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7S8O
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BU of 7s8o by Molmil
CryoEM structure of Gi-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573
Descriptor: (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
Deposit date:2021-09-18
Release date:2021-11-17
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8L
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BU of 7s8l by Molmil
CryoEM structure of Gq-coupled MRGPRX2 with peptide agonist Cortistatin-14
Descriptor: Cortistatin 14, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
Deposit date:2021-09-18
Release date:2021-11-17
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8P
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BU of 7s8p by Molmil
CryoEM structure of Gq-coupled MRGPRX4 with small molecule agonist MS47134
Descriptor: Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
Deposit date:2021-09-18
Release date:2021-11-17
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8M
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BU of 7s8m by Molmil
CryoEM structure of Gi-coupled MRGPRX2 with peptide agonist Cortistatin-14
Descriptor: Cortistatin 14, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
Deposit date:2021-09-18
Release date:2021-11-17
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8N
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BU of 7s8n by Molmil
CryoEM structure of Gq-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573
Descriptor: (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
Deposit date:2021-09-18
Release date:2021-11-17
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
6KL7
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BU of 6kl7 by Molmil
Beta-arrestin 1 mutant S13D/T275D
Descriptor: 1,2-ETHANEDIOL, BARIUM ION, Beta-arrestin-1
Authors:Kang, H, Choi, H.J.
Deposit date:2019-07-29
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Conformational Dynamics and Functional Implications of Phosphorylated beta-Arrestins.
Structure, 28, 2020
4XB2
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BU of 4xb2 by Molmil
Hyperthermophilic archaeal homoserine dehydrogenase mutant in complex with NADPH
Descriptor: 319aa long hypothetical homoserine dehydrogenase, L-HOMOSERINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sakuraba, H, Inoue, S, Yoneda, K, Ohshima, T.
Deposit date:2014-12-16
Release date:2015-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal Structures of a Hyperthermophilic Archaeal Homoserine Dehydrogenase Suggest a Novel Cofactor Binding Mode for Oxidoreductases.
Sci Rep, 5, 2015
4XB1
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BU of 4xb1 by Molmil
Hyperthermophilic archaeal homoserine dehydrogenase in complex with NADPH
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 319aa long hypothetical homoserine dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sakuraba, H, Inoue, S, Yoneda, K, Ohshima, T.
Deposit date:2014-12-16
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of a Hyperthermophilic Archaeal Homoserine Dehydrogenase Suggest a Novel Cofactor Binding Mode for Oxidoreductases.
Sci Rep, 5, 2015
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
Descriptor: Mitochondrial import receptor subunit TOM70, ORF9b protein
Authors:QCRG Structural Biology Consortium
Deposit date:2020-10-09
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
1A57
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BU of 1a57 by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF A HELIX-LESS VARIANT OF INTESTINAL FATTY ACID BINDING PROTEIN, NMR, 20 STRUCTURES
Descriptor: INTESTINAL FATTY ACID-BINDING PROTEIN
Authors:Steele, R.A, Emmert, D.A, Kao, J, Hodsdon, M.E, Frieden, C, Cistola, D.P.
Deposit date:1998-02-20
Release date:1998-05-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The three-dimensional structure of a helix-less variant of intestinal fatty acid-binding protein.
Protein Sci., 7, 1998
5AEL
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BU of 5ael by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597
Descriptor: FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate)
Authors:Yang, G, Oldfield, E, No, J.H.
Deposit date:2014-12-26
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
5AFX
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BU of 5afx by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1238
Descriptor: FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, [1-hydroxy-2-(1-nonyl-1H-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
Authors:Yang, G, Oldfield, E, No, J.H.
Deposit date:2015-01-27
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
5AHU
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BU of 5ahu by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1326
Descriptor: FARNESYL PYROPHOSPHATE SYNTHASE, PUTATIVE, MAGNESIUM ION, ...
Authors:Yang, G, Oldfield, E, No, J.H.
Deposit date:2015-02-09
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
8F0G
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BU of 8f0g by Molmil
Structure of SARS-CoV-2 Omicron BA.1 spike in complex with antibody Fab 1C3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 1C3 Fab Heavy Chain, ...
Authors:Yu, X, Zyla, D, Hastie, K.M, Saphire, E.O.
Deposit date:2022-11-02
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Potent Omicron-neutralizing antibodies isolated from a patient vaccinated 6 months before Omicron emergence.
Cell Rep, 42, 2023
8F0H
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BU of 8f0h by Molmil
Structure of SARS-CoV-2 spike with antibody Fabs 2A10 and 1H2 (Local refinement of the RBD and Fabs 1H2 and 2A10)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab 1H2 heavy chain, Antibody Fab 1H2 light chain, ...
Authors:Yu, X, Zyla, D, Hastie, K.M, Saphire, E.O.
Deposit date:2022-11-02
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Potent Omicron-neutralizing antibodies isolated from a patient vaccinated 6 months before Omicron emergence.
