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7T74
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BU of 7t74 by Molmil
HIV-1 Envelope ApexGT2 in complex with PCT64.35S Fab and RM20A3 Fab
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, HIV Envelope ApexGT2 gp120, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2021-12-14
公開日2022-09-28
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
7T76
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BU of 7t76 by Molmil
HIV-1 Envelope ApexGT3 in complex with PG9.iGL Fab
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, HIV Envelope ApexGT3 gp120, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2021-12-14
公開日2022-09-28
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (4.43 Å)
主引用文献Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
7T77
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BU of 7t77 by Molmil
HIV-1 Envelope ApexGT3.N130 in complex with PG9 Fab
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, HIV Envelope ApexGT3.N130 gp120, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2021-12-14
公開日2022-09-28
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (4.75 Å)
主引用文献Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
7T73
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BU of 7t73 by Molmil
HIV-1 Envelope ApexGT2.2MUT in complex with PCT64.LMCA Fab
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, HIV Envelope ApexGT2.2MUT gp120, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2021-12-14
公開日2022-09-28
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
7T2P
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BU of 7t2p by Molmil
The Envelope Glycoprotein SIVmac239.K180S SOSIP trimer in complex with 3 copies of the neutralizing antibody K11
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2021-12-06
公開日2022-10-19
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Molecular insights into antibody-mediated protection against the prototypic simian immunodeficiency virus.
Nat Commun, 13, 2022
7T4G
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BU of 7t4g by Molmil
The Envelope Glycoprotein SIVmac239.K180S SOSIP trimer in complex with 3 copies of the neutralizing antibody K11
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2021-12-09
公開日2022-10-19
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Molecular insights into antibody-mediated protection against the prototypic simian immunodeficiency virus.
Nat Commun, 13, 2022
4H3E
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BU of 4h3e by Molmil
Crystal structure of a putative iron superoxide dismutase from Trypanosoma cruzi bound to iron
分子名称: FE (II) ION, Superoxide dismutase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-09-13
公開日2012-09-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Iron superoxide dismutases in eukaryotic pathogens: new insights from Apicomplexa and Trypanosoma structures.
Acta Crystallogr F Struct Biol Commun, 71, 2015
5CTJ
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BU of 5ctj by Molmil
Structure of a single tryptophan mutant of Acetobacter aceti PurE containing 5-fluorotryptophan
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, ...
著者Sullivan, K.L, Kappock, T.J.
登録日2015-07-24
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.928 Å)
主引用文献Structure of a single tryptophan mutant of Acetobacter aceti PurE
To Be Published
4CEU
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BU of 4ceu by Molmil
1.58 A resolution native Sporosarcina pasteurii urease
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
著者Benini, S, Cianci, M, Ciurli, S.
登録日2013-11-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Fluoride Inhibition of Sporosarcina Pasteurii Urease: Structure and Thermodynamics.
J.Biol.Inorg.Chem., 19, 2014
4CEX
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BU of 4cex by Molmil
1.59 A resolution Fluoride inhibited Sporosarcina pasteurii urease
分子名称: 1,2-ETHANEDIOL, FLUORIDE ION, NICKEL (II) ION, ...
著者Benini, S, Cianci, M, Ciurli, S.
登録日2013-11-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.589 Å)
主引用文献Fluoride Inhibition of Sporosarcina Pasteurii Urease: Structure and Thermodynamics.
J.Biol.Inorg.Chem., 19, 2014
8FAH
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BU of 8fah by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with SARS-CoV-2 reactive human antibody CR3022
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab heavy chain, CR3022 Fab light chain, ...
著者Sankhala, R.S, Jensen, J.L, Joyce, M.G.
登録日2022-11-26
公開日2023-12-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (4.22 Å)
主引用文献Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
5CZK
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BU of 5czk by Molmil
Structure of E. coli beta-glucuronidase bound with a novel, potent inhibitor 1-((6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea
分子名称: 1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea, Beta-glucuronidase
著者Roberts, A.R, Wallace, B.R, Redinbo, M.R.
登録日2015-07-31
公開日2015-10-14
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
5LS6
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BU of 5ls6 by Molmil
Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor
分子名称: 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ...
著者Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S.
登録日2016-08-22
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
J. Med. Chem., 59, 2016
7ANT
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BU of 7ant by Molmil
Structure of CYP153A from Polaromonas sp.
分子名称: 1,2-ETHANEDIOL, Cytochrome P450, HEME C
著者Zukic, E, Rowlinson, B, Sharma, M, Hoffman, S, Hauer, B, Grogan, G.
登録日2020-10-12
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
7AO7
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BU of 7ao7 by Molmil
Structure of CYP153A from Polaromonas sp. in complex with octan-1-ol
分子名称: Cytochrome P450, OCTAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE
著者Zukic, E, Rowlinson, B, Sharma, M, Hoffmann, S, Hauer, B, Grogan, G.
