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5I2F
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BU of 5i2f by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) with bound sulfamide inhibitor Bio-AMS
Descriptor: 1,2-ETHANEDIOL, 5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-02-08
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.
Acs Med.Chem.Lett., 7, 2016
5I8B
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BU of 5i8b by Molmil
CBP in complex with Cpd23 ((R)-6-(3-(benzyloxy)phenyl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
Descriptor: (4R)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Murray, J.M.
Deposit date:2016-02-18
Release date:2016-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5218 Å)
Cite:Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5IAO
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BU of 5iao by Molmil
Structure and mapping of spontaneous mutational sites of PyrR from Mycobacterium tuberculosis
Descriptor: 5-FLUOROURACIL, Bifunctional protein PyrR
Authors:Sivaraman, J, Ghode, P, Ramachandran, S.
Deposit date:2016-02-21
Release date:2016-03-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Structure and mapping of spontaneous mutational sites of PyrR from Mycobacterium tuberculosis
Biochem.Biophys.Res.Commun., 471, 2016
2NPA
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BU of 2npa by Molmil
the crystal structure of the human PPARaplpha ligand binding domain in complex with a a-hydroxyimino phenylpropanoic acid
Descriptor: (2R,3E)-2-{4-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHOXY]BENZYL}-3-(PROPOXYIMINO)BUTANOIC ACID, Peroxisome proliferator-activated receptor alpha, SRC- peptide from Nuclear receptor coactivator 1
Authors:Kim, K.H, Chung, H.K, Han, H.O, Kim, S.H, Koh, J.S, Kim, G.T.
Deposit date:2006-10-26
Release date:2007-10-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of oxime ethers of alpha-acyl-beta-phenylpropanoic acids as PPAR dual agonists
Bioorg.Med.Chem.Lett., 17, 2007
2NQ3
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BU of 2nq3 by Molmil
Crystal structure of the C2 Domain of Human Itchy Homolog E3 Ubiquitin Protein Ligase
Descriptor: CHLORIDE ION, Itchy homolog E3 ubiquitin protein ligase
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-10-30
Release date:2006-11-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The C2 Domain of Human Itchy Homolog E3 Ubiquitin Protein Ligase
To be Published
3VN5
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BU of 3vn5 by Molmil
Crystal structure of Aquifex aeolicus RNase H3
Descriptor: Ribonuclease HIII
Authors:Jongruja, N, You, D.J, Eiko, K, Angkawidjaja, C, Koga, Y, Takano, K, Kanaya, S.
Deposit date:2011-12-22
Release date:2012-12-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure and characterization of RNase H3 from Aquifex aeolicus
Febs J., 279, 2012
5IQP
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BU of 5iqp by Molmil
14-3-3 PROTEIN TAU ISOFORM
Descriptor: 14-3-3 protein theta, SULFATE ION
Authors:Xiao, B, Smerdon, S.J, Gamblin, S.J.
Deposit date:2016-03-11
Release date:2016-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Structure of a 14-3-3 protein and implications for coordination of multiple signalling pathways
Nature, 376, 1995
5IN1
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BU of 5in1 by Molmil
Crystal Structure of the MRG701 chromodomain
Descriptor: 1,2-ETHANEDIOL, MRG701, SULFATE ION
Authors:Huang, Y, Liu, Y.
Deposit date:2016-03-07
Release date:2017-03-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural studies on MRG701 chromodomain reveal a novel dimerization interface of MRG proteins in green plants
Protein Cell, 7, 2016
4ZZ6
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BU of 4zz6 by Molmil
Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleotide, cytidine triphosphate at 2.0A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-05-22
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate.
Biochem Biophys Rep, 4, 2015
2K5J
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BU of 2k5j by Molmil
Solution structure of protein yiiF from Shigella flexneri serotype 5b (strain 8401) . Northeast Structural Genomics Consortium target sft1
Descriptor: uncharacterized protein yiiF
Authors:Wu, Y, Singarapu, K, Semesi, A, Yee, A, Bansal, S, Prestegard, J, Arrowsmith, C, Szyperski, T, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-28
Release date:2008-08-26
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structure of protein yiiF from Shigella flexneri serotype 5b (strain 8401) . Northeast Structural Genomics Consortium target sft1
To be Published
3W3Y
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BU of 3w3y by Molmil
Crystal structure of Kap121p bound to Nup53p
Descriptor: Importin subunit beta-3, Nucleoporin NUP53
Authors:Kobayashi, J, Matsuura, Y.
Deposit date:2012-12-28
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for cell-cycle-dependent nuclear import mediated by the karyopherin Kap121p.
J.Mol.Biol., 425, 2013
3W3W
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BU of 3w3w by Molmil
Crystal structure of Kap121p bound to Ste12p
Descriptor: Importin subunit beta-3, Protein STE12
Authors:Kobayashi, J, Matsuura, Y.
Deposit date:2012-12-28
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for cell-cycle-dependent nuclear import mediated by the karyopherin Kap121p.
J.Mol.Biol., 425, 2013
3E8K
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BU of 3e8k by Molmil
Crystal structure of HK97 Prohead II
Descriptor: Major capsid protein
Authors:Gertsman, I, Speir, J, Johnson, J.E.
Deposit date:2008-08-20
Release date:2009-02-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:An unexpected twist in viral capsid maturation.
