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4TTP
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BU of 4ttp by Molmil
Crystal structure of Legionella pneumophila dephospho-CoA kinase in apo-form
分子名称: Dephospho-CoA kinase
著者Gong, X, Ge, H.
登録日2014-06-22
公開日2014-12-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Legionella pneumophila dephospho-CoA kinase reveals a non-canonical conformation of P-loop.
J.Struct.Biol., 188, 2014
1EQ0
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BU of 1eq0 by Molmil
SOLUTION STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE COMPLEXED WITH MGAMPPCP
分子名称: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
著者Shi, G, Yan, H.
登録日2000-03-30
公開日2001-11-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Unusual conformational changes in 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as revealed by X-ray crystallography and NMR.
J.Biol.Chem., 276, 2001
4HXX
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BU of 4hxx by Molmil
Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1
分子名称: (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine, COBALT (II) ION, Methionine aminopeptidase 1, ...
著者Gabelli, S.B, Zhang, F, Liu, J, Amzel, L.M.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1.
Bioorg.Med.Chem., 21, 2013
4ZPV
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BU of 4zpv by Molmil
Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D12 Fab Heavy chain, D12 Fab light chain, ...
著者Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
登録日2015-05-08
公開日2015-10-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Evaluation of candidate vaccine approaches for MERS-CoV.
Nat Commun, 6, 2015
4HPO
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BU of 4hpo by Molmil
Crystal structure of RV144-elicited antibody CH58 in complex with V2 peptide
分子名称: CH58 Fab heavy chain, CH58 Fab light chain, Envelope glycoprotein gp160, ...
著者McLellan, J.S, Gorman, J, Haynes, B.F, Kwong, P.D.
登録日2012-10-24
公開日2013-02-06
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2.
Immunity, 38, 2013
4ZPW
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BU of 4zpw by Molmil
Structure of unbound MERS-CoV spike receptor-binding domain (England1 strain).
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Spike glycoprotein
著者Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
登録日2015-05-08
公開日2015-08-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.023 Å)
主引用文献Evaluation of candidate vaccine approaches for MERS-CoV.
Nat Commun, 6, 2015
4I7F
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BU of 4i7f by Molmil
HIV-1 Reverse Transcriptase in complex with a phosphonate analog of nevirapine
分子名称: CHLORIDE ION, MAGNESIUM ION, Reverse transcriptase, ...
著者Lansdon, E.B, Parrish, J.
登録日2012-11-30
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Synthesis and biological evaluation of phosphonate analogues of nevirapine.
Bioorg.Med.Chem.Lett., 23, 2013
4ZRT
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BU of 4zrt by Molmil
PTP1BC215S bound to Nephrin peptide substrate
分子名称: CHLORIDE ION, GLY-PRO-LEU-PTR-ASP-GLU, GLYCEROL, ...
著者Selner, N.G, Bell, C.E, Pei, D.
登録日2015-05-12
公開日2015-06-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Diverse levels of sequence selectivity and catalytic efficiency of protein-tyrosine phosphatases.
Biochemistry, 53, 2014
1X18
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BU of 1x18 by Molmil
Contact sites of ERA GTPase on the THERMUS THERMOPHILUS 30S SUBUNIT
分子名称: 30S ribosomal protein S11, 30S ribosomal protein S18, 30S ribosomal protein S2, ...
著者Sharma, M.R, Barat, C, Agrawal, R.K.
登録日2005-04-02
公開日2005-05-17
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (13.5 Å)
主引用文献Interaction of Era with the 30S Ribosomal Subunit Implications for 30S Subunit Assembly
Mol.Cell, 18, 2005
1X1L
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BU of 1x1l by Molmil
Interaction of ERA,a GTPase protein, with the 3'minor domain of the 16S rRNA within the THERMUS THERMOPHILUS 30S subunit.
分子名称: GTP-binding protein era, RNA (130-MER)
著者Sharma, M.R, Barat, C, Agrawal, R.K.
登録日2005-04-06
公開日2005-05-17
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (13.5 Å)
主引用文献Interaction of Era with the 30S Ribosomal Subunit Implications for 30S Subunit Assembly
Mol.Cell, 18, 2005
9GCX
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BU of 9gcx by Molmil
Crystal structure of bovine Cytochrome bc1 in complex with inhibitor F8
分子名称: (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, 2-methyl-3-(4-(4-(trifluoromethoxy)phenoxy)phenyl)-1,5,7,8-tetrahydro-4H-pyrano[4,3-b]pyridin-4-one, ...
著者Pinthong, N, Hong, W, ONeill, P.W, Antonyuk, S.V.
