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4ZUW
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BU of 4zuw by Molmil
Crystal structure of Equine MHC I(Eqca-N*00601) in complexed with equine infectious anaemia virus (EIAV) derived peptide Gag-GW12
分子名称: Beta-2-microglobulin, Classical MHC class I antigen, GLY-SER-GLN-LYS-LEU-THR-THR-GLY-ASN-CYS-ASN-TRP
著者Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C.
登録日2015-05-17
公開日2016-04-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles
J Immunol., 196, 2016
3FUR
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BU of 3fur by Molmil
Crystal Structure of PPARg in complex with INT131
分子名称: 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ...
著者Wang, Z, Liu, J, Walker, N.
登録日2009-01-14
公開日2009-06-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献INT131: a selective modulator of PPAR gamma.
J.Mol.Biol., 386, 2009
6WN3
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BU of 6wn3 by Molmil
Structure of the Rieske non-heme iron oxygenase SxtT
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ...
著者Bridwell-Rabb, J, Liu, J.
登録日2020-04-22
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural basis for divergent C-H hydroxylation selectivity in two Rieske oxygenases.
Nat Commun, 11, 2020
6WNB
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BU of 6wnb by Molmil
Structure of the Rieske non-heme iron oxygenase SxtT with dideoxysaxitoxin bound
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ...
著者Bridwell-Rabb, J, Liu, J.
登録日2020-04-22
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for divergent C-H hydroxylation selectivity in two Rieske oxygenases.
Nat Commun, 11, 2020
6WNC
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BU of 6wnc by Molmil
Structure of the Rieske non-heme iron oxygenase GxtA
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ...
著者Bridwell-Rabb, J, Liu, J.
登録日2020-04-22
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for divergent C-H hydroxylation selectivity in two Rieske oxygenases.
Nat Commun, 11, 2020
6WND
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BU of 6wnd by Molmil
Structure of the Rieske non-heme iron oxygenase GxtA with dideoxysaxitoxin bound
分子名称: CHLORIDE ION, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Bridwell-Rabb, J, Liu, J.
登録日2020-04-22
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural basis for divergent C-H hydroxylation selectivity in two Rieske oxygenases.
Nat Commun, 11, 2020
3B57
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BU of 3b57 by Molmil
Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua. Northeast Structural Consortium target LkR65
分子名称: Lin1889 protein, MAGNESIUM ION
著者Kuzin, A.P, Abashidze, M, Seetharaman, J, Benach, J, Forouhar, F, Vorobiev, S.M, Wang, H, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-10-25
公開日2007-11-06
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua.
To be Published
4G42
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BU of 4g42 by Molmil
Structure of the Chicken MHC Class I Molecule BF2*0401 complexed to pepitde P8D
分子名称: 8-MERIC PEPTIDE P8D, Beta-2 microglobulin, MHC class I alpha chain 2
著者Zhang, J, Chen, Y, Qi, J, Gao, F, Liu, J, Kaufman, J, Xia, C, Gao, G.F.
登録日2012-07-16
公開日2012-11-21
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens.
J.Immunol., 189, 2012
8HB9
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BU of 8hb9 by Molmil
Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Guo, G, Wang, B, Liu, J, Liu, Q.
登録日2022-10-27
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor.
Eur.J.Med.Chem., 256, 2023
6VRV
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BU of 6vrv by Molmil
Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model
分子名称: 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Barberis, C.E, Batchelor, J.D, Liu, J.
登録日2020-02-10
公開日2020-11-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model.
Bioorg.Med.Chem.Lett., 30, 2020
6VRU
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BU of 6vru by Molmil
PIM-inhibitor complex 1
分子名称: 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, ACETATE ION, IMIDAZOLE, ...
著者Barberis, C.E, Batchelor, J.D, Mechin, I, Liu, J.
登録日2020-02-10
公開日2020-11-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model.
Bioorg.Med.Chem.Lett., 30, 2020
6CHH
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BU of 6chh by Molmil
Structure of human NNMT in complex with bisubstrate inhibitor MS2756
分子名称: (2~{S})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid, 1,2-ETHANEDIOL, Nicotinamide N-methyltransferase
著者Babault, N, Liu, J, Jin, J.
登録日2018-02-22
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT).
J. Med. Chem., 61, 2018
5GRJ
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BU of 5grj by Molmil
Crystal structure of human PD-L1 with monoclonal antibody avelumab
分子名称: Programmed cell death 1 ligand 1, avelumab H chain, avelumab L chain
著者Liu, K, Tan, S, Chai, Y, Chen, D, Song, H, Zhang, C.W.-H, Shi, Y, Liu, J, Tan, W, Lyu, J, Gao, S, Yan, J, Qi, J, Gao, G.F.
登録日2016-08-11
公開日2016-11-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.206 Å)
主引用文献Structural basis of anti-PD-L1 monoclonal antibody avelumab for tumor therapy.
Cell Res., 27, 2017
7FBJ
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BU of 7fbj by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing nanobody 17F6
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, New antigen receptor variable domain, ...
著者Zhu, J, Xu, T, Feng, B, Liu, J.
