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PDB: 17122 件

6XJ3
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Crystal structure of Class D beta-lactamase from Klebsiella quasipneumoniae in complex with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-22
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Class D beta-lactamase from Klebsiella quasipneumoniae
To Be Published
5WR5
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Thermolysin, liganded form with cryo condition 1
分子名称: CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, TETRAETHYLENE GLYCOL, ...
著者Kunishima, N, Naitow, H, Matsuura, Y.
登録日2016-11-29
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
8RJY
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Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3899 (compound 58 in publication)
分子名称: 3C-like proteinase nsp5, ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(4-chlorophenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide
著者Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A.
登録日2023-12-22
公開日2024-05-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
8RSB
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p97 (VCP) mutant - F539A ADP state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
登録日2024-01-24
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献p97 (VCP) mutant - F539A ADP state
To Be Published
8RJV
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Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3778 (compound 12 in publication)
分子名称: (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase nsp5
著者Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A.
登録日2023-12-21
公開日2024-05-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
8RJZ
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Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GUE-3801 (compound 80 in publication)
分子名称: (7~{S})-6-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-14-fluoranyl-10-(iminomethyl)-9-methyl-7-(phenylmethyl)-2-oxa-6,9,10-triazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, ...
著者Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A.
登録日2023-12-22
公開日2024-05-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
8RSC
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p97 (VCP) mutant - F539A
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
登録日2024-01-24
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献p97 (VCP) mutant - F539A
To Be Published
6XKX
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R. capsulatus CIII2CIV tripartite super-complex, conformation A (SC-1A)
分子名称: COPPER (II) ION, Cbb3-type cytochrome c oxidase subunit CcoP,Cytochrome c-type cyt cy, Cytochrome b, ...
著者Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F.
登録日2020-06-27
公開日2020-12-30
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
6GC5
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Molecular basis for AU-rich element recognition and dimerization by the HuR C-terminal RRM
分子名称: AU-rich RNA, ELAV-like protein 1
著者Ripin, N, Allain, F.H.
登録日2018-04-17
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for AU-rich element recognition and dimerization by the HuR C-terminal RRM.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5WV7
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Crystal structure of d(CCGGGGTACCCCGG)2 at 1.4A resolution
分子名称: DNA (5'-D(*CP*CP*GP*GP*GP*GP*TP*AP*CP*CP*CP*CP*GP*G)-3')
著者Karthik, S, Thirugnanasambandam, A, Mandal, P.K, Gautham, N.
登録日2016-12-22
公開日2017-05-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.406 Å)
主引用文献Crystal structure of d(CCGGGGTACCCCGG)2 at 1.4 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6GAZ
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Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. This file contains the 28S ribosomal subunit.
分子名称: 12S ribosomal RNA, mitochondrial, 28S ribosomal protein S18b, ...
著者Kummer, E, Leibundgut, M, Boehringer, D, Ban, N.
登録日2018-04-13
公開日2018-08-08
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM.
Nature, 560, 2018
5X0N
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Regulatory domain of variant C227S AphB from Vibrio vulnificus
分子名称: LysR family transcriptional regulator
著者Song, S, Park, N, Ha, N.-C.
登録日2017-01-22
公開日2017-05-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.993 Å)
主引用文献Crystal Structure of the Regulatory Domain of AphB from Vibrio vulnificus, a Virulence Gene Regulator
Mol. Cells, 40, 2017
6XMJ
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Human 20S proteasome bound to an engineered 11S (PA26) activator
分子名称: Proteasome activator protein PA26, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
著者de la Pena, A.H, Opoku-Nsiah, K.A, Williams, S.K, Chopra, N, Sali, A, Gestwicki, J.E, Lander, G.C.
登録日2020-06-30
公開日2020-07-22
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The Y Phi motif defines the structure-activity relationships of human 20S proteasome activators.
Nat Commun, 13, 2022
5WZJ
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Structure of APUM23-GGAUUUGACGG
