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3SOB
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BU of 3sob by Molmil
The structure of the first YWTD beta propeller domain of LRP6 in complex with a FAB
分子名称: CALCIUM ION, Low-density lipoprotein receptor-related protein 6, antibody heavy chain, ...
著者Wang, W, Bourhis, E, Tam, C, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
登録日2011-06-30
公開日2011-09-21
最終更新日2014-05-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
5VL7
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BU of 5vl7 by Molmil
PCSK9 complex with Fab33
分子名称: Fab33 heavy chain, Fab33 light chain, Proprotein convertase subtilisin/kexin type 9
著者Eigenbrot, C, Shia, S.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5VLH
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BU of 5vlh by Molmil
Short PCSK9 delta-P' complex with peptide Pep1
分子名称: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-ARG-LEU-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-PRO-CYS, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5VLL
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BU of 5vll by Molmil
Short PCSK9 delta-P' complex with peptide Pep3
分子名称: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-PHE-ILE-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-LEU-CYS, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
3SOQ
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BU of 3soq by Molmil
The structure of the first YWTD beta propeller domain of LRP6 in complex with a DKK1 peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Dickkopf-related protein 1, ...
著者Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
登録日2011-06-30
公開日2011-09-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
4GR0
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BU of 4gr0 by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470B
分子名称: CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-a lanyl-L-alaninamide, ...
著者Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
登録日2012-08-24
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
7C5D
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BU of 7c5d by Molmil
Crystal structure of TRF2 TRFH domain in complex with a MCPH1 peptide
分子名称: GLYCEROL, Microcephalin, Telomeric repeat-binding factor 2
著者Xiong, X, Chen, Y.
登録日2020-05-19
公開日2020-10-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Microcephalin 1/BRIT1-TRF2 interaction promotes telomere replication and repair, linking telomere dysfunction to primary microcephaly.
Nat Commun, 11, 2020
1N95
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BU of 1n95 by Molmil
Aryl Tetrahydrophyridine Inhbitors of Farnesyltranferase: Glycine, Phenylalanine and Histidine Derivatives
分子名称: 1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ...
著者Gwaltney II, S.L, O'Conner, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z.
登録日2002-11-22
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives.
Bioorg.Med.Chem.Lett., 13, 2003
6QS5
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BU of 6qs5 by Molmil
Crystal Structure of maize CK2 in complex with tyrphostin AG99
分子名称: (~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide, Casein kinase II subunit alpha
著者Lolli, G, Mazzorana, M, Battistutta, R.
登録日2019-02-20
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.961 Å)
主引用文献Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight.
Biochemistry, 51, 2012
6U0D
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BU of 6u0d by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0590
分子名称: Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea
著者Leonard, P.G, Joseph, S.
登録日2019-08-14
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site
J. Med. Chem., 2022
2MJH
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BU of 2mjh by Molmil
Solution structure of the GLD-1 RNA-binding domain in complex with RNA
分子名称: 5'-CUACUCAUAU-3', Female germline-specific tumor suppressor gld-1
著者Daubner, G.M, Allain, F.H.-T.
登録日2014-01-09
公開日2014-05-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and functional implications of the QUA2 domain on RNA recognition by GLD-1.
Nucleic Acids Res., 42, 2014
1N94
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BU of 1n94 by Molmil
Aryl Tetrahydropyridine Inhbitors of Farnesyltransferase: Glycine, Phenylalanine and Histidine Derivates
分子名称: 2-{(5-{[BUTYL-(2-CYCLOHEXYL-ETHYL)-AMINO]-METHYL}-2'-METHYL-BIPHENYL-2-CARBONYL)-AMINO]-4-METHYLSULFANYL-BUTYRIC ACID, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ...
著者Gwaltney II, S.L, O'Connor, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z.
登録日2002-11-22
公開日2003-01-07
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives.
Bioorg.Med.Chem.Lett., 13, 2003
5UV6
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BU of 5uv6 by Molmil
Crystal structure of human Opioid Binding Protein/Cell Adhesion Molecule Like (OPCML)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Opioid-binding protein/cell adhesion molecule, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Birtley, J.R, Stern, L.J, Gabra, H, Zanini, E.
登録日2017-02-19
公開日2018-03-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.65002 Å)
主引用文献Inactivating mutations and X-ray crystal structure of the tumor suppressor OPCML reveal cancer-associated functions.
Nat Commun, 10, 2019
4DO3
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BU of 4do3 by Molmil
Structure of FAAH with a non-steroidal anti-inflammatory drug
分子名称: (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid, CHLORIDE ION, CYCLOHEXANE AMINOCARBOXYLIC ACID, ...