登録日2021-07-11
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
7FBK
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BU of 7fbk by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain N501Y mutant in complex with neutralizing nanobody 20G6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, Spike protein S1
著者Zhu, J, Xu, T, Feng, B, Liu, J.
登録日2021-07-11
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
4BHM
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BU of 4bhm by Molmil
The crystal structure of MoSub1-DNA complex reveals a novel DNA binding mode
分子名称: 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP)-3', MOSUB1 TRANSCRIPTION COFACTOR, SULFATE ION
著者Huang, J, Liu, H, Zhao, Y, Huang, D, liu, J, Peng, Y.
登録日2013-04-04
公開日2014-04-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4.
Sci.Rep., 5, 2015
7SCE
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BU of 7sce by Molmil
Ternary complex of fixed-arm Trx-3ost5 (I299E) with 8mer-2 octasaccharide substrate and co-factor product PAP
分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, Thioredoxin 1,Heparan sulfate glucosamine 3-O-sulfotransferase 5
著者Wander, R, Kaminski, A.M, Krahn, J.M, Liu, J, Pedersen, L.C.
登録日2021-09-27
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural and Substrate Specificity Analysis of 3-O-Sulfotransferase Isoform 5 to Synthesize Heparan Sulfate
Acs Catalysis, 11, 2021
7SCD
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BU of 7scd by Molmil
Ternary complex of fixed-arm Trx-3ost5 (I299E) with 8mer-1 octasaccharide substrate and co-factor product PAP
分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, Thioredoxin 1,Heparan sulfate glucosamine 3-O-sulfotransferase 5
著者Wander, R, Kaminski, A.M, Krahn, J.M, Liu, J, Pedersen, L.C.
登録日2021-09-27
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and Substrate Specificity Analysis of 3-O-Sulfotransferase Isoform 5 to Synthesize Heparan Sulfate
Acs Catalysis, 11, 2021
4IT7
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BU of 4it7 by Molmil
Crystal structure of Al-CPI
分子名称: CPI
著者Mei, G.Q, Liu, S.L, Sun, M.Z, Liu, J.
登録日2013-01-17
公開日2014-01-29
最終更新日2014-06-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for the Immunomodulatory Function of Cysteine Protease Inhibitor from Human Roundworm Ascaris lumbricoides.
Plos One, 9, 2014
3QIC
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BU of 3qic by Molmil
The structure of human glucokinase E339K mutation
分子名称: GLYCEROL, Glucokinase, alpha-D-glucopyranose
著者Liu, Q, Liu, S, Liu, J.
登録日2011-01-27
公開日2011-06-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of E339K mutated human glucokinase reveals changes in the ATP binding site.
Febs Lett., 585, 2011
1EQ7
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BU of 1eq7 by Molmil
CORE STRUCTURE OF THE OUTER MEMBRANE LIPOPROTEIN FROM ESCHERICHIA COLI AT 1.9 ANGSTROM RESOLUTION
分子名称: OUTER MEMBRANE LIPOPROTEIN
著者Shu, W, Liu, J, Ji, H, Lu, M.
登録日2000-04-03
公開日2000-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Core structure of the outer membrane lipoprotein from Escherichia coli at 1.9 A resolution.
J.Mol.Biol., 299, 2000
3BEY
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BU of 3bey by Molmil
Crystal structure of the protein O27018 from Methanobacterium thermoautotrophicum. Northeast Structural Genomics Consortium target TT217
分子名称: Conserved protein O27018
著者Kuzin, A.P, Gu, J, Xu, X, Neely, H, Forouhar, F, Owens, L, Mao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2007-11-20
公開日2007-12-18
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the protein O27018 from Methanobacterium thermoautotrophicum.
To be Published
3BB6
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BU of 3bb6 by Molmil
Crystal structure of the P64488 protein from E.coli (strain K12). Northeast Structural Genomics Consortium target ER596
分子名称: Uncharacterized protein yeaR, ZINC ION
著者Kuzin, A.P, Su, M, Seetharaman, J, Wang, D, Janjua, H, Owens, L, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-11-09
公開日2007-11-20
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-Ray structure of the P64488 from E.coli (strain K12).
To be Published
3BDR
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BU of 3bdr by Molmil
Crystal structure of fatty acid-binding protein-like Ycf58 from Thermosynecoccus elongatus. Northeast Structural Genomics Consortium target TeR13.
分子名称: PHOSPHATE ION, Ycf58 protein
著者Kuzin, A.P, Su, M, Seetharaman, J, Forouhar, F, Wang, D, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-11-15
公開日2007-11-27
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of fatty acid-binding protein-like Ycf58 from Thermosynecoccus elongatus.
To be Published
4G43
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BU of 4g43 by Molmil
Structure of the chicken MHC class I molecule BF2*0401 complexed to P5E
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 8-MERIC PEPTIDE P5E, Beta-2 microglobulin, ...
著者Zhang, J, Chen, Y, Qi, J, Gao, F, Liu, J, Kaufman, J, Xia, C, Gao, G.F.
登録日2012-07-16
公開日2012-11-21
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens.
J.Immunol., 189, 2012

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