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6VL6
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De novo designed tetrahedral nanoparticle T33_dn2 presenting BG505 SOSIP trimers
分子名称: T33_dn2A, T33_dn2B
著者Ward, A.B, Antanasijevic, A.
登録日2020-01-22
公開日2020-08-12
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
4ZT4
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BU of 4zt4 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitorN-(3,5-dichlorobenzyl)-2,2-difluoro-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1708)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
5DLX
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BU of 5dlx by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperidine-4-carboxamide
分子名称: Bromodomain-containing protein 4, N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
著者Raux, B, Rebuffet, E, Betzi, S, Morelli, X.
登録日2015-09-07
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
3I0C
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BU of 3i0c by Molmil
Crystal structure of GTB C80S/C196S unliganded
分子名称: ABO glycosyltransferase
著者Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
登録日2009-06-25
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
3I0H
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BU of 3i0h by Molmil
Crystal structure of GTB C80S/C196S/C209S unliganded
分子名称: ABO glycosyltransferase
著者Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
登録日2009-06-25
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
5F7T
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BU of 5f7t by Molmil
TRIM5 B-box2 and coiled-coil chimera
分子名称: Tripartite motif-containing protein 5,Serine--tRNA ligase,Tripartite motif-containing protein 5, ZINC ION
著者Wagner, J.M, Doss, G, Pornillos, O.
登録日2015-12-08
公開日2016-06-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献Mechanism of B-box 2 domain-mediated higher-order assembly of the retroviral restriction factor TRIM5 alpha.
Elife, 5, 2016
5TU9
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BU of 5tu9 by Molmil
Crystal structure of Staphylococcus epidermidis Aap G58-spacer-G513 (variant G5-spacer-consensus G5)
分子名称: Accumulation associated protein Aap G58-spacer-G513 (variant G5-spacer-consensus G5)
著者Shelton, C.L, Conrady, D.G, Herr, A.B.
登録日2016-11-05
公開日2016-12-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional consequences of B-repeat sequence variation in the staphylococcal biofilm protein Aap: deciphering the assembly code.
Biochem. J., 474, 2017
5DD3
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BU of 5dd3 by Molmil
Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques
分子名称: ANTI-HIV ANTIBODY DH570.4 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570.4 FAB LIGHT CHAIN
著者Nicely, N.I, Pemble IV, C.W, Haynes, B.F.
登録日2015-08-24
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages.
Sci Transl Med, 8, 2016
3OIF
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BU of 3oif by Molmil
Crystal Structure of Enoyl-ACP Reductases I (FabI) from B. subtilis (complex with NAD and TCL)
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Kim, K.-H, Ha, B.H, Kim, S.J, Hong, S.K, Hwang, K.Y, Kim, E.E.
登録日2010-08-19
公開日2011-01-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structures of Enoyl-ACP Reductases I (FabI) and III (FabL) from B. subtilis
J.Mol.Biol., 406, 2011
5DD5
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BU of 5dd5 by Molmil
Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques
分子名称: ANTI-HIV ANTIBODY DH570.9 FAB HEAVY CHAIN
著者Nicely, N.I, Pemble IV, C.W, Haynes, B.F.
登録日2015-08-24
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages.
Sci Transl Med, 8, 2016
5V5M
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BU of 5v5m by Molmil
Crystal structure of HLA-B*5701 complex with HIV-1 gag derived peptide TW10
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ...
著者Li, X, Wang, J.-H.
登録日2017-03-14
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.878 Å)
主引用文献Crystal structure of HLA-B*5801 with a TW10 HIV Gag epitope reveals a novel mode of peptide presentation.
Cell. Mol. Immunol., 14, 2017
6TH4
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BU of 6th4 by Molmil
Tubulin-inhibitor complex
分子名称: 1,2,3,9-tetramethoxy-6-methylidene-5~{H}-cyclohepta[a]naphthalen-8-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Varela, P.F, Gigant, B.
登録日2019-11-18
公開日2021-12-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.121 Å)
主引用文献B-nor-methylene Colchicinoid PT-100 Selectively Induces Apoptosis in Multidrug-Resistant Human Cancer Cells via an Intrinsic Pathway in a Caspase-Independent Manner
Acs Omega, 7, 2022
5V5L
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BU of 5v5l by Molmil
Crystal structure of HLA-B*5801 complex with HIV-1 gag derived peptide TW10
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-58 alpha chain, ...
著者Li, X, Wang, J.-H.
登録日2017-03-14
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Crystal structure of HLA-B*5801 with a TW10 HIV Gag epitope reveals a novel mode of peptide presentation.
