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5UVY
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BRD4 Bromodomain 2 with A-1349391
分子名称: 6-methyl-4-(2-phenoxyphenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Bromodomain-containing protein 4
著者Park, C.H.
登録日2017-02-20
公開日2017-06-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献BRD4 Bromodomain 2 with A-1349391
To Be Published
1BA8
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BU of 1ba8 by Molmil
THROMBIN INHIBITOR WITH A RIGID TRIPEPTIDYL ALDEHYDES
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUGEN, THROMBIN, ...
著者Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
登録日1998-04-23
公開日1999-04-27
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
5UP0
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BU of 5up0 by Molmil
Crystal structure of human PDE1B catalytic domain in complex with inhibitor 3 (6-(4-chlorobenzyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one)
分子名称: 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ...
著者Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K.
登録日2017-02-01
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
1AP5
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BU of 1ap5 by Molmil
TYR34->PHE MUTANT OF HUMAN MITOCHONDRIAL MANGANESE SUPEROXIDE DISMUTASE
分子名称: MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE
著者Guan, Y, Borgstahl, G.E.O, Tainer, J.A.
登録日1997-07-24
公開日1998-01-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Y34F mutant human mitochondrial manganese superoxide dismutase and the functional role of tyrosine 34.
Biochemistry, 37, 1998
5V4K
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BU of 5v4k by Molmil
Crystal structure of NEDD4 LIR-fused human LC3B_2-119
分子名称: GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3B,Microtubule-associated proteins 1A/1B light chain 3B,Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION
著者Qiu, Y, Zheng, Y, Schulman, B.
登録日2017-03-09
公開日2017-05-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Insights into links between autophagy and the ubiquitin system from the structure of LC3B bound to the LIR motif from the E3 ligase NEDD4.
Protein Sci., 26, 2017
5VAD
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BU of 5vad by Molmil
Crystal structure of human Prolyl-tRNA synthetase (PRS) in complex with inhibitor
分子名称: 3-[(cyclohexanecarbonyl)amino]-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ...
著者Okada, K, Skene, R.J.
登録日2017-03-24
公開日2017-05-31
最終更新日2017-06-07
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Discovery of a novel prolyl-tRNA synthetase inhibitor and elucidation of its binding mode to the ATP site in complex with l-proline.
Biochem. Biophys. Res. Commun., 488, 2017
4ZG0
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BU of 4zg0 by Molmil
Crystal structure of Mouse Syndesmos protein
分子名称: Protein syndesmos
著者Lee, I, Kim, H, Yoo, J, Cho, H, Lee, W.
登録日2015-04-22
公開日2016-04-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Crystal structure of syndesmos and its interaction with Syndecan-4 proteoglycan
Biochem.Biophys.Res.Commun., 463, 2015
3I2E
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BU of 3i2e by Molmil
Crystal structure of human dimethylarginine dymethylaminohydrolase-1 (DDAH-1)
分子名称: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1
著者Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Robertus, J.D, Fast, W.
登録日2009-06-29
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide.
Biochemistry, 48, 2009
1B22
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BU of 1b22 by Molmil
RAD51 (N-TERMINAL DOMAIN)
分子名称: DNA REPAIR PROTEIN RAD51
著者Aihara, H, Ito, Y, Kurumizaka, H, Yokoyama, S, Shibata, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日1998-12-04
公開日1999-12-03
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献The N-terminal domain of the human Rad51 protein binds DNA: structure and a DNA binding surface as revealed by NMR.
J.Mol.Biol., 290, 1999
5V9T
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BU of 5v9t by Molmil
Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48)
分子名称: Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ...
著者Kiefer, J.R, Liang, J, Vinogradova, M.
登録日2017-03-23
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5VAL
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BU of 5val by Molmil
BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide
分子名称: N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2017-03-27
公開日2017-06-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
5VCL
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BU of 5vcl by Molmil
Structure of the Qdm peptide bound to Qa-1a
分子名称: Beta-2-microglobulin, GLYCEROL, H2-T23 protein, ...
著者Ying, G, Zajonc, D.M.
登録日2017-03-31
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of Qa-1a with bound Qa-1 determinant modifier peptide.
PLoS ONE, 12, 2017
1VA2
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BU of 1va2 by Molmil
Solution Structure of Transcription Factor Sp1 DNA Binding Domain (Zinc Finger 2)
分子名称: Transcription factor Sp1, ZINC ION
著者Oka, S, Shiraishi, Y, Yoshida, T, Ohkubo, T, Sugiura, Y, Kobayashi, Y.
登録日2004-02-07
公開日2005-02-08
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR structure of transcription factor Sp1 DNA binding domain
Biochemistry, 43, 2004
5UVW
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BU of 5uvw by Molmil
BRD4_Bromodomain1-A1376855
分子名称: Bromodomain-containing protein 4, N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide, SULFATE ION
著者Park, C.H.