著者Garau, G.
登録日2012-02-09
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A Binding Site for Nonsteroidal Anti-inflammatory Drugs in Fatty Acid Amide Hydrolase.
J.Am.Chem.Soc., 135, 2013
7ZWB
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BU of 7zwb by Molmil
human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide
分子名称: 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2022-05-19
公開日2023-05-31
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献First-in-Class Dual Targeting Compounds for the Management of Seizures in Glucose Transporter Type 1 Deficiency Syndrome.
J.Med.Chem., 66, 2023
6TCU
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BU of 6tcu by Molmil
Glycogen synthase kinase-3 beta (GSK3b) in complex with ligand 1
分子名称: 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide, ACETATE ION, Glycogen synthase kinase-3 beta
著者Lammens, A, Krapp, S, Buonfiglio, R, Ombrato, R.
登録日2019-11-06
公開日2020-09-16
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Optimization of Indazole-Based GSK-3 Inhibitors with Mitigated hERG Issue andIn VivoActivity in a Mood Disorder Model.
Acs Med.Chem.Lett., 11, 2020
5OA5
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BU of 5oa5 by Molmil
CELLOBIOHYDROLASE I (CEL7A) FROM HYPOCREA JECORINA WITH IMPROVED THERMAL STABILITY
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Exoglucanase 1, GLYCEROL
著者Goedegebuur, F, Hansson, H, Karkehabadi, S, Mikkelsen, N, Stahlberg, J, Sandgren, M.
登録日2017-06-20
公開日2017-09-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Improving the thermal stability of cellobiohydrolase Cel7A from Hypocrea jecorina by directed evolution.
J. Biol. Chem., 292, 2017
5LG2
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BU of 5lg2 by Molmil
Horse L type ferritin iron loaded for 60 minutes
分子名称: CADMIUM ION, CHLORIDE ION, FE (III) ION, ...
著者Pozzi, C, Di Pisa, F, Mangani, S.
登録日2016-07-05
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Chemistry at the protein-mineral interface in L-ferritin assists the assembly of a functional ( mu (3)-oxo)Tris[( mu (2)-peroxo)] triiron(III) cluster.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1N9A
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BU of 1n9a by Molmil
Farnesyltransferase complex with tetrahydropyridine inhibitors
分子名称: 1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ...
著者Gwaltney II, S.L, O'Conner, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z.
登録日2002-11-22
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Aryl tetrahydropyridine inhibitors of farnesyltransferase: bioavailable analogues with improved cellular potency.
Bioorg.Med.Chem.Lett., 13, 2003
8TLM
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BU of 8tlm by Molmil
Structure of a class A GPCR/Fab complex
分子名称: C-C chemokine receptor type 8, Green fluorescent protein fusion, Fab heavy chain, ...
著者Sun, D, Johnson, M, Masureel, M.
登録日2023-07-27
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8.
Nat Commun, 14, 2023
8U1U
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BU of 8u1u by Molmil
Structure of a class A GPCR/agonist complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 1,C-C chemokine receptor type 8,EGFP fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Sun, D, Johnson, M, Masureel, M.
登録日2023-09-02
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8.
Nat Commun, 14, 2023
8F1I
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BU of 8f1i by Molmil
SigN RNA polymerase early-melted intermediate bound to mismatch fragment dhsU36mm1 (-12T)
分子名称: DNA (36-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Mueller, A.U, Chen, J, Darst, S.A.
登録日2022-11-05
公開日2023-04-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A general mechanism for transcription bubble nucleation in bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
8F1J
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BU of 8f1j by Molmil
SigN RNA polymerase early-melted intermediate bound to mismatch DNA fragment dhsU36mm2 (-12A)
分子名称: DNA (36-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Mueller, A.U, Chen, J, Darst, S.A.
登録日2022-11-05
公開日2023-04-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献A general mechanism for transcription bubble nucleation in bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
8F1K
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BU of 8f1k by Molmil
SigN RNA polymerase early-melted intermediate bound to full duplex DNA fragment dhsU36 (-12T)
分子名称: DNA (36-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Mueller, A.U, Chen, J, Darst, S.A.
登録日2022-11-05
公開日2023-04-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献A general mechanism for transcription bubble nucleation in bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
8T7V
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BU of 8t7v by Molmil
Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde)
分子名称: (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Bruystens, J.G.H.
登録日2023-06-21
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023

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