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6BX3
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BU of 6bx3 by Molmil
Structure of histone H3k4 methyltransferase
Descriptor: COMPASS component BRE2, COMPASS component SDC1, COMPASS component SPP1, ...
Authors:Skiniotis, G, Qu, Q.H.
Deposit date:2017-12-16
Release date:2018-09-05
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure and Conformational Dynamics of a COMPASS Histone H3K4 Methyltransferase Complex.
Cell, 174, 2018
4AQ3
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BU of 4aq3 by Molmil
HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR
Descriptor: APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide
Authors:Bertrand, J.A, Fasolini, M, Modugno, M.
Deposit date:2012-04-12
Release date:2012-06-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of a Phenylacylsulfonamide Series of Dual Bcl-2/Bcl-Xl Antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
3UR4
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BU of 3ur4 by Molmil
Crystal structure of human WD repeat domain 5 with compound
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-11-21
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
6C2Y
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BU of 6c2y by Molmil
Human GRK2 in complex with Gbetagamma subunits and CCG257142
Descriptor: (4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Bouley, R, Tesmer, J.J.G.
Deposit date:2018-01-09
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Utilizing a structure-based docking approach to develop potent G protein-coupled receptor kinase (GRK) 2 and 5 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6VMS
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BU of 6vms by Molmil
Structure of a D2 dopamine receptor-G-protein complex in a lipid membrane
Descriptor: Endolysin,D(2) dopamine receptor,D(2) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yin, J, Chen, K.M, Clark, M.J, Hijazi, M, Kumari, P, Bai, X, Sunahara, R.K, Barth, P, Rosenbaum, D.M.
Deposit date:2020-01-28
Release date:2020-06-17
Last modified:2020-08-19
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of a D2 dopamine receptor-G-protein complex in a lipid membrane.
Nature, 584, 2020
3VH9
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BU of 3vh9 by Molmil
Crystal structure of Aeromonas proteolytica aminopeptidase complexed with 8-quinolinol
Descriptor: Bacterial leucyl aminopeptidase, CHLORIDE ION, GLYCEROL, ...
Authors:Saijo, S, Hanaya, K, Suetsugu, M, Kobayashi, K, Yamato, I, Aoki, S.
Deposit date:2011-08-24
Release date:2012-05-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Potent inhibition of dinuclear zinc(II) peptidase, an aminopeptidase from Aeromonas proteolytica, by 8-quinolinol derivatives: inhibitor design based on Zn(2+) fluorophores, kinetic, and X-ray crystallographic study.
J.Biol.Inorg.Chem., 17, 2012
5ZCU
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BU of 5zcu by Molmil
Crystal structure of RCAR3:PP2C wild-type with pyrabactin
Descriptor: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, ABA receptor RCAR3, MAGNESIUM ION, ...
Authors:Han, S, Lee, Y, Lee, S.
Deposit date:2018-02-20
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.413 Å)
Cite:Structural determinants for pyrabactin recognition in ABA receptors in Oryza sativa.
Plant Mol.Biol., 100, 2019
3V5W
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BU of 3v5w by Molmil
Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine
Descriptor: G-protein coupled receptor kinase 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Thal, D.M, Tesmer, J.J.G.
Deposit date:2011-12-17
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Paroxetine is a direct inhibitor of g protein-coupled receptor kinase 2 and increases myocardial contractility.
Acs Chem.Biol., 7, 2012
3V7D
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BU of 3v7d by Molmil
Crystal Structure of ScSkp1-ScCdc4-pSic1 peptide complex
Descriptor: Cell division control protein 4, Protein SIC1, Suppressor of kinetochore protein 1
Authors:Tang, X, Orlicky, S, Mittag, T, Csizmok, V, Pawson, T, Forman-Kay, J, Sicheri, F, Tyers, M.