Cell. Mol. Immunol., 14, 2017
5TU8
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BU of 5tu8 by Molmil
Crystal structure of Staphylococcus epidermidis Aap G58-spacer-G513* (variant G5-spacer-variant G5)
分子名称: Aap G58-spacer-G513* (variant G5-spacer-variant G5)
著者Shelton, C.L, Conrady, D.G, Herr, A.B.
登録日2016-11-05
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Functional consequences of B-repeat sequence variation in the staphylococcal biofilm protein Aap: deciphering the assembly code.
Biochem. J., 474, 2017
2L4M
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BU of 2l4m by Molmil
Solution structure of the Zbeta domain of human DAI and its binding modes to B- and Z-DNA
分子名称: Uncharacterized protein
著者Kim, K, Khayrutdinov, B.I, Jeon, Y.H, Kim, K.K.
登録日2010-10-08
公開日2011-04-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of the Zbeta domain of human DNA-dependent activator of IFN-regulatory factors and its binding modes to B- and Z-DNA
Proc.Natl.Acad.Sci.USA, 2011
3I0L
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BU of 3i0l by Molmil
Crystal structure of GTB C80S/C196S/C209S + DA + UDP-Gal
分子名称: ABO glycosyltransferase, URIDINE-5'-DIPHOSPHATE, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside, ...
著者Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
登録日2009-06-25
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
4ZT6
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BU of 4zt6 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1709)
分子名称: DIMETHYL SULFOXIDE, METHIONINE, Methionyl-tRNA synthetase, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4N5H
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BU of 4n5h by Molmil
Crystal structure of ESTERASE B from Lactobacillus Rhamnosis (HN001)
分子名称: CALCIUM ION, CHLORIDE ION, Esterase/lipase, ...
著者Bennett, M.D, Holland, R, Loo, T.S, Smith, C.A, Norris, G.E, Delabre, M.-L, Anderson, B.F.
登録日2013-10-09
公開日2014-10-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Crystal structure of ESTERASE B from Lactobacillus Rhamnosis (HN001)
TO BE PUBLISHED
3RLL
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BU of 3rll by Molmil
Crystal structure of the T877A androgen receptor ligand binding domain in complex with (S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-cyanonaphthalen-1-yloxy)-2-hydroxy-2-methylpropanamide
分子名称: (2S)-3-[(4-cyanonaphthalen-1-yl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
著者Bohl, C.E, Duke, C.B, Jones, A, Dalton, J.T, Miller, D.D.
登録日2011-04-19
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Unexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets.
J.Med.Chem., 54, 2011
3RLJ
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BU of 3rlj by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-22
分子名称: (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
著者Bohl, C.E, Duke, C.B, Jones, A, Dalton, J.T, Miller, D.D.
登録日2011-04-19
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets.
J.Med.Chem., 54, 2011
6QS1
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BU of 6qs1 by Molmil
Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with BPPb
分子名称: 1,2-ETHANEDIOL, 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Cozier, G.E, Acharya, K.R.
登録日2019-02-20
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the C-domain-selective angiotensin-converting enzyme inhibition by bradykinin-potentiating peptide b (BPPb).
Biochem.J., 476, 2019
6DQA
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BU of 6dqa by Molmil
Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
分子名称: 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.888 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6GRS
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BU of 6grs by Molmil
Paired immunoglobulin-like receptor B (PirB) or Leukocyte immunoglobulin-like receptor subfamily B member 3 (LILRB3) full extracellular domain
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, Paired immunoglobulin-like receptor B
著者Vlieg, H.C, Huizinga, E.G, Janssen, B.J.C.
登録日2018-06-12
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure and flexibility of the extracellular region of the PirB receptor.
J.Biol.Chem., 294, 2019
3IDP
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BU of 3idp by Molmil
B-Raf V600E kinase domain in complex with an aminoisoquinoline inhibitor
分子名称: B-Raf proto-oncogene serine/threonine-protein kinase, N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine
著者Whittington, D.A, Epstein, L.F.
登録日2009-07-21
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Selective inhibitors of the mutant B-raf pathway: discovery of a potent and orally bioavailable aminoisoquinoline.
J.Med.Chem., 52, 2009
2KL5
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BU of 2kl5 by Molmil
Solution NMR Structure of protein yutD from B.subtilis, Northeast Structural Genomics Consortium Target SR232
分子名称: Uncharacterized protein yutD
著者Liu, G, Hamilton, K, Xiao, R, Ciccosanti, C, Ho, C.J, Everett, J, Nair, R, Acton, T, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2009-06-30
公開日2009-07-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of protein yutD from B.subtilis, Northeast Structural Genomics Consortium Target Target SR232
To be Published

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件を2024-10-16に公開中

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