Nature, 458, 2009
2O4J
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BU of 2o4j by Molmil
Crystal Structure of Rat Vitamin D Receptor Ligand Binding Domain Complexed with VitIII 17-20Z and the NR2 Box of DRIP 205
Descriptor: (1R,3R,7E,17Z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol, Peroxisome proliferator-activated receptor-binding protein, Vitamin D3 receptor
Authors:Vanhooke, J.L, Benning, M.M, DeLuca, H.F.
Deposit date:2006-12-04
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:New analogs of 2-methylene-19-nor-(20S)-1,25-dihydroxyvitamin D(3) with conformationally restricted side chains: Evaluation of biological activity and structural determination of VDR-bound conformations.
Arch.Biochem.Biophys., 460, 2007
2O4R
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BU of 2o4r by Molmil
Crystal Structure of Rat Vitamin D Receptor Ligand Binding Domain Complexed with VitIII 17-20E and the NR2 Box of DRIP 205
Descriptor: (1R,3R,7E,17E)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol, Peroxisome proliferator-activated receptor-binding protein, Vitamin D3 receptor
Authors:Vanhooke, J.L, Benning, M.M, DeLuca, H.F.
Deposit date:2006-12-04
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:New analogs of 2-methylene-19-nor-(20S)-1,25-dihydroxyvitamin D(3) with conformationally restricted side chains: Evaluation of biological activity and structural determination of VDR-bound conformations.
Arch.Biochem.Biophys., 460, 2007
2NV7
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BU of 2nv7 by Molmil
Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555
Descriptor: 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Mewshaw, R.E, Bowen, M.S, Harris, H.A, Xu, Z.B, Manas, E.S, Cohn, S.T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-11-10
Release date:2007-08-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ERbeta ligands. Part 5: synthesis and structure-activity relationships of a series of 4'-hydroxyphenyl-aryl-carbaldehyde oxime derivatives.
Bioorg.Med.Chem.Lett., 17, 2007
2NVN
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BU of 2nvn by Molmil
Crystal structure of a protein with a cupin-like fold and unknown function (YP_400729.1) from Synechococcus SP. PCC 7942 (Elongatus) at 2.50 A resolution
Descriptor: GLYCEROL, Hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-11-13
Release date:2006-12-12
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of hypothetical protein (YP_400729.1) from Synechococcus SP. PCC 7942 (Elongatus) at 2.50 A resolution
To be published
2OGG
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BU of 2ogg by Molmil
Structure of B. subtilis trehalose repressor (TreR) effector binding domain
Descriptor: GLYCEROL, SODIUM ION, SULFATE ION, ...
Authors:Rezacova, P, Krejcirikova, V, Borek, D, Moy, S.F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-01-05
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of the effector-binding domain of the trehalose repressor TreR from Bacillus subtilis 168 reveals a unique quarternary assembly.
Proteins, 69, 2007
2NXX
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BU of 2nxx by Molmil
Crystal Structure of the Ligand-Binding Domains of the T.castaneum (Coleoptera) Heterodimer EcrUSP Bound to Ponasterone A
Descriptor: 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, Ecdysone Receptor (EcR, NRH1), ...
Authors:Iwema, T, Billas, I, Moras, D.
Deposit date:2006-11-20
Release date:2007-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and functional characterization of a novel type of ligand-independent RXR-USP receptor.
Embo J., 26, 2007
1PAX
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BU of 1pax by Molmil
THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE
Descriptor: 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE, POLY(ADP-RIBOSE) POLYMERASE
Authors:Ruf, A, Schulz, G.E.
Deposit date:1996-05-06
Release date:1997-05-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the catalytic fragment of poly(ADP-ribose) polymerase from chicken.
Proc.Natl.Acad.Sci.USA, 93, 1996
8IBQ
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BU of 8ibq by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
Descriptor: 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4
Authors:Cao, D, Zhiyan, D, Xiong, B.
Deposit date:2023-02-10
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
8IDH
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BU of 8idh by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
Descriptor: 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4
Authors:Cao, D, Zhiyan, D, Xiong, B.
Deposit date:2023-02-13
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
1UFR
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BU of 1ufr by Molmil
Crystal Structure of TT1027 from Thermus thermophilus HB8
Descriptor: CHLORIDE ION, pyr mRNA-binding attenuation protein
Authors:Matsuura, T, Sakai, H, Terada, T, Shirouzu, M, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-06-08
Release date:2003-12-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of TT1027 from Thermus thermophilus HB8
To be Published
7SWQ
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BU of 7swq by Molmil
Cryo-EM structure of Arabidopsis Ago10-guide-target RNA complex in a bent duplex conformation
Descriptor: MAGNESIUM ION, Protein argonaute 10, RNA (5'-R(P*CP*CP*AP*UP*UP*GP*UP*CP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)-3'), ...
Authors:Xiao, Y, MacRae, I.J.
Deposit date:2021-11-21
Release date:2022-11-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite:Structural basis for RNA slicing by a plant Argonaute.
Nat.Struct.Mol.Biol., 30, 2023
7SVA
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BU of 7sva by Molmil
Cryo-EM structure of Arabidopsis Ago10-guide RNA complex
Descriptor: MAGNESIUM ION, Protein argonaute 10, RNA (5'-R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP*UP*U)-3')
Authors:Xiao, Y, MacRae, I.J.
Deposit date:2021-11-18
Release date:2022-11-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural basis for RNA slicing by a plant Argonaute.
Nat.Struct.Mol.Biol., 30, 2023

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