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PDB: 51689 件

3NDH
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Restriction endonuclease in complex with substrate DNA
分子名称: ACETATE ION, CHLORIDE ION, DNA (5'-D(*C*CP*AP*TP*CP*GP*CP*GP*TP*AP*C)-3'), ...
著者Firczuk, M, Wojciechowski, M, Czapinska, H, Bochtler, M.
登録日2010-06-07
公開日2010-07-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献DNA intercalation without flipping in the specific ThaI-DNA complex
Nucleic Acids Res., 39, 2011
6TA6
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MexAB assembly of the Pseudomonas MexAB-OprM efflux pump reconstituted in nanodiscs
分子名称: Efflux pump membrane transporter, MexA family multidrug efflux RND transporter periplasmic adaptor subunit, Outer membrane protein OprM
著者Glavier, M, Schoehn, G, Taveau, J.C, Phan, G, Daury, L, Lambert, O, Broutin, I.
登録日2019-10-29
公開日2020-09-16
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Antibiotic export by MexB multidrug efflux transporter is allosterically controlled by a MexA-OprM chaperone-like complex.
Nat Commun, 11, 2020
5EE7
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Crystal structure of the human glucagon receptor (GCGR) in complex with the antagonist MK-0893
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3-[[4-[(1~{S})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid, Glucagon receptor,Endolysin,Glucagon receptor, ...
著者Jazayeri, A, Dore, A.S, Lamb, D, Krishnamurthy, H, Southall, S.M, Baig, A.H, Bortolato, A, Koglin, M, Robertson, N.J, Errey, J.C, Andrews, S.P, Brown, A.J.H, Cooke, R.M, Weir, M, Marshall, F.H.
登録日2015-10-22
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Extra-helical binding site of a glucagon receptor antagonist.
Nature, 533, 2016
1AFE
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BU of 1afe by Molmil
HUMAN ALPHA-THROMBIN INHIBITION BY CBZ-PRO-AZALYS-ONP
分子名称: 2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ...
著者De Simone, G, Balliano, G, Milla, P, Gallina, C, Giordano, C, Tarricone, C, Rizzi, M, Bolognesi, M, Ascenzi, P.
登録日1997-03-06
公開日1997-12-03
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study.
J.Mol.Biol., 269, 1997
6GKD
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human NBD1 of CFTR in complex with nanobodies D12 and G3a
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, GLYCEROL, ...
著者Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C.
登録日2018-05-18
公開日2019-06-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Domain-interface dynamics of CFTR revealed by stabilizing nanobodies.
Nat Commun, 10, 2019
1A23
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SOLUTION NMR STRUCTURE OF REDUCED DSBA FROM ESCHERICHIA COLI, MINIMIZED AVERAGE STRUCTURE
分子名称: DSBA
著者Schirra, H.J, Renner, C, Czisch, M, Huber-Wunderlich, M, Holak, T.A, Glockshuber, R.
登録日1998-01-15
公開日1998-09-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of reduced DsbA from Escherichia coli in solution.
Biochemistry, 37, 1998
6T6E
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Crystal Structure of the C-terminal domain of the HIV-1 Integrase (PNL4-3)
分子名称: NICKEL (II) ION, Pol protein
著者Ruff, M, Negroni, M.
登録日2019-10-18
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献NKNK: a New Essential Motif in the C-Terminal Domain of HIV-1 Group M Integrases.
J.Virol., 94, 2020
6T6J
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Crystal Structure of the C-terminal domain of the HIV-1 Integrase (subtype A2, mutant N254K, K340Q)
分子名称: NICKEL (II) ION, Pol protein
著者Ruff, M, Negroni, M.
登録日2019-10-18
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献NKNK: a New Essential Motif in the C-Terminal Domain of HIV-1 Group M Integrases.
J.Virol., 94, 2020
5GVT
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Crystal structures of the serine protease domain of murine plasma kallikrein
分子名称: Plasma kallikrein, alpha-D-mannopyranose, beta-D-mannopyranose
著者Xu, M, Jiang, L, Huang, M.
登録日2016-09-06
公開日2017-11-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal Structures of the Serine Protease Domain of Murine Plasma Kallikrein
Chin.J.Struct.Chem., 36, 2017
6C0M
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The synthesis, biological evaluation and structural insights of unsaturated 3-N-substituted sialic acids as probes of human parainfluenza virus-3 haemagglutinin-neuraminidase
分子名称: 1,2-ETHANEDIOL, 2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Dirr, L, Ve, T, von Itzstein, M.
登録日2018-01-01
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural Insights into Human Parainfluenza Virus 3 Hemagglutinin-Neuraminidase Using Unsaturated 3- N-Substituted Sialic Acids as Probes.
ACS Chem. Biol., 13, 2018
5GOX
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Eukaryotic Rad50 Functions as A Rod-shaped Dimer
分子名称: DNA repair protein RAD50, GLYCEROL, ZINC ION
著者Park, Y.B, Hohl, M, Padjasek, M, Jeong, E, Jin, K.S, Krezel, A, Petrini, J.H.J, Cho, Y.
登録日2016-07-30
公開日2017-02-01
最終更新日2017-03-15
実験手法X-RAY DIFFRACTION (2.405 Å)
主引用文献Eukaryotic Rad50 functions as a rod-shaped dimer
Nat. Struct. Mol. Biol., 24, 2017
