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6SJQ
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1.7-A resolution crystal structure of the N-terminal domain of T. brucei BILBO1
分子名称: Flagellar pocket-related cytoskeletal protein, GLYCEROL
著者Vidilaseris, K, Dong, G.
登録日2019-08-13
公開日2020-01-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Crystal structure of the N-terminal domain of the trypanosome flagellar protein BILBO1 reveals a ubiquitin fold with a long structured loop for protein binding.
J.Biol.Chem., 295, 2020
6SNC
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BU of 6snc by Molmil
crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, LNO1 Heavy Chain, ...
著者Caillat, C, Pinto, D, Corti, D, Fenwick, C, Pantaleo, G, Weissenhorn, W.
登録日2019-08-23
公開日2019-11-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01.
Cell Host Microbe, 26, 2019
6SW9
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BU of 6sw9 by Molmil
IC2A model of cryo-EM structure of a full archaeal ribosomal translation initiation complex devoid of aIF1 in P. abyssi
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Coureux, P.-D, Mechulam, Y, Schmitt, E.
登録日2019-09-20
公開日2020-02-19
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-EM study of an archaeal 30S initiation complex gives insights into evolution of translation initiation.
Commun Biol, 3, 2020
4LY6
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BU of 4ly6 by Molmil
Nucleotide-induced asymmetry within ATPase activator ring drives s54-RNAP interaction and ATP hydrolysis
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transcriptional regulator (NtrC family), ...
著者Sysoeva, T.A, Chowdhury, S, Guo, L, Nixon, B.T.
登録日2013-07-30
公開日2013-12-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Nucleotide-induced asymmetry within ATPase activator ring drives sigma 54-RNAP interaction and ATP hydrolysis.
Genes Dev., 27, 2013
6SKK
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BU of 6skk by Molmil
Structure of the native full-length HIV-1 capsid protein in helical assembly (-13,8)
分子名称: capsid protein
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2019-08-15
公開日2020-08-26
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6SMO
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BU of 6smo by Molmil
AntDE:AntF (apo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide
分子名称: 3,5,7,9,11-pentakis(oxidanylidene)dodecanal, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ...
著者Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
登録日2019-08-22
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
6BSR
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BU of 6bsr by Molmil
Crystal structure of penicillin-binding protein 4 (PBP4) from Enterococcus faecalis in the benzylpenicillin bound form.
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Moon, T.M, D'Andrea, E.D, Peti, W, Page, R.
登録日2017-12-04
公開日2018-10-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
4MBE
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BU of 4mbe by Molmil
Sac3:Sus1:Cdc31:Nup1 complex
分子名称: CALCIUM ION, Cell division control protein 31, Nuclear mRNA export protein SAC3, ...
著者Jani, D, Meineke, B, Stewart, M.
登録日2013-08-19
公開日2014-07-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.612 Å)
主引用文献Structural basis for binding the TREX2 complex to nuclear pores, GAL1 localisation and mRNA export.
Nucleic Acids Res., 42, 2014
6RFF
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BU of 6rff by Molmil
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 7
分子名称: (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
著者Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G.
登録日2019-04-14
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
3GRI
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BU of 3gri by Molmil
The Crystal Structure of a Dihydroorotase from Staphylococcus aureus
分子名称: CALCIUM ION, CHLORIDE ION, Dihydroorotase, ...
著者Brunzelle, J.S, Wawrzak, Z, Skarina, T, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-03-25
公開日2009-05-19
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of a Dihydroorotase from Staphylococcus aureus
To be Published
6RN9
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BU of 6rn9 by Molmil
DPP1 in complex with inhibitor
分子名称: (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kack, H.
登録日2019-05-08
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines.
Acs Med.Chem.Lett., 10, 2019
6RNI
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BU of 6rni by Molmil
DPP1 in complex with inhibitor
分子名称: (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kack, H.
登録日2019-05-08
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines.
Acs Med.Chem.Lett., 10, 2019
6CAY
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BU of 6cay by Molmil
Crystal structure of the first StART-like domain of Ysp2p/Lam2p in its apo and ergosterol-bound state.
分子名称: ERGOSTEROL, Sterol-binding protein
著者Horenkamp, F.A, Valverde, D.P, Reinisch, K.M.
登録日2018-02-01
公開日2018-02-28
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for sterol transport by StART-like lipid transfer domains.
