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2RNY
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BU of 2rny by Molmil
Complex Structures of CBP Bromodomain with H4 ack20 Peptide
Descriptor: CREB-binding protein, Histone H4
Authors:Zeng, L, Zhang, Q, Gerona-Navarro, G, Zhou, M.M.
Deposit date:2008-02-03
Release date:2008-05-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structural Basis of Site-Specific Histone Recognition by the Bromodomains of Human Coactivators PCAF and CBP/p300
Structure, 16, 2008
2RJE
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BU of 2rje by Molmil
Crystal structure of L3MBTL1 in complex with H4K20Me2 (residues 17-25), orthorhombic form II
Descriptor: CHLORIDE ION, Histone H4, Lethal(3)malignant brain tumor-like protein
Authors:Allali-Hassani, A, Liu, Y, Herzanych, N, Ouyang, H, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2007-10-14
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
2RSV
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BU of 2rsv by Molmil
Solution structure of human full-length vaccinia related kinase 1 (VRK1)
Descriptor: Serine/threonine-protein kinase VRK1
Authors:Koshiba, S, Tochio, N, Yokoyama, J, Kigawa, T.
Deposit date:2012-07-12
Release date:2013-12-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A strategy for structure determination of large molecular weight protein using isotope labeling methodology with cell-free protein systhesis: application to 45 kDa human vaccinia related kianse 1 (VRK1)
To be Published
1SJQ
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BU of 1sjq by Molmil
NMR Structure of RRM1 from Human Polypyrimidine Tract Binding Protein Isoform 1 (PTB1)
Descriptor: Polypyrimidine tract-binding protein 1
Authors:Simpson, P.J, Monie, T.P, Szendroi, A, Davydova, N, Tyzack, J.K, Conte, M.R, Read, C.M, Cary, P.D, Svergun, D.I, Konarev, P.V, Petoukhov, M.V, Curry, S, Matthews, S.J.
Deposit date:2004-03-04
Release date:2004-09-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and RNA Interactions of the N-Terminal RRM Domains of PTB
Structure, 12, 2004
2RMB
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BU of 2rmb by Molmil
Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Ke, H, Mayrose, D.
Deposit date:1994-01-07
Release date:1995-02-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Cyclophilin a Complexed with Cyclosporin a and N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclosporin A.
Structure, 2, 1994
6LLC
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BU of 6llc by Molmil
Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma
Descriptor: 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ...
Authors:Ye, K, Li, H.
Deposit date:2019-12-23
Release date:2020-11-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Discovery of a dual inhibitor of NQO1 and GSTP1 for treating glioblastoma.
J Hematol Oncol, 13, 2020
2RMR
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BU of 2rmr by Molmil
Solution structure of mSin3A PAH1 domain
Descriptor: Paired amphipathic helix protein Sin3a
Authors:Sahu, S.C, Swanson, K.A, Kang, R.S, Huang, K, Brubaker, K, Ratcliff, K, Radhakrishnan, I.
Deposit date:2007-11-14
Release date:2008-01-22
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Conserved Themes in Target Recognition by the PAH1 and PAH2 Domains of the Sin3 Transcriptional Corepressor
J.Mol.Biol., 375, 2007
2RRB
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BU of 2rrb by Molmil
Refinement of RNA binding domain in human Tra2 beta protein
Descriptor: cDNA FLJ40872 fis, clone TUTER2000283, highly similar to Homo sapiens transformer-2-beta (SFRS10) gene
Authors:Tsuda, K, Kuwasako, K, Takahashi, M, Someya, T, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Sugano, S, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2010-06-17
Release date:2011-04-27
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis for the dual RNA-recognition modes of human Tra2-beta RRM.
Nucleic Acids Res., 39, 2011
1U36
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BU of 1u36 by Molmil
Crystal structure of WLAC mutant of dimerisation domain of NF-kB p50 transcription factor
Descriptor: Nuclear factor NF-kappa-B p105 subunit
Authors:Chirgadze, D.Y, Demydchuk, M, Becker, M, Moran, S, Paoli, M.
Deposit date:2004-07-21
Release date:2004-08-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Snapshot of Protein Structure Evolution Reveals Conservation of Functional Dimerization through Intertwined Folding
Structure, 12, 2004
2UXX
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BU of 2uxx by Molmil
Human LSD1 Histone Demethylase-CoREST in complex with an FAD- tranylcypromine adduct
Descriptor: CHLORIDE ION, FAD-trans-2-Phenylcyclopropylamine Adduct, GLYCEROL, ...
Authors:Yang, M, Culhane, J.C, Machius, M, Cole, P.A, Yu, H.
Deposit date:2007-03-30
Release date:2007-08-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural Basis for the Inhibition of the Lsd1 Histone Demethylase by the Antidepressant Trans-2-Phenylcyclopropylamine.
Biochemistry, 46, 2007
1U8F
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BU of 1u8f by Molmil
Crystal Structure Of Human Placental Glyceraldehyde-3-Phosphate Dehydrogenase At 1.75 Resolution
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, liver, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Jenkins, J.L, Tanner, J.J.
Deposit date:2004-08-05
Release date:2005-08-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:High-resolution structure of human D-glyceraldehyde-3-phosphate dehydrogenase.
