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4NW7
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BU of 4nw7 by Molmil
PDE4 catalytic domain
Descriptor: (4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Fox III, D, Edwards, T.E.
Deposit date:2013-12-05
Release date:2014-10-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of triazines as selective PDE4B versus PDE4D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4P71
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BU of 4p71 by Molmil
Apo PheRS from P. aeuriginosa
Descriptor: Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P9H
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BU of 4p9h by Molmil
Crystal structure of 8ANC195 Fab in complex with gp120 of 93TH057 HIV-1 and soluble CD4 D1D2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Scharf, L, Bjorkman, P.J.
Deposit date:2014-04-04
Release date:2014-05-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Antibody 8ANC195 Reveals a Site of Broad Vulnerability on the HIV-1 Envelope Spike.
Cell Rep, 7, 2014
4P74
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BU of 4p74 by Molmil
PheRS in complex with compound 3a
Descriptor: N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4NL5
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BU of 4nl5 by Molmil
Mycobacterium tuberculosis heme-degrading protein MhuD in complex with heme and cyanide
Descriptor: ACETATE ION, CYANIDE ION, Heme-degrading monooxygenase HmoB, ...
Authors:Morse, R.P, Chao, A, Goulding, C.W.
Deposit date:2013-11-13
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic and Spectroscopic Insights into Heme Degradation by Mycobacterium tuberculosis MhuD.
Inorg.Chem., 53, 2014
4NZR
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BU of 4nzr by Molmil
Crystal structure of the antibody-binding region of Protein M (Protein M TD) in complex with anti-HIV antibody PGT135 Fab
Descriptor: GLYCEROL, PGT135 heavy chain, PGT135 light chain, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-12-12
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A structurally distinct human mycoplasma protein that generically blocks antigen-antibody union.
Science, 343, 2014
7USZ
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BU of 7usz by Molmil
Human DDAH-1, holo (Zn-bound) form
Descriptor: CHLORIDE ION, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, ZINC ION
Authors:Smith, C.A, Ghebre, Y.T.
Deposit date:2022-04-26
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Esomeprazole covalently interacts with the cardiovascular enzyme dimethylarginine dimethylaminohydrolase: Insights into the cardiovascular risk of proton pump inhibitors.
Biochim Biophys Acta Gen Subj, 1866, 2022
7UT0
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BU of 7ut0 by Molmil
Human DDAH-1, apo form
Descriptor: 1,2-ETHANEDIOL, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1
Authors:Smith, C.A, Ghebre, Y.T.
Deposit date:2022-04-26
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Esomeprazole covalently interacts with the cardiovascular enzyme dimethylarginine dimethylaminohydrolase: Insights into the cardiovascular risk of proton pump inhibitors.
Biochim Biophys Acta Gen Subj, 1866, 2022
7TI6
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BU of 7ti6 by Molmil
Crystal structure of the wild-type least mutated common ancestor (LMCA) of the HIV-targeting PCT64 antibody lineage
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PCT64_LMCA Fab heavy chain, PCT64_LMCA light chain (wild type)
Authors:Omorodion, O, Wilson, I.A.
Deposit date:2022-01-12
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
7UVW
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BU of 7uvw by Molmil
A. baumannii ribosome: 70S with E-site tRNA
Descriptor: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Morgan, C.E, Yu, E.W.
Deposit date:2022-05-02
Release date:2023-04-19
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.37 Å)
Cite:Streptothricin F is a bactericidal antibiotic effective against highly drug-resistant gram-negative bacteria that interacts with the 30S subunit of the 70S ribosome.
Plos Biol., 21, 2023
7UYI
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BU of 7uyi by Molmil
Crystal structure of the computationally optimized broadly reactive H1 influenza hemagglutinin P1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COBRA P1 HA, ...
Authors:Dzimianski, J.V, DuBois, R.M.
Deposit date:2022-05-06
Release date:2023-04-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into the broad protection against H1 influenza viruses by a computationally optimized hemagglutinin vaccine.
Commun Biol, 6, 2023
7UVX
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BU of 7uvx by Molmil
A. baumannii 70S ribosome-Streptothricin-F complex
Descriptor: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Morgan, C.E, Yu, E.W.
Deposit date:2022-05-02
Release date:2023-04-19
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Streptothricin F is a bactericidal antibiotic effective against highly drug-resistant gram-negative bacteria that interacts with the 30S subunit of the 70S ribosome.
Plos Biol., 21, 2023
7UVY
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BU of 7uvy by Molmil
A. baumannii ribosome-Streptothricin-D complex: 70S with P-site tRNA
Descriptor: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Morgan, C.E, Yu, E.W.
Deposit date:2022-05-02
Release date:2023-04-19
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Streptothricin F is a bactericidal antibiotic effective against highly drug-resistant gram-negative bacteria that interacts with the 30S subunit of the 70S ribosome.