EMBO J., 37, 2018
4NMP
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BU of 4nmp by Molmil
CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-3) (ANSRWP[Ac-K]SII)
分子名称: GLYCEROL, Golgi-associated PDZ and coiled-coil motif-containing protein, iCAL36(Ac-K-3) peptide
著者Amacher, J.F, Madden, D.R.
登録日2013-11-15
公開日2014-10-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Chemically Modified Peptide Scaffolds Target the CFTR-Associated Ligand PDZ Domain.
Plos One, 9, 2014
6CCM
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BU of 6ccm by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-((3-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
分子名称: 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CCS
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BU of 6ccs by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(trifluoromethyl)-1H-benzo[d]imidazol-4-ol
分子名称: 2-(trifluoromethyl)-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
4C6M
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BU of 4c6m by Molmil
Crystal structure of the dihydroorotase domain of human CAD bound to the inhibitor fluoroorotate at pH 7.0
分子名称: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD PROTEIN, FORMIC ACID, ...
著者Ramon-Maiques, S, Lallous, N, Grande-Garcia, A.
登録日2013-09-18
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure, Functional Characterization and Evolution of the Dihydroorotase Domain of Human Cad.
Structure, 22, 2014
6CI6
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BU of 6ci6 by Molmil
Crystal structure of equine serum albumin in complex with nabumetone
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Serum albumin, ...
著者Venkataramany, B.S, Czub, M.P, Shabalin, I.G, Handing, K.B, Steen, E.H, Cooper, D.R, Joachimiak, A, Satchell, K.J.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-02-23
公開日2018-03-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 2020
6S08
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BU of 6s08 by Molmil
Crystal Structure of Properdin (TSR domains N1 & 456)
分子名称: Properdin, SODIUM ION, TRIETHYLENE GLYCOL, ...
著者van den Bos, R.M, Pearce, N.M, Gros, P.
登録日2019-06-14
公開日2019-09-04
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Insights Into Enhanced Complement Activation by Structures of Properdin and Its Complex With the C-Terminal Domain of C3b.
Front Immunol, 10, 2019
4P80
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BU of 4p80 by Molmil
Structure of ancestral PyrR protein (AncGREENPyrR)
分子名称: Ancestral PyrR protein (Green), SULFATE ION
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-29
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4C6K
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BU of 4c6k by Molmil
Crystal structure of the dihydroorotase domain of human CAD bound to substrate at pH 8.0
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD PROTEIN, FORMIC ACID, ...
著者Ramon-Maiques, S, Lallous, N, Grande-Garcia, A.
登録日2013-09-18
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.478 Å)
主引用文献Structure, Functional Characterization and Evolution of the Dihydroorotase Domain of Human Cad.
Structure, 22, 2014
7LOK
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BU of 7lok by Molmil
Structure of CD4 mimetic M48U1 in complex with BG505 SOSIP.664 HIV-1 Env trimer and 17b Fab
分子名称: 17b Fab Heavy Chain, 17b Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Jette, C.A, Bjorkman, P.J.
登録日2021-02-10
公開日2021-04-14
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structures of HIV-1 trimer bound to CD4-mimetics BNM-III-170 and M48U1 adopt a CD4-bound open conformation.
Nat Commun, 12, 2021
6S35
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BU of 6s35 by Molmil
LSD1/CoREST1 complex with macrocyclic peptide inhibitor
分子名称: ALA-ARG-(D)LYS-MET-GLN-GLU-ALA-ARG-LYS-SER-THR, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
著者Talibov, V.O, Dobritzsch, D.
登録日2019-06-24
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1.
Acs Omega, 5, 2020
6RN6
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BU of 6rn6 by Molmil
DPP1 in complex with inhibitor
分子名称: (2~{S},4~{R})-~{N}-[(2~{S})-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Kack, H.
登録日2019-05-08
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines.
Acs Med.Chem.Lett., 10, 2019
7LO6
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BU of 7lo6 by Molmil
Structure of CD4 mimetic BNM-III-170 in complex with BG505 SOSIP.664 HIV-1 Env trimer and 17b Fab
分子名称: 17b Fab Heavy Chain, 17b Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Jette, C.A, Bjorkman, P.J.
登録日2021-02-09
公開日2021-04-14
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structures of HIV-1 trimer bound to CD4-mimetics BNM-III-170 and M48U1 adopt a CD4-bound open conformation.
Nat Commun, 12, 2021

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