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4R4K
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BU of 4r4k by Molmil
Crystal structure of a cystatin-like protein (BACCAC_01506) from Bacteroides caccae ATCC 43185 at 1.69 A resolution
Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, ACETATE ION, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-08-19
Release date:2014-10-01
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of a hypothetical protein (BACCAC_01506) from Bacteroides caccae ATCC 43185 at 1.69 A resolution
To be published
4R7S
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BU of 4r7s by Molmil
Crystal structure of a tetratricopeptide repeat protein (PARMER_03812) from Parabacteroides merdae ATCC 43184 at 2.39 A resolution
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NITRATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-08-28
Release date:2014-10-01
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal structure of a tetratricopeptide repeat protein (PARMER_03812) from Parabacteroides merdae ATCC 43184 at 2.39 A resolution
To be published
4R4V
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BU of 4r4v by Molmil
Crystal structure of the VS ribozyme - G638A mutant
Descriptor: MAGNESIUM ION, POTASSIUM ION, VS ribozyme RNA
Authors:Piccirilli, J.A, Suslov, N.B, Dasgupta, S, Huang, H, Lilley, D.M.J, Rice, P.A.
Deposit date:2014-08-19
Release date:2015-09-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Crystal structure of the Varkud satellite ribozyme.
Nat.Chem.Biol., 11, 2015
4RKW
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BU of 4rkw by Molmil
Crystal structure of DJ-1
Descriptor: Protein DJ-1
Authors:Liddington, R.C.
Deposit date:2014-10-14
Release date:2015-08-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Transnitrosylation from DJ-1 to PTEN attenuates neuronal cell death in parkinson's disease models.
J.Neurosci., 34, 2014
4RLO
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BU of 4rlo by Molmil
Human p70s6k1 with ruthenium-based inhibitor EM5
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R.
Deposit date:2014-10-17
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.527 Å)
Cite:Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
3TNQ
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BU of 3tnq by Molmil
Structure and Allostery of the PKA RIIb Tetrameric Holoenzyme
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein kinase, ...
Authors:Zhang, P, Smith-Nguyen, E.V, Keshwani, M.M, Deal, M.S, Kornev, A.P, Taylor, S.S.
Deposit date:2011-09-01
Release date:2012-02-01
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (3.097 Å)
Cite:Structure and allostery of the PKA RIIbeta tetrameric holoenzyme
Science, 335, 2012
4RVN
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BU of 4rvn by Molmil
Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, COENZYME A, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-11-26
Release date:2015-01-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution
To be published
4RU2
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BU of 4ru2 by Molmil
Crystal structure of a RNA-binding protein 39 (RBM39) in complex with fragment of splicing factor (U2AF) from Mus musculus at 2.20 A resolution
Descriptor: RNA-binding protein 39 (RBM39), Splicing factor U2AF 65 kDa subunit
Authors:Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
Deposit date:2014-11-17
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a RNA-binding protein 39 (RBM39) in complex with fragment of splicing factor (U2AF) from Mus musculus at 2.20 A resolution
To be published
4S31
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BU of 4s31 by Molmil
Crystal structure of mitogen-activated protein kinase 1 wtERK2 at 1.45A
Descriptor: Mitogen-activated protein kinase 1
Authors:Livnah, O, Karamansha, Y.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Multiple mechanisms render Erk proteins MEK-independent
To be Published
3TNP
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BU of 3tnp by Molmil
Structure and Allostery of the PKA RIIb Tetrameric Holoenzyme
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type II-beta regulatory subunit
Authors:Zhang, P, Smith-Nguyen, E.V, Keshwani, M.M, Deal, M.S, Kornev, A.P, Taylor, S.S.
Deposit date:2011-09-01
Release date:2012-02-01
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and allostery of the PKA RIIbeta tetrameric holoenzyme
Science, 335, 2012
4PUC
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BU of 4puc by Molmil
Crystal structure of a SusD homolog (BACUNI_02643) from Bacteroides uniformis ATCC 8492 at 2.00 A resolution
Descriptor: ACETATE ION, SusD homolog, ZINC ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-03-12
Release date:2014-06-04
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a SusD homolog (BACUNI_02643) from Bacteroides uniformis ATCC 8492 at 2.00 A resolution
To be published
4PV7
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BU of 4pv7 by Molmil
Cocrystal structure of dipeptidyl-peptidase 4 with an indole scaffold inhibitor
Descriptor: 1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1H-indol-3-yl]methanamine, Dipeptidyl peptidase 4 soluble form
Authors:Xiao, P, Guo, R, Huang, S, Cui, H, Ye, S, Zhang, Z.
