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3R8A
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BU of 3r8a by Molmil
X-ray crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a compound with dual PPAR gamma agonism and Angiotensin II Type I receptor antagonism activity
Descriptor: 2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine, Peroxisome proliferator-activated receptor gamma
Authors:Ohren, J.F.
Deposit date:2011-03-23
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of a Series of Imidazo[4,5-b]pyridines with Dual Activity at Angiotensin II Type 1 Receptor and Peroxisome Proliferator-Activated Receptor-gamma.
J.Med.Chem., 54, 2011
4QA2
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BU of 4qa2 by Molmil
Crystal structure of I243N HDAC8 in complex with SAHA
Descriptor: GLYCEROL, Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ...
Authors:Decroos, C, Bowman, C.B, Moser, J.-A.S, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2014-05-02
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.377 Å)
Cite:Compromised Structure and Function of HDAC8 Mutants Identified in Cornelia de Lange Syndrome Spectrum Disorders.
Acs Chem.Biol., 9, 2014
6RXQ
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BU of 6rxq by Molmil
Crystal structure of CobB Ac2 (A76G,I131C,V162A) in complex with H4K16Cr-2'OH-ADPr peptide intermediate after soaking
Descriptor: Histone H4, NAD-dependent protein deacylase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Spinck, M, Gasper, R, Neumann, H.
Deposit date:2019-06-08
Release date:2020-04-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
5EYM
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BU of 5eym by Molmil
MEK1 IN COMPLEX WITH BI 847325
Descriptor: 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1
Authors:Bader, G, Reiser, U, Zahn, S.K, Treu, M.
Deposit date:2015-11-25
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases.
Mol.Cancer Ther., 15, 2016
6B8J
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BU of 6b8j by Molmil
Co-structure of human glycogen synthase kinase beta with a selective (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine inhibitor
Descriptor: CHIR99021, GLYCEROL, Glycogen synthase kinase-3 beta, ...
Authors:Bussiere, D.E.
Deposit date:2017-10-08
Release date:2017-11-08
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:Synthesis, Binding Mode, and Antihyperglycemic Activity of Potent and Selective (5-Imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine Inhibitors of Glycogen Synthase Kinase 3.
J. Med. Chem., 60, 2017
6U1N
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BU of 6u1n by Molmil
GPCR-Beta arrestin structure in lipid bilayer
Descriptor: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, Beta-arrestin-1, Fab30 heavy chain, ...
Authors:Staus, D.P, Hu, H, Robertson, M.J, Kleinhenz, A.L.W, Wingler, L.M, Capel, W.D, Latorraca, N.R, Lefkowitz, R.J, Skiniotis, G.
Deposit date:2019-08-16
Release date:2020-02-26
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the M2 muscarinic receptor-beta-arrestin complex in a lipid nanodisc.
Nature, 579, 2020
4BUP
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BU of 4bup by Molmil
A novel route to product specificity in the Suv4-20 family of histone H4K20 methyltransferases
Descriptor: GLYCEROL, HISTONE-LYSINE N-METHYLTRANSFERASE SUV420H1, S-ADENOSYLMETHIONINE, ...
Authors:Southall, S.M, Cronin, N.B, Wilson, J.R.
Deposit date:2013-06-21
Release date:2013-10-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:A Novel Route to Product Specificity in the Suv4-20 Family of Histone H4K20 Methyltransferases.
Nucleic Acids Res., 42, 2014
2W0N
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BU of 2w0n by Molmil
Plasticity of PAS domain and potential role for signal transduction in the histidine-kinase DcuS
Descriptor: SENSOR PROTEIN DCUS
Authors:Etzkorn, M, Kneuper, H, Duennwald, P, Vijayan, V, Kraemer, J, Griesinger, C, Becker, S, Unden, G, Baldus, M.
Deposit date:2008-08-19
Release date:2008-09-30
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Plasticity of the Pas Domain and a Potential Role for Signal Transduction in the Histidine Kinase Dcus.
Nat.Struct.Mol.Biol., 15, 2008
2VV8
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BU of 2vv8 by Molmil
Co-bound structure of bjFixLH
Descriptor: CARBON MONOXIDE, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ayers, R.A, Moffat, K.
Deposit date:2008-06-04
Release date:2008-11-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Changes in Quaternary Structure in the Signaling Mechanisms of Pas Domains.
Biochemistry, 47, 2008
6RXK
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BU of 6rxk by Molmil
Crystal structure of CobB wt in complex with H4K16-Butyryl peptide
Descriptor: Histone H4, NAD-dependent protein deacylase, ZINC ION
Authors:Spinck, M, Gasper, R, Neumann, H.
Deposit date:2019-06-08
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
6RXS
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BU of 6rxs by Molmil
Crystal structure of CobB Ac3(A76G,Y92A, I131L, V187Y) in complex with H4K16-Acetyl peptide
Descriptor: GLYCEROL, Histone H4, NAD-dependent protein deacylase, ...
Authors:Spinck, M, Gasper, R, Neumann, H.
Deposit date:2019-06-08
Release date:2020-04-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
5F8J
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BU of 5f8j by Molmil
Enterovirus 71 Polymerase Elongation Complex (C1S4 Form)
Descriptor: GLYCEROL, Genome polyprotein, MAGNESIUM ION, ...
