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4ZMJ
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BU of 4zmj by Molmil
Crystal Structure of Ligand-Free BG505 SOSIP.664 HIV-1 Env Trimer
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, Envelope glycoprotein gp160, ...
著者Kwon, Y.D, Kwong, P.D.
登録日2015-05-04
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Crystal structure, conformational fixation and entry-related interactions of mature ligand-free HIV-1 Env.
Nat.Struct.Mol.Biol., 22, 2015
8SZ3
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BU of 8sz3 by Molmil
Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 7j
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(1S)-1-(5-bromopyridin-2-yl)ethyl]-3-[(2R)-3,3-dimethylbutan-2-yl]-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, ...
著者Sudom, A, Min, X.
登録日2023-05-26
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors.
J.Med.Chem., 66, 2023
8TIC
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BU of 8tic by Molmil
Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid, CHLORIDE ION, ...
著者Sudom, A, Min, X.
登録日2023-07-19
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors.
J.Med.Chem., 66, 2023
8TJC
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BU of 8tjc by Molmil
Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 8a
分子名称: (6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one, 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Sudom, A, Min, X.
登録日2023-07-20
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors.
J.Med.Chem., 66, 2023
4PRG
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BU of 4prg by Molmil
0072 PARTIAL AGONIST PPAR GAMMA COCRYSTAL
分子名称: (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA)
著者Milburn, M.V.
登録日1999-05-07
公開日1999-05-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A peroxisome proliferator-activated receptor gamma ligand inhibits adipocyte differentiation.
Proc.Natl.Acad.Sci.USA, 96, 1999
4P74
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BU of 4p74 by Molmil
PheRS in complex with compound 3a
分子名称: 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
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P71
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BU of 4p71 by Molmil
Apo PheRS from P. aeuriginosa
分子名称: Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献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
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, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Scharf, L, Bjorkman, P.J.
登録日2014-04-04
公開日2014-05-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Antibody 8ANC195 Reveals a Site of Broad Vulnerability on the HIV-1 Envelope Spike.
Cell Rep, 7, 2014
3LCC
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BU of 3lcc by Molmil
Structure of a SAM-dependent halide methyltransferase from Arabidopsis thaliana
分子名称: CHLORIDE ION, Putative methyl chloride transferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Schmidberger, J.W, O'Hagan, D, Naismith, J.H.
登録日2010-01-10
公開日2010-05-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Halomethane Biosynthesis: Structure of a SAM-Dependent Halide Methyltransferase from Arabidopsis thaliana
Angew.Chem.Int.Ed.Engl., 49, 2010
3LRN
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BU of 3lrn by Molmil
Crystal structure of human RIG-I CTD bound to a 14 bp GC 5' ppp dsRNA
分子名称: Probable ATP-dependent RNA helicase DDX58, RNA (5'-R(*(GTP)P*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3'), ZINC ION
著者Li, P.
登録日2010-02-11
公開日2010-06-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Structural Basis of 5' Triphosphate Double-Stranded RNA Recognition by RIG-I C-Terminal Domain.
Structure, 18, 2010
7BBJ
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BU of 7bbj by Molmil
CD73 in complex with the humanized antagonistic antibody mAb19
分子名称: 5'-nucleotidase, MAGNESIUM ION, ZINC ION, ...
著者Boettcher, J, Han, F.
登録日2020-12-17
公開日2021-12-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献A Novel Antagonistic CD73 Antibody for Inhibition of the Immunosuppressive Adenosine Pathway.
Mol.Cancer Ther., 20, 2021
7ASL
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BU of 7asl by Molmil
HIV-1 Gag immature lattice. GagSP1T8I
分子名称: Gag protein
著者Mendonca, L, Zhang, P.
登録日2020-10-27
公開日2021-06-23
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献CryoET structures of immature HIV Gag reveal six-helix bundle.
Commun Biol, 4, 2021
7ASH
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BU of 7ash by Molmil
HIV-1 Gag immature lattice. GagdeltaMASP1T8I
分子名称: Gag protein
著者Mendonca, L, Zhang, P.