Cell Rep, 42, 2023
4CQG
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BU of 4cqg by Molmil
The crystal structure of MPK38 in complex with OTSSP167, an orally- administrative MELK selective inhibitor
Descriptor: 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone, Maternal embryonic leucine zipper kinase, SULFATE ION
Authors:Cho, Y.S, Kang, Y.J, Cho, H.S.
Deposit date:2014-02-17
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The crystal structure of MPK38 in complex with OTSSP167, an orally administrative MELK selective inhibitor.
Biochem.Biophys.Res.Commun., 447, 2014
8FVJ
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BU of 8fvj by Molmil
Dimeric form of HIV-1 Vif in complex with human CBF-beta, ELOB, ELOC, and CUL5
Descriptor: Core-binding factor subunit beta, Cullin-5, Elongin-B, ...
Authors:Ito, F, Alvarez-Cabrera, A.L, Zhou, Z.H, Chen, X.S.
Deposit date:2023-01-19
Release date:2023-09-06
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structural basis of HIV-1 Vif-mediated E3 ligase targeting of host APOBEC3H.
Nat Commun, 14, 2023
8FVI
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BU of 8fvi by Molmil
Human APOBEC3H bound to HIV-1 Vif in complex with CBF-beta, ELOB, ELOC, and CUL5
Descriptor: Core-binding factor subunit beta, Cullin 5, DNA dC->dU-editing enzyme APOBEC-3H, ...
Authors:Ito, F, Alvarez-Cabrera, A.L, Zhou, Z.H, Chen, X.S.
Deposit date:2023-01-19
Release date:2023-09-06
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structural basis of HIV-1 Vif-mediated E3 ligase targeting of host APOBEC3H.
Nat Commun, 14, 2023
7LJX
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BU of 7ljx by Molmil
Oxidized rat cytochrome c mutant (K53Q)
Descriptor: Cytochrome c, somatic, HEME C, ...
Authors:Huttemann, M, Edwards, B.F.P, Brunzelle, J.S, Vaishnav, A.
Deposit date:2021-02-01
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Lysine 53 Acetylation of Cytochrome c in Prostate Cancer: Warburg Metabolism and Evasion of Apoptosis.
Cells, 10, 2021
7MSJ
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BU of 7msj by Molmil
The crystal structure of mouse HVEM
Descriptor: SULFATE ION, Tumor necrosis factor receptor superfamily member 14
Authors:Liu, W, Ramagopal, U, Garrett-Thompson, S.C, Fedorov, E, Bonanno, J.B, Almo, S.C.
Deposit date:2021-05-11
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:HVEM structures and mutants reveal distinct functions of binding to LIGHT and BTLA/CD160.
J.Exp.Med., 218, 2021
7MSG
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BU of 7msg by Molmil
The crystal structure of LIGHT in complex with HVEM and CD160
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD160 antigen, soluble form,Tumor necrosis factor receptor superfamily member 14, ...
Authors:Liu, W, Ramagopal, U, Garrett-Thompson, S.C, Fedorov, E, Bonanno, J.B, Almo, S.C.
Deposit date:2021-05-11
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:HVEM structures and mutants reveal distinct functions of binding to LIGHT and BTLA/CD160.
J.Exp.Med., 218, 2021
3VQR
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BU of 3vqr by Molmil
Structure of a dye-linked L-proline dehydrogenase mutant from the aerobic hyperthermophilic archaeon, Aeropyrum pernix
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Sakuraba, H, Ohshima, T, Satomura, T, Yoneda, K.
Deposit date:2012-03-29
Release date:2012-04-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal Structure of Novel Dye-linked L-Proline Dehydrogenase from Hyperthermophilic Archaeon Aeropyrum pernix
J.Biol.Chem., 287, 2012
3F82
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BU of 3f82 by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Descriptor: N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, hepatocyte growth factor receptor
Authors:Sack, J.
Deposit date:2008-11-11
Release date:2009-03-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of N-(4-(2-Amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide (BMS-777607), a Selective and Orally Efficacious Inhibitor of the Met Kinase Superfamily
J.Med.Chem., 52, 2009
4WVS
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BU of 4wvs by Molmil
Crystal structure of XIAP-BIR2 domain complexed with (S)-3-(4-methoxyphenyl)-2-((S)-2-((S)-1-((S)-2-((S)-2-(methylamino)propanamido)pent-4-ynoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)propanoic acid
Descriptor: 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ...
Authors:Pokross, M.E.
Deposit date:2014-11-07
Release date:2015-05-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
4ZKJ
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BU of 4zkj by Molmil
Crystal structure of CRISPR-associated protein
Descriptor: CRISPR-associated protein Cas1, GLYCEROL
Authors:Ka, D, Bae, E.
Deposit date:2015-04-30
Release date:2016-01-13
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Streptococcus pyogenes Cas1 and Its Interaction with Csn2 in the Type II CRISPR-Cas System
Structure, 24, 2016

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數據於2024-10-16公開中

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