Deposit date:2011-12-20
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.306 Å)
Cite:Composite low affinity interactions dictate recognition of the cyclin-dependent kinase inhibitor Sic1 by the SCFCdc4 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UVN
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BU of 3uvn by Molmil
Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1A
Descriptor: Histone-lysine N-methyltransferase SETD1A, WD repeat-containing protein 5
Authors:Zhang, P, Lee, H, Brunzelle, J.S, Couture, J.-F.
Deposit date:2011-11-30
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:The plasticity of WDR5 peptide-binding cleft enables the binding of the SET1 family of histone methyltransferases.
Nucleic Acids Res., 40, 2012
5ZEP
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BU of 5zep by Molmil
M. smegmatis hibernating state 70S ribosome structure
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Mishra, S, Ahmed, T, Tyagi, A, Shi, J, Bhushan, S.
Deposit date:2018-02-27
Release date:2018-09-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of Mycobacterium smegmatis 70S ribosomes in complex with HPF, tmRNA, and P-tRNA.
Sci Rep, 8, 2018
6C24
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BU of 6c24 by Molmil
Cryo-EM structure of PRC2 bound to cofactors AEBP2 and JARID2 in the Extended Active State
Descriptor: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH2, JARID2-substrate, ...
Authors:Kasinath, V, Faini, M, Poepsel, S, Reif, D, Feng, A, Stjepanovic, G, Aebersold, R, Nogales, E.
Deposit date:2018-01-06
Release date:2018-01-24
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of human PRC2 with its cofactors AEBP2 and JARID2.
Science, 359, 2018
5ZWM
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BU of 5zwm by Molmil
Cryo-EM structure of the yeast pre-B complex at an average resolution of 3.4~4.6 angstrom (tri-snRNP and U2 snRNP Part)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 66 kDa U4/U6.U5 small nuclear ribonucleoprotein component, Cold sensitive U2 snRNA suppressor 1, ...
Authors:Bai, R, Wan, R, Yan, C, Lei, J, Shi, Y.
Deposit date:2018-05-16
Release date:2018-08-29
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of the fully assembledSaccharomyces cerevisiaespliceosome before activation
Science, 360, 2018
6BW3
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BU of 6bw3 by Molmil
Crystal structure of RBBP4 in complex with PRDM3 N-terminal peptide
Descriptor: Histone-binding protein RBBP4, MDS1 and EVI1 complex locus protein MDS1, UNKNOWN ATOM OR ION
Authors:Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-12-14
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex.
Nucleic Acids Res., 47, 2019
6BSN
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BU of 6bsn by Molmil
Structure of proline utilization A (PutA) with proline bound in remote sites
Descriptor: Bifunctional protein PutA, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, PROLINE, ...
Authors:Tanner, J.J, Korasick, D.A.
Deposit date:2017-12-04
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Basis for the Substrate Inhibition of Proline Utilization A by Proline.
Molecules, 23, 2017
6BW4
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BU of 6bw4 by Molmil
Crystal structure of RBBP4 in complex with PRDM16 N-terminal peptide
Descriptor: Histone-binding protein RBBP4, PR domain zinc finger protein 16, UNKNOWN ATOM OR ION
Authors:Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-12-14
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex.
Nucleic Acids Res., 47, 2019
3WEV
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BU of 3wev by Molmil
Crystal structure of the Schiff base intermediate of L-Lys epsilon-oxidase from Marinomonas mediterranea with L-Lys
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, L-lysine 6-oxidase, ...
Authors:Okazaki, S, Nakano, S, Matsui, D, Akaji, S, Inagaki, K, Asano, Y.
Deposit date:2013-07-12
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:X-Ray crystallographic evidence for the presence of the cysteine tryptophylquinone cofactor in L-lysine {varepsilon}-oxidase from Marinomonas mediterranea
J.Biochem., 154, 2013
4DPV
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BU of 4dpv by Molmil
PARVOVIRUS/DNA COMPLEX
Descriptor: DNA (5'-D(*AP*TP*AP*CP*CP*TP*CP*TP*TP*GP*C)-3'), MAGNESIUM ION, PROTEIN (PARVOVIRUS COAT PROTEIN)
Authors:Chapman, M.S, Rossmann, M.G.