登録日2020-10-27
公開日2021-06-23
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献CryoET structures of immature HIV Gag reveal six-helix bundle.
Commun Biol, 4, 2021
7B0M
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BU of 7b0m by Molmil
Sugar transaminase from a metagenome collected from troll oil field production water
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Sugar aminotransferase, ...
著者Littlechild, J.A, De Rose, S.A, Isupov, M.N, Sayer, C, Karki, S.
登録日2020-11-20
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Sugar transaminases from hot environments
To Be Published
7B0D
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BU of 7b0d by Molmil
Sugar transaminase from Archaeoglobus veneficus
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者James, P, Littlechild, J.A, De Rose, S.A, Isupov, M.N.
登録日2020-11-19
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Sugar transaminases from hot environments
To Be Published
7CWB
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BU of 7cwb by Molmil
Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main Protease at 1.9 A Resolution (C121)
分子名称: 3C-like proteinase
著者DeMirci, H.
登録日2020-08-27
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing.
Structure, 29, 2021
7CWC
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BU of 7cwc by Molmil
Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main Protease at 2.1 A Resolution (P212121)
分子名称: 3C-like proteinase
著者DeMirci, H.
登録日2020-08-27
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing.
Structure, 29, 2021
6DUY
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BU of 6duy by Molmil
Crystal structure of the alpha-N-catenin actin-binding domain H1 mutant
分子名称: Catenin alpha-2
著者Ishiyama, N, Ikura, M.
登録日2018-06-22
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Force-dependent allostery of the alpha-catenin actin-binding domain controls adherens junction dynamics and functions.
Nat Commun, 9, 2018
6E2M
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BU of 6e2m by Molmil
ASK1 kinase domain complex with inhibitor
分子名称: Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
著者Lansdon, E.B.
登録日2018-07-11
公開日2018-09-19
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (2.253 Å)
主引用文献ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
6E2N
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BU of 6e2n by Molmil
ASK1 kinase domain complex with inhibitor
分子名称: Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
著者Lansdon, E.B.
登録日2018-07-11
公開日2018-09-19
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
6E2O
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BU of 6e2o by Molmil
ASK1 kinase domain complex with inhibitor
分子名称: 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5
著者Lansdon, E.B.
登録日2018-07-11
公開日2018-09-19
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (2.389 Å)
主引用文献ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
2MGT
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BU of 2mgt by Molmil
Zinc induced dimer of the metal binding domain 1-16 of human amyloid beta-peptide with Alzheimer's disease pathogenic English mutation H6R
分子名称: Amyloid beta A4 protein, ZINC ION
著者Polshakov, V, Istrate, A, Kozin, S.
登録日2013-11-06
公開日2014-11-12
最終更新日2020-01-01
実験手法SOLUTION NMR
主引用文献Interplay of histidine residues of the Alzheimer's disease A beta peptide governs its Zn-induced oligomerization.
Sci Rep, 6, 2016
2ULL
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BU of 2ull by Molmil
MULTIPLE CONFORMATION STRUCTURE OF ALPHA-LYTIC PROTEASE AT 120 K
分子名称: ALPHA-LYTIC PROTEASE, SULFATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Rader, S.D, Agard, D.A.
登録日1996-11-26
公開日1997-07-07
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational substates in enzyme mechanism: the 120 K structure of alpha-lytic protease at 1.5 A resolution.
Protein Sci., 6, 1997
6FD8
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BU of 6fd8 by Molmil
Gamma-s crystallin dimer
分子名称: Beta-crystallin S
著者Mabbitt, P.D, Thorn, D.C, Jackson, C.J, Carver, J.A.
登録日2017-12-22
公開日2018-12-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Structure and Stability of the Disulfide-Linked gamma S-Crystallin Dimer Provide Insight into Oxidation Products Associated with Lens Cataract Formation.
J. Mol. Biol., 431, 2019
6FYT
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BU of 6fyt by Molmil
Structure of H1 (A/solomon Islands/3/06) Influenza Hemagglutinin in complex with SD38
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, ...
著者Laursen, N.S, Wilson, I.A.
登録日2018-03-12
公開日2018-11-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018

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