分子名称: Pumilio homolog 23, RNA (5'-R(*GP*GP*AP*UP*UP*UP*GP*AP*CP*GP*G)-3')
著者Bao, H, Wang, N, Wang, C, Jiang, Y, Wu, J, Shi, Y.
登録日2017-01-18
公開日2017-09-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural basis for the specific recognition of 18S rRNA by APUM23.
Nucleic Acids Res., 45, 2017
6XTK
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Y114C Transthyretin structure in complex with Tolcalpone
分子名称: Tolcapone, Transthyretin
著者Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S.
登録日2020-01-16
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis.
Febs J., 288, 2021
5X15
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Crystal structure of Streptomyces coelicolor RraAS2, an unusual member of the RNase ES inhibitor RraA protein family
分子名称: Putative transferase
著者Park, N, Jo, I, Ha, N.-C.
登録日2017-01-24
公開日2017-05-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.094 Å)
主引用文献Crystal structure of Streptomyces coelicolor RraAS2, an unusual member of the RNase E inhibitor RraA protein family
J. Microbiol., 55, 2017
6XUG
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Human Ecto-5'-nucleotidase (CD73) in complex with A2410 (compound 53 in publication) in the closed form in crystal form IV
分子名称: 4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole, 5'-nucleotidase, CALCIUM ION, ...
著者Strater, N.
登録日2020-01-19
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6XUQ
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Human Ecto-5'-nucleotidase (CD73) in complex with A1618 (compound 1b in publication) in the closed state in crystal form III
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Strater, N.
登録日2020-01-20
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
5V9I
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Crystal structure of catalytic domain of G9a with MS0105
分子名称: GLYCEROL, Histone-lysine N-methyltransferase EHMT2, N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine, ...
著者Dong, A, Zeng, H, Liu, J, Xiong, Y, Babault, N, Jin, J, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Wu, H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2017-03-23
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of catalytic domain of G9a with MS0105
to be published
6XXN
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Crystal structure of NB7, a nanobody targeting prostate specific membrane antigen
分子名称: NB_7_a,b,c,f, NB_7_g, NB_7_h, ...
著者Shahar, A, Rosenfeld, L, Papo, N.
登録日2020-01-28
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Nanobodies Targeting Prostate-Specific Membrane Antigen for the Imaging and Therapy of Prostate Cancer.
J.Med.Chem., 63, 2020
6G8H
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Flavonoid-responsive Regulator FrrA in complex with (R,S)-Naringenin
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, NARINGENIN, R-naringenin, ...
著者Werner, N, Hoppen, J, Palm, G, Werten, S, Goettfert, M, Hinrichs, W.
登録日2018-04-08
公開日2019-04-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The induction mechanism of the flavonoid-responsive regulator FrrA.
Febs J., 2021
8TL8
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Structure of Orthoreovirus RNA Chaperone SigmaNS R6A mutant in complex with bile acid
分子名称: GLYCOCHOLIC ACID, Protein sigma-NS
著者Prasad, B.V.V, Zhao, B, Hu, L, Neetu, N.
登録日2023-07-26
公開日2024-03-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of orthoreovirus RNA chaperone sigma NS, a component of viral replication factories.
Nat Commun, 15, 2024
5UK0
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CryoEM structure of an influenza virus receptor-binding site antibody-antigen interface - Class 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
著者Liu, Y, Pan, J, Caradonna, T, Jenni, S, Raymond, D.D, Schmidt, A.G, Harrison, S.C, Grigorieff, N.
登録日2017-01-19
公開日2017-05-31
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献CryoEM Structure of an Influenza Virus Receptor-Binding Site Antibody-Antigen Interface.
J. Mol. Biol., 429, 2017
6X6L
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Cryo-EM Structure of CagX and CagY within the dCag3 Helicobacter pylori PR
分子名称: Cag pathogenicity island protein (Cag7), Cag pathogenicity island protein (Cag8)
著者Sheedlo, M.J, Chung, J.M, Sawhney, N, Durie, C.L, Cover, T.L, Ohi, M.D, Lacy, D.B.
登録日2020-05-28
公開日2020-09-30
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM reveals species-specific components within the Helicobacter pylori Cag type IV secretion system core complex.
Elife, 9, 2020
5UML
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CRYSTAL STRUCTURE OF HUMAN MDMX IN COMPLEX WITH 12-MER PEPTIDE INHIBITOR M3
分子名称: PEPTIDE INHIBITOR M3, Protein Mdm4
著者Pazgier, M, Gohain, N, Tolbert, W.D.
登録日2017-01-27
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design of ultrahigh-affinity and dual-specificity peptide antagonists of MDM2 and MDMX for p53 activation
To Be Published

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件を2024-10-02に公開中

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