Deposit date:1996-02-01
Release date:1997-04-01
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Canine parvovirus capsid structure, analyzed at 2.9 A resolution.
J.Mol.Biol., 264, 1996
3UBX
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BU of 3ubx by Molmil
Crystal structure of the mouse CD1d-C20:2-aGalCer-L363 mAb Fab complex
Descriptor: (11Z,14Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yu, E.D, Zajonc, D.M.
Deposit date:2011-10-25
Release date:2011-11-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for the recognition of C20:2-alpha GalCer by the invariant natural killer T cell receptor-like antibody L363.
J.Biol.Chem., 287, 2012
3WEU
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BU of 3weu by Molmil
Crystal structure of the L-Lys epsilon-oxidase from Marinomonas mediterranea
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, L-lysine 6-oxidase, ...
Authors:Okazaki, S, Nakano, S, Matsui, D, Akaji, S, Inagaki, K, Asano, Y.
Deposit date:2013-07-12
Release date:2013-09-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:X-Ray crystallographic evidence for the presence of the cysteine tryptophylquinone cofactor in L-lysine {varepsilon}-oxidase from Marinomonas mediterranea
J.Biochem., 154, 2013
3W15
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BU of 3w15 by Molmil
Structure of peroxisomal targeting signal 2 (PTS2) of Saccharomyces cerevisiae 3-ketoacyl-CoA thiolase in complex with Pex7p and Pex21p
Descriptor: 3-ketoacyl-CoA thiolase, peroxisomal, Maltose-binding periplasmic protein, ...
Authors:Pan, D, Nakatsu, T, Kato, H.
Deposit date:2012-11-06
Release date:2013-07-03
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of peroxisomal targeting signal-2 bound to its receptor complex Pex7p-Pex21p
Nat.Struct.Mol.Biol., 20, 2013
3UVK
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BU of 3uvk by Molmil
Crystal structure of WDR5 in complex with the WDR5-interacting motif of MLL2
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase MLL2, SULFATE ION, ...
Authors:Zhang, P, Lee, H, Brunzelle, J.S, Couture, J.-F.
Deposit date:2011-11-30
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The plasticity of WDR5 peptide-binding cleft enables the binding of the SET1 family of histone methyltransferases.
Nucleic Acids Res., 40, 2012
3UZS
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BU of 3uzs by Molmil
Structure of the C13.28 RNA Aptamer Bound to the G Protein-Coupled Receptor Kinase 2-Heterotrimeric G Protein Beta 1 and Gamma 2 Subunit Complex
Descriptor: Beta-adrenergic receptor kinase 1, C13.28 RNA Aptamer, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tesmer, J.J.G, Tesmer, V.M.
Deposit date:2011-12-07
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.52 Å)
Cite:Molecular mechanism for inhibition of g protein-coupled receptor kinase 2 by a selective RNA aptamer.
Structure, 20, 2012
2KNE
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BU of 2kne by Molmil
Calmodulin wraps around its binding domain in the plasma membrane CA2+ pump anchored by a novel 18-1 motif
Descriptor: ATPase, Ca++ transporting, plasma membrane 4, ...
Authors:Juranic, N, Atanasova, E, Filoteo, A.G, Macura, S, Prendergast, F.G, Penniston, J.T, Strehler, E.E.
Deposit date:2009-08-21
Release date:2009-11-24
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Calmodulin wraps around its binding domain in the plasma membrane Ca2+ pump anchored by a novel 18-1 motif.
J.Biol.Chem., 285, 2010
2KHG
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BU of 2khg by Molmil
Plantaricin J in TFE
Descriptor: PlnJ
Authors:Rogne, P, Haugen, C, Kristiansen, P, Nissen-Meyer, J.
Deposit date:2009-04-06
Release date:2009-06-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Three-dimensional structure of the two-peptide bacteriocin plantaricin JK
Peptides, 30, 2009

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