Deposit date:2014-03-15
Release date:2015-03-18
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Discovery of dipeptidyl peptidase IV (DPP4) inhibitors based on a novel indole scaffold
Chin.Chem.Lett., 25, 2014
4PNZ
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BU of 4pnz by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with the long-acting inhibitor Omarigliptin (MK-3102)
Descriptor: (2R,3S,5R)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G, Yan, Y.
Deposit date:2014-02-22
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Omarigliptin (MK-3102): A Novel Long-Acting DPP-4 Inhibitor for Once-Weekly Treatment of Type 2 Diabetes.
J.Med.Chem., 57, 2014
4P9T
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BU of 4p9t by Molmil
Structure of the free form of the N-terminal VH1 domain of monomeric alpha-catenin
Descriptor: 1,2-ETHANEDIOL, Catenin alpha-2, DI(HYDROXYETHYL)ETHER, ...
Authors:Shibahara, T, Hirano, Y, Hakoshima, T.
Deposit date:2014-04-04
Release date:2015-04-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the free form of the N-terminal VH1 domain of monomeric alpha-catenin.
Febs Lett., 589, 2015
4PXF
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BU of 4pxf by Molmil
Crystal structure of the active G-protein-coupled receptor opsin in complex with the finger-loop peptide derived from the full-length arrestin-1
Descriptor: ACETATE ION, PALMITIC ACID, Rhodopsin, ...
Authors:Szczepek, M, Scheerer, P.
Deposit date:2014-03-23
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of a common GPCR-binding interface for G protein and arrestin.
Nat Commun, 5, 2014
4Q08
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BU of 4q08 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-04-01
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
4PXT
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BU of 4pxt by Molmil
Structural basis for the assembly of the mitotic motor kinesin-5 into bipolar tetramers
Descriptor: Bipolar kinesin KRP-130
Authors:Scholey, J.E, Nithianantham, S, Scholey, J.M, Al-Bassam, J.
Deposit date:2014-03-25
Release date:2014-04-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the assembly of the mitotic motor Kinesin-5 into bipolar tetramers.
Elife, 3, 2014
4Q5O
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BU of 4q5o by Molmil
Crystal structure of EctD from S. alaskensis with 2-oxoglutarate and 5-hydroxyectoine
Descriptor: (4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-OXOGLUTARIC ACID, Ectoine hydroxylase, ...
Authors:Hoeppner, A, Widderich, N, Bremer, E, Smits, S.H.
Deposit date:2014-04-17
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Crystal structure of the ectoine hydroxylase, a snapshot of the active site.
J.Biol.Chem., 289, 2014
4Q0L
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BU of 4q0l by Molmil
Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor
Descriptor: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ZINC ION
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-04-02
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
4PZH
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BU of 4pzh by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-03-31
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
4S1G
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BU of 4s1g by Molmil
Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin
Authors:Orth, P.
Deposit date:2015-01-13
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
3TUF
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BU of 3tuf by Molmil
Structure of the SpoIIQ-SpoIIIAH pore forming complex.
Descriptor: Stage II sporulation protein Q, Stage III sporulation protein AH
Authors:Levdikov, V.M, Blagova, E.V, Wilkinson, A.J.
Deposit date:2011-09-16
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure of components of an intercellular channel complex in sporulating Bacillus subtilis.
Proc.Natl.Acad.Sci.USA, 109, 2012
4S0Z
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BU of 4s0z by Molmil
Crystal structure of M26V human DJ-1
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Protein DJ-1
Authors:Milkovic, N.M, Wilson, M.A.
Deposit date:2015-01-07
Release date:2015-08-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Transient sampling of aggregation-prone conformations causes pathogenic instability of a parkinsonian mutant of DJ-1 at physiological temperature.
Protein Sci., 24, 2015
4RWV
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BU of 4rwv by Molmil
Crystal structure of PIP3 bound human nuclear receptor LRH-1 (Liver Receptor Homolog 1, NR5A2) in complex with a co-regulator DAX-1 (NR0B1) peptide at 1.86 A resolution
Descriptor: (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology, Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2014-12-05
Release date:2015-01-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Crystal structure of a Homo sapiens hepatocytic transcription factor hB1F-2 (B1F2) in complex with nuclear receptor subfamily 0 group B member 1 (NR0B1, residues 140-154) from human at 1.86 A resolution
To be published
4S2Z
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BU of 4s2z by Molmil
ERK2 Intrinsically active mutant R65S
Descriptor: Mitogen-activated protein kinase 1
Authors:Livnah, O, Karamansha, Y.
Deposit date:2015-01-25
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Multiple mechanisms render Erk proteins MEK-independent
To be Published

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數據於2024-08-21公開中

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