Plos Biol., 21, 2023
7UVV
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BU of 7uvv by Molmil
A. baumannii ribosome-Streptothricin-F complex: 70S with P-site tRNA
Descriptor: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Morgan, C.E, Yu, E.W.
Deposit date:2022-05-02
Release date:2023-04-19
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Streptothricin F is a bactericidal antibiotic effective against highly drug-resistant gram-negative bacteria that interacts with the 30S subunit of the 70S ribosome.
Plos Biol., 21, 2023
7UVZ
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BU of 7uvz by Molmil
A. baumannii ribosome-Streptothricin-D complex: 70S with E-site tRNA
Descriptor: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Morgan, C.E, Yu, E.W.
Deposit date:2022-05-02
Release date:2023-04-19
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.21 Å)
Cite:Streptothricin F is a bactericidal antibiotic effective against highly drug-resistant gram-negative bacteria that interacts with the 30S subunit of the 70S ribosome.
Plos Biol., 21, 2023
4P75
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BU of 4p75 by Molmil
PheRS in complex with compound 4a
Descriptor: 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P9M
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BU of 4p9m by Molmil
Crystal structure of 8ANC195 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 Fab heavy chain, 8ANC195 light chain
Authors:Scharf, L, Bjorkman, P.J.
Deposit date:2014-04-04
Release date:2014-05-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Antibody 8ANC195 Reveals a Site of Broad Vulnerability on the HIV-1 Envelope Spike.
Cell Rep, 7, 2014
4P72
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BU of 4p72 by Molmil
PheRS in complex with compound 2a
Descriptor: 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
7UL5
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BU of 7ul5 by Molmil
CryoEM Structure of Inactive SSTR2 bound to Nb6
Descriptor: Nanobody 6, Somatostatin receptor type 2
Authors:Robertson, M.J, Skiniotis, G.
Deposit date:2022-04-03
Release date:2022-06-29
Last modified:2022-12-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure determination of inactive-state GPCRs with a universal nanobody.
Nat.Struct.Mol.Biol., 29, 2022
7UL3
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BU of 7ul3 by Molmil
CryoEM Structure of Inactive H2R Bound to Famotidine, Nb6M, and NabFab
Descriptor: Histamine H2 receptor, NabFab HC, NabFab LC, ...
Authors:Robertson, M.J, Skiniotis, G.
Deposit date:2022-04-03
Release date:2022-06-29
Last modified:2022-12-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure determination of inactive-state GPCRs with a universal nanobody.
Nat.Struct.Mol.Biol., 29, 2022
7UL2
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BU of 7ul2 by Molmil
CryoEM Structure of Inactive NTSR1 Bound to SR48692 and Nb6
Descriptor: 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Nanobody 6, Neurotensin receptor 1, ...
Authors:Robertson, M.J, Skiniotis, G.
Deposit date:2022-04-03
Release date:2022-06-29
Last modified:2022-12-28
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structure determination of inactive-state GPCRs with a universal nanobody.
Nat.Struct.Mol.Biol., 29, 2022
7UL4
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BU of 7ul4 by Molmil
CryoEM Structure of Inactive MOR Bound to Alvimopan and Mb6
Descriptor: Megabody 6, Mu-type opioid receptor, N-[(2S)-2-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl}-3-phenylpropanoyl]glycine
Authors:Robertson, M.J, Skiniotis, G.
Deposit date:2022-04-03
Release date:2022-06-29
Last modified:2022-12-28
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure determination of inactive-state GPCRs with a universal nanobody.
Nat.Struct.Mol.Biol., 29, 2022
4PX6
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BU of 4px6 by Molmil
SYK catalytic domain in complex with a potent pyridopyrimidinone inhibitor
Descriptor: 7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one, Tyrosine-protein kinase SYK
Authors:Lee, C.C.
Deposit date:2014-03-21
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Syk inhibitors with high potency in presence of blood.
Bioorg.Med.Chem.Lett., 24, 2014
4PRG
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BU of 4prg by Molmil
0072 PARTIAL AGONIST PPAR GAMMA COCRYSTAL
Descriptor: (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA)
Authors:Milburn, M.V.
Deposit date:1999-05-07
Release date:1999-05-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A peroxisome proliferator-activated receptor gamma ligand inhibits adipocyte differentiation.
Proc.Natl.Acad.Sci.USA, 96, 1999
7UW1
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BU of 7uw1 by Molmil
A. baumannii 70S ribosome-Streptothricin-D complex
Descriptor: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Morgan, C.E, Yu, E.W.
Deposit date:2022-05-02
Release date:2023-04-19
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.21 Å)
Cite:Streptothricin F is a bactericidal antibiotic effective against highly drug-resistant gram-negative bacteria that interacts with the 30S subunit of the 70S ribosome.
Plos Biol., 21, 2023

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数据于2024-06-26公开中

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