5H65
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Crystal structure of human POT1 and TPP1
分子名称: Adrenocortical dysplasia protein homolog, Protection of telomeres protein 1, ZINC ION
著者Chen, C, Wu, J, Lei, M.
登録日2016-11-10
公開日2017-05-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into POT1-TPP1 interaction and POT1 C-terminal mutations in human cancer.
Nat Commun, 8, 2017
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
分子名称: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8B1X
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BU of 8b1x by Molmil
Solution NMR structure of the single alpha helix peptide (P3-7)2
分子名称: P3-7_2
著者Escobedo, A, Coles, M, Diercks, T, Garcia, J, Millet, O, Salvatella, X.
登録日2022-09-12
公開日2023-01-25
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A glutamine-based single alpha-helix scaffold to target globular proteins.
Nat Commun, 13, 2022
8HTS
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Crystal structure of Bcl2 in complex with S-10r
分子名称: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
7P22
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Thaumatin-like protein of Amycolatopsis rifamycinica
分子名称: Thaumatin pathogenesis-like protein
著者Eder, M, Hofer, G, Odabas, M, Keller, W.
登録日2021-07-03
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The structure of Thaumatin-like proteins of a bacterial, a fungal and an animal origin
To Be Published
7P9A
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Structure of cyclohex-1-ene-1-carboxyl-CoA dehydrogenase complexed with cyclohex-1,5-diene-1-carboxyl-CoA
分子名称: 1,5 Dienoyl-CoA, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Ermler, U, Weidenweber, S, Boll, M.
登録日2021-07-26
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis of Cyclic 1,3-Diene Forming Acyl-Coenzyme A Dehydrogenases.
Chembiochem, 22, 2021
6CRF
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BU of 6crf by Molmil
Crystal Structure of Shp2 E76K GOF Mutant in the Open Conformation
分子名称: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
著者Stams, T, Fodor, M.
登録日2018-03-17
公開日2018-11-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural reorganization of SHP2 by oncogenic mutations and implications for oncoprotein resistance to allosteric inhibition.
Nat Commun, 9, 2018
6G91
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Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-10
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6G9K
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Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-11
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
5JXB
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PSD-95 extended PDZ3 in complex with SynGAP PBM
分子名称: Disks large homolog 4,SynGAP
著者Shang, Y, Zhang, M.
登録日2016-05-13
公開日2016-09-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Phase Transition in Postsynaptic Densities Underlies Formation of Synaptic Complexes and Synaptic Plasticity.
Cell, 166, 2016
1A24
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SOLUTION NMR STRUCTURE OF REDUCED DSBA FROM ESCHERICHIA COLI, FAMILY OF 20 STRUCTURES
分子名称: DSBA
著者Schirra, H.J, Renner, C, Czisch, M, Huber-Wunderlich, M, Holak, T.A, Glockshuber, R.
登録日1998-01-15
公開日1998-09-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of reduced DsbA from Escherichia coli in solution.
Biochemistry, 37, 1998
6QGW
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Crystal structure of E.coli BamA beta-barrel in complex with nanobody E6
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, NanoE6, Outer membrane protein assembly factor BamA
著者Hartmann, J.-B, Kaur, H, Jakob, R.P, Zahn, M, Zimmermann, I, Seeger, M, Maier, T, Hiller, S.
登録日2019-01-14
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.938 Å)
主引用文献Identification of conformation-selective nanobodies against the membrane protein insertase BamA by an integrated structural biology approach.
J.Biomol.Nmr, 73, 2019
6X20
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PDZ domain from choanoflagellate GIPC (mbGIPC) bound to B1AR peptide
分子名称: mbGIPC protein
著者Gao, M, Amacher, J.F.
登録日2020-05-19
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献Structural characterization and computational analysis of PDZ domains in Monosiga brevicollis.
Protein Sci., 29, 2020
4MY6
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EnaH-EVH1 in complex with peptidomimetic low-molecular weight inhibitor Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-OH
分子名称: (3aR,5aS,8S,10aS)-1-[(3S,6R,8aS)-1'-[(2S)-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-10-oxidanylidene-2,3,3a,5a,8,10a-hexahydrodipyrrolo[3,2-b:3',1'-f]azepine-8-carboxylic acid, BROMIDE ION, Protein enabled homolog
著者Barone, M, Roske, Y, Kuehne, R.
登録日2013-09-27
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A modular toolkit to inhibit proline-rich motif-mediated protein-protein interactions.
Proc.Natl.Acad.Sci.USA, 112, 2015

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件を2024-09-04に公開中

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