登録日2020-10-13
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
2X1J
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BU of 2x1j by Molmil
H71A mutant of the antibiotic resistance protein NimA from Deinococcus radiodurans
分子名称: ACETATE ION, NIMA-RELATED PROTEIN
著者Leiros, H.S, Brandsdal, B.O, McSweeney, S.M.
登録日2010-01-07
公開日2010-11-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biophysical Characterization and Mutational Analysis of the Antibiotic Resistance Protein Nima from Deinococcus Radiodurans.
Biochim.Biophys.Acta, 1804, 2010
7UOW
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BU of 7uow by Molmil
SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 034_32
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, Monoclonal antibody 034_32 heavy chain, ...
著者Patel, A, Ortlund, E.
登録日2022-04-14
公開日2023-04-19
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Molecular basis of SARS-CoV-2 Omicron variant evasion from shared neutralizing antibody response.
Structure, 31, 2023
6KNA
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BU of 6kna by Molmil
Viral Ubiquitin from Autographa californica Nucleo Polyhedrosis Virus
分子名称: Viral ubiquitin
著者Negi, H, Reddy, P.P, Das, R.
登録日2019-08-05
公開日2020-06-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A novel polyubiquitin chain linkage formed by viral Ubiquitin is resistant to host deubiquitinating enzymes.
Biochem.J., 477, 2020
1ACA
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BU of 1aca by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN ACYL-COENZYME A BINDING PROTEIN AND PALMITOYL-COENZYME A
分子名称: ACYL-COENZYME A BINDING PROTEIN, COENZYME A, PALMITIC ACID
著者Kragelund, B.B, Andersen, K.V, Madsen, J.C, Knudsen, J, Poulsen, F.M.
登録日1992-11-17
公開日1994-01-31
最終更新日2024-04-10
実験手法SOLUTION NMR
主引用文献Three-dimensional structure of the complex between acyl-coenzyme A binding protein and palmitoyl-coenzyme A.
J.Mol.Biol., 230, 1993
2VPA
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BU of 2vpa by Molmil
High resolution crystal structure of the antibiotic resistance protein NimA from Deinococcus radiodurans
分子名称: ACETATE ION, NIMA-RELATED PROTEIN, PYRUVIC ACID
著者Leiros, H.-K.S, Tedesco, C, McSweeney, S.M.
登録日2008-02-27
公開日2008-08-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献High-Resolution Structure of the Antibiotic Resistance Protein Nima from Deinococcus Radiodurans.
Acta Crystallogr.,Sect.F, 64, 2008
5HZB
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BU of 5hzb by Molmil
Crystal structure of GII.10 P domain in complex with 2-fucosyllactose (2'FL)
分子名称: 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Hansman, G.S, Koromyslova, A.D, Singh, B.K.S.
登録日2016-02-02
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献Structural Basis for Norovirus Inhibition by Human Milk Oligosaccharides.
J.Virol., 90, 2016
1M9I
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BU of 1m9i by Molmil
Crystal Structure Of Phosphorylation-Mimicking Mutant T356D Of Annexin VI
分子名称: Annexin VI, CALCIUM ION
著者Freye-Minks, C, Kretsinger, R.H, Creutz, C.E.
登録日2002-07-29
公開日2002-08-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural and Dynamic Changes in Human Annexin VI Induced by a Phosphorylation-Mimicking Mutation, T356D
Biochemistry, 42, 2003
6B8J
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BU of 6b8j by Molmil
Co-structure of human glycogen synthase kinase beta with a selective (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine inhibitor
分子名称: CHIR99021, GLYCEROL, Glycogen synthase kinase-3 beta, ...
著者Bussiere, D.E.
登録日2017-10-08
公開日2017-11-08
実験手法X-RAY DIFFRACTION (2.595 Å)
主引用文献Synthesis, Binding Mode, and Antihyperglycemic Activity of Potent and Selective (5-Imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine Inhibitors of Glycogen Synthase Kinase 3.
J. Med. Chem., 60, 2017
6MHB
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BU of 6mhb by Molmil
Glutathione S-Transferase Omega 1 bound to covalent inhibitor 18
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase omega-1, N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
著者Petrunak, E.M, Stuckey, J.A.
登録日2018-09-17
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-Based Design of N-(5-Phenylthiazol-2-yl)acrylamides as Novel and Potent Glutathione S-Transferase Omega 1 Inhibitors.
J. Med. Chem., 62, 2019
7T2Q
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BU of 7t2q by Molmil
PEGylated Calmodulin-1 (K148U)
分子名称: CALCIUM ION, Calmodulin-1, MAGNESIUM ION, ...
著者Mackay, J.P, Payne, R.J, Patel, K, Dowman, L.J.
登録日2021-12-06
公開日2022-10-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Site-selective photocatalytic functionalization of peptides and proteins at selenocysteine.
Nat Commun, 13, 2022

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