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7AUC
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Crystal structure of an engineered helicase domain construct for human Bloom syndrome protein (BLM)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Chen, X, Oliver, A.W.
登録日2020-11-02
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Uncovering an allosteric mode of action for a selective inhibitor of human Bloom syndrome protein.
Elife, 10, 2021
7RWH
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BU of 7rwh by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998
分子名称: 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ...
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
7RWG
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BU of 7rwg by Molmil
"Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192
分子名称: (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
7RW7
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BU of 7rw7 by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9
分子名称: (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
6HJJ
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BU of 6hjj by Molmil
Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand
分子名称: 2,5,8,11-TETRAOXATRIDECANE, ACETATE ION, Aurora kinase A, ...
著者Bayliss, R, McIntyre, P.J.
登録日2018-09-04
公開日2018-10-03
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases.
ACS Chem. Biol., 13, 2018
7RW5
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BU of 7rw5 by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1
分子名称: (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Jin, L, Padyana, A.K.
登録日2021-08-19
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
7AYH
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BU of 7ayh by Molmil
Crystal structure of Aurora A in complex with 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-one derivative (compound 2c)
分子名称: 7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one, Aurora kinase A
著者Chaikuad, A, Karatas, M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-11-12
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a "Cut and Glue" Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors.
Molecules, 26, 2021
4CI2
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BU of 4ci2 by Molmil
Structure of the DDB1-CRBN E3 ubiquitin ligase bound to lenalidomide
分子名称: DNA DAMAGE-BINDING PROTEIN 1, PROTEIN CEREBLON, S-Lenalidomide, ...
著者Fischer, E.S, Boehm, K, Thoma, N.H.
登録日2013-12-05
公開日2014-07-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure of the Ddb1-Crbn E3 Ubiquitin Ligase in Complex with Thalidomide.
Nature, 512, 2014
6I11
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BU of 6i11 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 3
分子名称: ACETATE ION, Fascin, ~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide
著者Schuettelkopf, A.W.
登録日2018-10-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6HD0
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BU of 6hd0 by Molmil
Common mode of remodeling AAA ATPases p97/CDC48 by their disassembly cofactors ASPL/PUX1
分子名称: ADENOSINE-5'-DIPHOSPHATE, Plant UBX domain-containing protein 1, Transitional endoplasmic reticulum ATPase
著者Heinemann, U, Roske, Y, Banchenko, S.
登録日2018-08-17
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.728 Å)
主引用文献Common Mode of Remodeling AAA ATPases p97/CDC48 by Their Disassembling Cofactors ASPL/PUX1.
Structure, 27, 2019
4CXG
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BU of 4cxg by Molmil
Regulation of the mammalian elongation cycle by 40S subunit rolling: a eukaryotic-specific ribosome rearrangement
分子名称: 18S RRNA - H44, 18S RRNA - H5-H14, 18S RRNA - H8, ...
著者Budkevich, T.V, Giesebrecht, J, Behrmann, E, Loerke, J, Ramrath, D.J.F, Mielke, T, Ismer, J, Hildebrand, P, Tung, C.-S, Nierhaus, K.H, Sanbonmatsu, K.Y, Spahn, C.M.T.
登録日2014-04-07
公開日2014-07-16
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (8.7 Å)
主引用文献Regulation of the Mammalian Elongation Cycle by Subunit Rolling: A Eukaryotic-Specific Ribosome Rearrangement.
Cell(Cambridge,Mass.), 158, 2014
6IQ6
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BU of 6iq6 by Molmil
Crystal structure of GAPDH
分子名称: (2Z)-4-methoxy-4-oxobut-2-enoic acid, Glyceraldehyde-3-phosphate dehydrogenase
著者Park, J.B, Park, H.Y.
登録日2018-11-06
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural Study of Monomethyl Fumarate-Bound Human GAPDH.
Mol.Cells, 42, 2019
4CRI
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BU of 4cri by Molmil
Crystal Structure of 53BP1 tandem tudor domains in complex with methylated K810 Rb peptide
分子名称: RB1 PROTEIN, TUMOR SUPPRESSOR P53-BINDING PROTEIN 1
著者Krojer, T, Johansson, C, Gileadi, C, Fedorov, O, Carr, S, La Thangue, N.B, Vollmar, M, Crawley, L, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U.
登録日2014-02-26
公開日2014-08-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Lysine Methylation-Dependent Binding of 53BP1 to the Prb Tumor Suppressor.
Proc.Natl.Acad.Sci.USA, 111, 2014
6I16
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BU of 6i16 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 15
分子名称: 6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide, ACETATE ION, Fascin
著者Schuettelkopf, A.W.
登録日2018-10-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
4BL8
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BU of 4bl8 by Molmil
Crystal structure of full-length human Suppressor of fused (SUFU)
分子名称: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Karlstrom, M, Finta, C, Cherry, A.L, Toftgard, R, Jovine, L.
登録日2013-05-02
公開日2013-11-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
6IAM
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BU of 6iam by Molmil
Modulating Protein-Protein Interactions with Visible Light Peptide Backbone Switches
分子名称: POTASSIUM ION, SER-ALA-ARG-ALA-XY5-VAL-HIS-LEU-ARG-LYS-SER-ALA, SODIUM ION, ...