Acta Crystallogr.,Sect.D, 62, 2006
2VY4
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BU of 2vy4 by Molmil
U11-48K CHHC ZN-FINGER DOMAIN
Descriptor: U11/U12 SMALL NUCLEAR RIBONUCLEOPROTEIN 48 KDA PROTEIN, ZINC ION
Authors:Tidow, H, Andreeva, A, Rutherford, T.J, Fersht, A.R.
Deposit date:2008-07-17
Release date:2009-02-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the U11-48K CHHC zinc-finger domain that specifically binds the 5' splice site of U12-type introns.
Structure, 17, 2009
6MAJ
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BU of 6maj by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
Descriptor: 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ...
Authors:Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
Deposit date:2018-08-27
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (2.139 Å)
Cite:HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
1U35
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BU of 1u35 by Molmil
Crystal structure of the nucleosome core particle containing the histone domain of macroH2A
Descriptor: H2A histone family, Hist1h4i protein, Histone H3.1, ...
Authors:Chakravarthy, S, Gundimella, S.K, Caron, C, Perche, P.Y, Pehrson, J.R, Khochbin, S, Luger, K.
Deposit date:2004-07-20
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural characterization of the histone variant macroH2A.
Mol.Cell.Biol., 25, 2005
6MAK
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BU of 6mak by Molmil
HBO1 is required for the maintenance of leukaemia stem cells
Descriptor: ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ...
Authors:Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I.
Deposit date:2018-08-27
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
2X6D
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BU of 2x6d by Molmil
Aurora-A bound to an inhibitor
Descriptor: 6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION
Authors:Kosmopoulou, M, Bayliss, R.
Deposit date:2010-02-17
Release date:2010-07-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate.
J. Med. Chem., 53, 2010
6MAU
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BU of 6mau by Molmil
Crystal structure of human BRD4(1) in complex with CN210 (compound 19)
Descriptor: 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol, Bromodomain-containing protein 4, GLYCEROL
Authors:Nadupalli, A, Fontano, E, Connors, C.R, Chan, S.G, Olland, A.M, Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2018-08-28
Release date:2019-04-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases.
Bioorg. Med. Chem. Lett., 29, 2019
2WP2
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BU of 2wp2 by Molmil
Structure of Brdt bromodomain BD1 bound to a diacetylated histone H4 peptide.
Descriptor: BROMODOMAIN TESTIS-SPECIFIC PROTEIN, HISTONE H4
Authors:Moriniere, J, Rousseaux, S, Steuerwald, U, Soler-Lopez, M, Curtet, S, Vitte, A.-L, Govin, J, Gaucher, J, Sadoul, K, Hart, D.J, Krijgsveld, J, Khochbin, S, Mueller, C.W, Petosa, C.
Deposit date:2009-08-02
Release date:2009-09-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Cooperative Binding of Two Acetylation Marks on a Histone Tail by a Single Bromodomain.
Nature, 461, 2009
1SAV
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BU of 1sav by Molmil
HUMAN ANNEXIN V WITH PROLINE SUBSTITUTION BY THIOPROLINE
Descriptor: ANNEXIN V, CALCIUM ION
Authors:Medrano, F.J, Minks, C, Budisa, N, Huber, R.
Deposit date:1997-11-24
Release date:1998-05-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal and molecular structure of human annexin V after refinement. Implications for structure, membrane binding and ion channel formation of the annexin family of proteins.
J.Mol.Biol., 223, 1992
2X25
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BU of 2x25 by Molmil
Free acetyl-CypA orthorhombic form
Descriptor: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Lammers, M, Neumann, H, Chin, J.W, James, L.C.
Deposit date:2010-01-11
Release date:2010-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerization.
Nat.Chem.Biol., 6, 2010
6M6X
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BU of 6m6x by Molmil
Oridonin in complex with CRM1#-Ran-RanBP1
Descriptor: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-03-16
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
6LQ9
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BU of 6lq9 by Molmil
S109 in complex with CRM1-Ran-RanBP1
Descriptor: (3~{R},4~{S})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione, CHLORIDE ION, Exportin-1, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-01-13
Release date:2021-06-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Guided Design of the First Noncovalent Small-Molecule Inhibitor of CRM1.
J.Med.Chem., 64, 2021
6M60
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BU of 6m60 by Molmil
Plumbagin in complex with CRM1#-Ran-RanBP1
Descriptor: (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-03-12
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
6MH7
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BU of 6mh7 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SKT-68, a 1,4,5-trisubstituted imidazole analogue
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
Authors:Zhu, J.-Y, Schonbrunn, E.
Deposit date:2018-09-17
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
J.Med.Chem., 61, 2018
1U41
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BU of 1u41 by Molmil
Crystal structure of YLGV mutant of dimerisation domain of NF-kB p50 transcription factor
Descriptor: Nuclear factor NF-kappa-B p105 subunit
Authors:Chirgadze, D.Y, Demydchuk, M, Becker, M, Moran, S, Paoli, M.
Deposit date:2004-07-23
Release date:2004-08-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Snapshot of Protein Structure Evolution Reveals Conservation of Functional Dimerization through Intertwined Folding
Structure, 12, 2004

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數據於2024-07-17公開中

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