登録日2017-02-20
公開日2017-06-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献BRD4_Bromodomain1-A1376855
To Be Published
1UKX
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BU of 1ukx by Molmil
Solution structure of the RWD domain of mouse GCN2
分子名称: GCN2 eIF2alpha kinase
著者Nameki, N, Yoneyama, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-09-03
公開日2004-08-03
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the RWD domain of the mouse GCN2 protein.
Protein Sci., 13, 2004
4ZML
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BU of 4zml by Molmil
Crystal structure of human P-cadherin (ss-dimer)
分子名称: CALCIUM ION, CHLORIDE ION, Cadherin-3, ...
著者Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
登録日2015-05-04
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism
Structure, 24, 2016
1UM1
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BU of 1um1 by Molmil
Solution Structure of RSGI RUH-007, PDZ domain in Human cDNA
分子名称: KIAA1849 protein
著者Doi-Katayama, Y, Hayashi, F, Hirota, H, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-09-22
公開日2004-03-22
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution Structure of RSGI RUH-007, a PDZ Domain in Human cDNA
To be Published
4Z93
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BU of 4z93 by Molmil
BRD4 bromodomain 2 in complex with gamma-carboline-containing compound, number 18.
分子名称: 1,2-ETHANEDIOL, 1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole, Bromodomain-containing protein 4
著者Meagher, J.L, Stuckey, J.A.
登録日2015-04-09
公開日2015-07-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structure-Based Design of gamma-Carboline Analogues as Potent and Specific BET Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
4Z97
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BU of 4z97 by Molmil
Crystal structure of USP7 in complex with DNMT1(K1115Q)
分子名称: DNA (cytosine-5)-methyltransferase 1, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7
著者Zhang, Z.M, Song, J.
登録日2015-04-09
公開日2016-10-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.998 Å)
主引用文献Crystal structure of USP7 in complex with DNMT1(K1115Q)
To Be Published
3HO4
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BU of 3ho4 by Molmil
Crystal structure of Hedgehog-interacting protein (HHIP)
分子名称: Hedgehog-interacting protein
著者Hymowitz, S.G, Bosanac, I.
登録日2009-06-01
公開日2009-06-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structure of SHH in complex with HHIP reveals a recognition role for the Shh pseudo active site in signaling.
Nat.Struct.Mol.Biol., 16, 2009
1D3H
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BU of 1d3h by Molmil
HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH ANTIPROLIFERATIVE AGENT A771726
分子名称: (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide, ACETATE ION, DIHYDROOROTATE DEHYDROGENASE, ...
著者Liu, S, Neidhardt, E.A, Grossman, T.H, Ocain, T, Clardy, J.
登録日1999-09-29
公開日2000-08-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of human dihydroorotate dehydrogenase in complex with antiproliferative agents.
Structure Fold.Des., 8, 2000
5THS
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BU of 5ths by Molmil
Crystal Structure of G302A HDAC8 in complex with M344
分子名称: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ...
著者Porter, N.J, Christianson, D.W.
登録日2016-09-30
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
5KXA
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BU of 5kxa by Molmil
Selective Inhibition of Autotaxin is Effective in Mouse Models of Liver Fibrosis
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid, CALCIUM ION, ...
著者Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F.
登録日2016-07-20
公開日2016-11-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Selective Inhibition of Autotaxin Is Efficacious in Mouse Models of Liver Fibrosis.
J. Pharmacol. Exp. Ther., 360, 2017
3HX0
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ternary complex of L277A, H511A, R514 mutant pol lambda bound to a 2 nucleotide gapped DNA substrate with a scrunched dA
分子名称: 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*T)-3', 5'-D(*CP*GP*GP*CP*AP*AP*AP*TP*AP*CP*TP*G)-3', ...
著者Garcia-Diaz, M, Bebenek, K, Larrea, A.A, Havener, J.M, Perera, L, Krahn, J.M, Pedersen, L.C, Ramsden, D.A, Kunkel, T.A.
登録日2009-06-19
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Scrunching During DNA Repair Synthesis
To be Published
3HS8
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Intersectin 1-peptide-AP2 alpha ear complex
分子名称: Adaptor protein complex AP-2, alpha 2 subunit, peptide from Intersectin-1, ...
著者Vahedi-Faridi, A, Pechstein, A, Schaefer, J.G, Saenger, W, Haucke, V.
登録日2009-06-10
公開日2010-02-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Regulation of synaptic vesicle recycling by complex formation between intersectin 1 and the clathrin adaptor complex AP2.
Proc.Natl.Acad.Sci.USA, 107, 2010

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