著者Werel, L, Essen, L.-O.
登録日2018-11-27
公開日2019-02-06
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Modulating Protein-Protein Interactions with Visible-Light-Responsive Peptide Backbone Photoswitches.
Chembiochem, 20, 2019
6IQ4
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BU of 6iq4 by Molmil
Nucleosome core particle cross-linked with a hetero-binuclear molecule possessing RAPTA and gold(I) 4-(diphenylphosphino)benzoic acid groups.
分子名称: 4-diphenylphosphanylbenzoic acid, DNA (145-MER), GOLD ION, ...
著者DeFalco, L, Batchelor, L.K, Adhireksan, Z, Dyson, P.J, Davey, C.A.
登録日2018-11-06
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crosslinking Allosteric Sites on the Nucleosome.
Angew.Chem.Int.Ed.Engl., 58, 2019
4D61
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BU of 4d61 by Molmil
Cryo-EM structures of ribosomal 80S complexes with termination factors and cricket paralysis virus IRES reveal the IRES in the translocated state
分子名称: 18S RRNA, 40S RIBOSOMAL PROTEIN S10, 40S RIBOSOMAL PROTEIN S11, ...
著者Muhs, M, Hilal, T, Mielke, T, Skabkin, M.A, Sanbonmatsu, K.Y, Pestova, T.V, Spahn, C.M.T.
登録日2014-11-07
公開日2015-03-04
最終更新日2017-08-30
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Cryo-Em of Ribosomal 80S Complexes with Termination Factors Reveals the Translocated Cricket Paralysis Virus Ires.
Mol.Cell, 57, 2015
6ICZ
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BU of 6icz by Molmil
Cryo-EM structure of a human post-catalytic spliceosome (P complex) at 3.0 angstrom
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ...
著者Zhang, X, Zhan, X, Yan, C, Shi, Y.
登録日2018-09-07
公開日2019-03-13
最終更新日2020-10-14
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of the human spliceosomes before and after release of the ligated exon.
Cell Res., 29, 2019
6IRS
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BU of 6irs by Molmil
human LAT1-4F2hc complex incubated with JPH203
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ...
著者Yan, R.H, Zhao, X, Lei, J.L, Zhou, Q.
登録日2018-11-14
公開日2019-03-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of the human LAT1-4F2hc heteromeric amino acid transporter complex.
Nature, 568, 2019
4D5N
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BU of 4d5n by Molmil
Cryo-EM structures of ribosomal 80S complexes with termination factors and cricket paralysis virus IRES reveal the IRES in the translocated state
分子名称: CRICKET PARALYSIS VIRUS IRES RNA, EUKARYOTIC PEPTIDE CHAIN RELEASE FACTOR SUBUNIT 1
著者Muhs, M, Hilal, T, Mielke, T, Skabkin, M.A, Sanbonmatsu, K.Y, Pestova, T.V, Spahn, C.M.T.
登録日2014-11-06
公開日2015-02-04
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Cryo-Em of Ribosomal 80S Complexes with Termination Factors Reveals the Translocated Cricket Paralysis Virus Ires.
Mol.Cell, 57, 2015
6IMQ
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BU of 6imq by Molmil
Crystal structure of PML B1-box multimers
分子名称: CHLORIDE ION, Protein PML, ZINC ION
著者Li, Y, Ma, X, Chen, Z, Wu, H, Wang, P, Wu, W, Cheng, N, Zeng, L, Zhang, H, Cai, X, Chen, S.J, Chen, Z, Meng, G.
登録日2018-10-23
公開日2019-07-31
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献B1 oligomerization regulates PML nuclear body biogenesis and leukemogenesis.
Nat Commun, 10, 2019
6IRT
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BU of 6irt by Molmil
human LAT1-4F2hc complex bound with BCH
分子名称: (1S,2S,4R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, R.H, Zhao, X, Lei, J.L, Zhou, Q.
登録日2018-11-14
公開日2019-03-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of the human LAT1-4F2hc heteromeric amino acid transporter complex.
Nature, 568, 2019
4D5Y
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BU of 4d5y by Molmil
Cryo-EM structures of ribosomal 80S complexes with termination factors and cricket paralysis virus IRES reveal the IRES in the translocated state
分子名称: 28S Ribosomal RNA, 5.8S Ribosomal RNA, 5S Ribosomal RNA, ...
著者Muhs, M, Hilal, T, Mielke, T, Skabkin, M.A, Sanbonmatsu, K.Y, Pestova, T.V, Spahn, C.M.T.
登録日2014-11-07
公開日2015-03-04
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Cryo-Em Structures of Ribosomal 80S Complexes with Termination Factors and Cricket Paralysis Virus Ires Reveal the Ires in the Translocated State
Mol.Cell, 57, 2015
4BW4
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BU of 4bw4 by Molmil
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
分子名称: 7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one, BROMODOMAIN-CONTAINING PROTEIN 4
著者Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
登録日2013-06-29
公開日2013-09-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014

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