 286, 2011
4Z2B
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BU of 4z2b by Molmil
The structure of human PDE12 residues 161-609 in complex with GSK3036342A
Descriptor: 1,2-ETHANEDIOL, 2',5'-phosphodiesterase 12, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Nolte, R.T, Wisely, B, Wang, L, Wood, E.R.
Deposit date:2015-03-29
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
8DKB
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BU of 8dkb by Molmil
Crystal Structure of human YEATS4 in complex with Pfizer small molecule compound 3b
Descriptor: N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide, YEATS domain-containing protein 4
Authors:Dias, J.M, Byrnes, L.J, Varghese, A.H.
Deposit date:2022-07-05
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of High-Affinity Small-Molecule Binders of the Epigenetic Reader YEATS4.
J.Med.Chem., 66, 2023
6SIT
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BU of 6sit by Molmil
Pseudo-atomic crystal structure of the desmoglein 2 - human adenovirus serotype 3 fibre knob complex
Descriptor: CALCIUM ION, Desmoglein-2, Fiber protein
Authors:Burmeister, W.P, Fender, P, Vassal-Stermann, E.
Deposit date:2019-08-11
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Intermediate-resolution crystal structure of the human adenovirus B serotype 3 fibre knob in complex with the EC2-EC3 fragment of desmoglein 2.
Acta Crystallogr.,Sect.F, 75, 2019
3SZ1
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BU of 3sz1 by Molmil
Human PPAR gamma ligand binding domain in complex with luteolin and myristic acid
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MYRISTIC ACID, Peroxisome proliferator-activated receptor gamma, ...
Authors:Puhl, A.C, Bernardes, A, Polikarpov, I.
Deposit date:2011-07-18
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mode of peroxisome proliferator-activated receptor gamma activation by luteolin.
Mol.Pharmacol., 81, 2012
5EP0
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BU of 5ep0 by Molmil
Quorum-Sensing Signal Integrator LuxO - Receiver+Catalytic Domains
Descriptor: 1,2-ETHANEDIOL, Putative repressor protein luxO, SULFATE ION
Authors:Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M.
Deposit date:2015-11-11
Release date:2016-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Plos Biol., 14, 2016
6X61
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BU of 6x61 by Molmil
Crystal structure of the N-terminal thioredoxin domain of SasA in complex with the N-terminal CI domain of KaiC from Thermosynchococcus elongatus
Descriptor: Adaptive-response sensory-kinase SasA, Circadian clock protein kinase KaiC, PHOSPHATE ION
Authors:Swan, J.A, Tripathi, S.M, Partch, C.L.
Deposit date:2020-05-27
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Reconstitution of an intact clock reveals mechanisms of circadian timekeeping.
Science, 374, 2021
6S9T
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BU of 6s9t by Molmil
Dimerization domain of Xenopus laevis LDB1 in complex with darpin 3
Descriptor: Darpin 3, LIM domain-binding protein 1, TETRAETHYLENE GLYCOL
Authors:Renko, M, Schaefer, J.V, Pluckthun, A, Bienz, M.
Deposit date:2019-07-15
Release date:2019-10-09
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Rotational symmetry of the structured Chip/LDB-SSDP core module of the Wnt enhanceosome.
Proc.Natl.Acad.Sci.USA, 116, 2019
5EIC
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BU of 5eic by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with AYC
Descriptor: 1,2-ETHANEDIOL, 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, CREB-binding protein
Authors:Dong, J, Caflisch, A.
Deposit date:2015-10-29
Release date:2016-11-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
3E1K
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BU of 3e1k by Molmil
Crystal structure of Kluyveromyces lactis Gal80p in complex with the acidic activation domain of Gal4p
Descriptor: Galactose/lactose metabolism regulatory protein GAL80, Lactose regulatory protein LAC9
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2008-08-04
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Interaction between an Acidic Transcriptional Activator and Its Inhibitor: THE MOLECULAR BASIS OF Gal4p RECOGNITION BY Gal80p.
J.Biol.Chem., 283, 2008
5F8I
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BU of 5f8i by Molmil
Enterovirus 71 Polymerase Elongation Complex (C1S2/3 Form)
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, GLYCEROL, Genome polyprotein, ...
Authors:Shu, B, Gong, P.
Deposit date:2015-12-09
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Structural basis of viral RNA-dependent RNA polymerase catalysis and translocation
Proc.Natl.Acad.Sci.USA, 113, 2016
6XT9
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BU of 6xt9 by Molmil
Subunits BBS 1,4,8,9,18 of the human BBSome complex
Descriptor: BBSome-interacting protein 1, Bardet-Biedl syndrome 1 protein, Bardet-Biedl syndrome 4 protein, ...
Authors:Klink, B.U, Raunser, S, Gatsogiannis, C.
Deposit date:2020-01-15
Release date:2020-01-29
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of the human BBSome core complex.
Elife, 9, 2020
2WK4
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BU of 2wk4 by Molmil
Dimeric structure of D347G D348G mutant of the sapporovirus RNA dependent RNA polymerase
Descriptor: GLYCEROL, PROTEASE-POLYMERASE P70
Authors:Fullerton, S.W.B, Robel, I, Schuldt, L, Gebhardt, J, Tucker, P.A, Rohayem, J.
Deposit date:2009-06-05
Release date:2010-09-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Dimeric Structure of D347G D348G Mutant of the Sapporovirus Sapporovirus RNA Dependent RNA Polymerase
To be Published
4ZDR
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BU of 4zdr by Molmil
Crystal structure of 14-3-3[zeta]-LKB1 fusion protein
Descriptor: 14-3-3 protein zeta/delta,GGSGGS linker,Serine/threonine-protein kinase STK11, GLYCEROL, PROPANE, ...
Authors:Ding, S, Shi, Z.B.
Deposit date:2015-04-18
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:Structure of the 14-3-3 zeta-LKB1 fusion protein provides insight into a novel ligand-binding mode of 14-3-3.
Acta Crystallogr.,Sect.F, 71, 2015
6O6X
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BU of 6o6x by Molmil
Crystal structure of Csm6 W14A/E337A mutant in complex with cA4 by cocrystallization
Descriptor: Csm6, Cyclic RNA cA4
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
6S9S
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BU of 6s9s by Molmil
Dimerization domain of Xenopus laevis LDB1 in complex with darpin 10
Descriptor: Darpin 10, LIM domain-binding protein 1
Authors:Renko, M, Schaefer, J.V, Pluckthun, A, Bienz, M.
Deposit date:2019-07-15
Release date:2019-10-09
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rotational symmetry of the structured Chip/LDB-SSDP core module of the Wnt enhanceosome.
Proc.Natl.Acad.Sci.USA, 116, 2019

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數據於2024-10-16公開中

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