Authors:Shu, B, Gong, P.
Deposit date:2015-12-09
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.675 Å)
Cite:Structural basis of viral RNA-dependent RNA polymerase catalysis and translocation
Proc.Natl.Acad.Sci.USA, 113, 2016
6RVK
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BU of 6rvk by Molmil
Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-(phenylmethyl)-
Descriptor: 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea, Carbonic anhydrase 2, ZINC ION
Authors:Di Fiore, A, De Simone, G.
Deposit date:2019-05-31
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.
J Enzyme Inhib Med Chem, 34, 2019
4XXJ
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BU of 4xxj by Molmil
Crystal Structure of Escherichia coli-Expressed Halobacterium salinarum Bacteriorhodopsin in the Trimeric Form
Descriptor: Bacteriorhodopsin, EICOSANE, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
Authors:Bratanov, D, Balandin, T, Round, E, Gushchin, I, Gordeliy, V.
Deposit date:2015-01-30
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An Approach to Heterologous Expression of Membrane Proteins. The Case of Bacteriorhodopsin.
Plos One, 10, 2015
4XZ8
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BU of 4xz8 by Molmil
The crystal structure of Erve virus nucleoprotein
Descriptor: Nucleoprotein
Authors:Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B.
Deposit date:2015-02-04
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins.
J.Virol., 89, 2015
5FQ2
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BU of 5fq2 by Molmil
Crystal structure of human SUMO E1 UFD domain in complex with Ubc9 in a P422 space group.
Descriptor: SUMO-ACTIVATING ENZYME SUBUNIT 2, SUMO-CONJUGATING ENZYME UBC9
Authors:Liu, B, Castano, L, Lois, M, Reverter, D.
Deposit date:2015-12-04
Release date:2016-11-16
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Crystal Structure of Human Sumo E1 Ufd Domain in Complex with Ubc9.
To be Published
8J8Z
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BU of 8j8z by Molmil
Structure of beta-arrestin1 in complex with D6Rpp
Descriptor: Atypical chemokine receptor 2, Beta-arrestin-1, Fab30 Heavy Chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Chami, M, Banerjee, R, Shukla, A.K.
Deposit date:2023-05-02
Release date:2023-12-27
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors.
Science, 383, 2024
2WY1
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BU of 2wy1 by Molmil
Crystal structure of rat angiotensinogen in P321 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:2024-10-16
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A Redox Switch in Angiotensinogen Modulates Angiotensin Release.
Nature, 468, 2010
4QA1
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BU of 4qa1 by Molmil
Crystal structure of A188T HDAC8 in complex with M344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, GLYCEROL, Histone deacetylase 8, ...
Authors:Decroos, C, Bowman, C.B, Moser, J.-A.S, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2014-05-02
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Compromised Structure and Function of HDAC8 Mutants Identified in Cornelia de Lange Syndrome Spectrum Disorders.
Acs Chem.Biol., 9, 2014
5FU6
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BU of 5fu6 by Molmil
NOT module of the human CCR4-NOT complex (Crystallization mutant)
Descriptor: CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1, CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 2, CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 3
Authors:Raisch, T, Bhandari, D, Sabath, K, Helms, S, Valkov, E, Weichenrieder, O, Izaurralde, E.
Deposit date:2016-01-21
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Distinct Modes of Recruitment of the Ccr4-not Complex by Drosophila and Vertebrate Nanos
Embo J., 35, 2016
6ON2
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BU of 6on2 by Molmil
Lon Protease from Yersinia pestis with Y2853 substrate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent protease La, ...
Authors:Shin, M, Asmita, A, Puchades, C, Adjei, E, Wiseman, R.L, Karzai, A.W, Lander, G.C.
Deposit date:2019-04-19
Release date:2019-05-01
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for distinct operational modes and protease activation in AAA+ protease Lon.
Sci Adv, 6, 2020
5F8G
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BU of 5f8g by Molmil
Enterovirus 71 Polymerase Elongation Complex (C1S1 Form)
Descriptor: Genome polyprotein, RNA (35-MER), RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*GP*A)-3'), ...
Authors:Shu, B, Gong, P.
Deposit date:2015-12-09
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structural basis of viral RNA-dependent RNA polymerase catalysis and translocation
Proc.Natl.Acad.Sci.USA, 113, 2016
8TSY
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BU of 8tsy by Molmil
Pseudomonas fluorescens G150T-2 isocyanide hydratase at 274 K
Descriptor: CHLORIDE ION, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
2XDB
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BU of 2xdb by Molmil
A processed non-coding RNA regulates a bacterial antiviral system
Descriptor: COBALT (II) ION, SULFATE ION, TOXI, ...
Authors:Blower, T.R, Pei, X.Y, Short, F.L, Fineran, P.C, Humphreys, D.P, Luisi, B.F, Salmond, G.P.C.
Deposit date:2010-04-30
Release date:2011-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A Processed Noncoding RNA Regulates an Altruistic Bacterial Antiviral System.
Nat.Struct.Mol.Biol., 18, 2011
8TT0
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BU of 8tt0 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=4.2
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023

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數據於2024-10-16公開中

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