登録日2024-08-03
公開日2025-01-22
実験手法X-RAY DIFFRACTION (3.522 Å)
主引用文献Novel antimalarial 3-substituted quinolones isosteres with improved pharmacokinetic properties.
Eur.J.Med.Chem., 284, 2024
4H3I
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BU of 4h3i by Molmil
Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
分子名称: 3-{5-[(2E,4aR,7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Mandal, M.
登録日2012-09-13
公開日2012-11-07
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4HQQ
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BU of 4hqq by Molmil
Crystal structure of RV144-elicited antibody CH58
分子名称: CH58 Fab heavy chain, CH58 Fab light chain
著者McLellan, J.S, Haynes, B.F, Kwong, P.D.
登録日2012-10-25
公開日2013-02-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2.
Immunity, 38, 2013
4OLX
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BU of 4olx by Molmil
Crystal structure of antibody VRC07-G54L in complex with clade A/E 93TH057 HIV-1 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
著者Kwon, Y.D, Kwong, P.D.
登録日2014-01-25
公開日2014-09-03
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
9G0U
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BU of 9g0u by Molmil
Human LTC4 synthase in complex with AZD9898
分子名称: (1~{S},2~{S})-2-[5-[[5-chloranyl-2,4-bis(fluoranyl)phenyl]-(2-fluoranyl-2-methyl-propyl)amino]-3-methoxy-pyrazin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ...
著者Srinivas, H.
登録日2024-07-08
公開日2025-02-26
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of GJG057, a Potent and Highly Selective Inhibitor of Leukotriene C4 Synthase.
J.Med.Chem., 68, 2025
9G0V
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BU of 9g0v by Molmil
Human LTC4 synthase in complex with compound 1
分子名称: 1-[3,4-bis(fluoranyl)phenyl]-9-[6-[2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ...
著者Srinivas, H.
登録日2024-07-08
公開日2025-02-26
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (2.784 Å)
主引用文献Discovery of GJG057, a Potent and Highly Selective Inhibitor of Leukotriene C4 Synthase.
J.Med.Chem., 68, 2025
9G1T
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BU of 9g1t by Molmil
Human LTC4 synthase in complex with compound 5
分子名称: 1-(4-chloranyl-3-fluoranyl-phenyl)-9-[(~{E})-3-phenylprop-2-enoyl]-1,9-diazaspiro[5.5]undecan-2-one, Leukotriene C4 synthase, PALMITIC ACID, ...
著者Srinivas, H.
登録日2024-07-10
公開日2025-02-26
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of GJG057, a Potent and Highly Selective Inhibitor of Leukotriene C4 Synthase.
J.Med.Chem., 68, 2025
9G14
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BU of 9g14 by Molmil
Human LTC4 synthase in complex with compound 2
分子名称: 1-(phenylmethyl)-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one, DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, ...
著者Srinivas, H.
登録日2024-07-09
公開日2025-02-26
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Discovery of GJG057, a Potent and Highly Selective Inhibitor of Leukotriene C4 Synthase.
J.Med.Chem., 68, 2025
4TTR
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BU of 4ttr by Molmil
Crystal structure of Legionella pneumophila dephospho-CoA kinase in complex with Bu2
分子名称: 1,3-BUTANEDIOL, Dephospho-CoA kinase, PHOSPHATE ION
著者Yu, D, Ge, H.
登録日2014-06-22
公開日2014-12-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of Legionella pneumophila dephospho-CoA kinase reveals a non-canonical conformation of P-loop.
J.Struct.Biol., 188, 2014
9KD5
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BU of 9kd5 by Molmil
Structure of WDR5 in complex with WIN motif containing Kif2A S121G
分子名称: Kinesin-like protein KIF2A, WD repeat-containing protein 5
著者Xu, L, Yang, Y.
登録日2024-11-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of Kif2A complexed with WDR5 reveal the structural plasticity of WIN-S7 sites.
Acta Biochim.Biophys.Sin., 2025
9KD4
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BU of 9kd4 by Molmil
Structure of WDR5 in complex with WIN motif containing Kif2A 114-120
分子名称: Kinesin-like protein KIF2A, WD repeat-containing protein 5
著者Xu, L, Yang, Y.
登録日2024-11-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structures of Kif2A complexed with WDR5 reveal the structural plasticity of WIN-S7 sites.
Acta Biochim.Biophys.Sin., 2025
9JWV
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BU of 9jwv by Molmil
Structure of WDR5 Y191F in complex with WIN motif containing Kif2A
分子名称: Kinesin-like protein KIF2A, WD repeat-containing protein 5
著者Xu, L, Yang, Y.
登録日2024-10-10
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of Kif2A complexed with WDR5 reveal the structural plasticity of WIN-S7 sites.
Acta Biochim.Biophys.Sin., 2025
9J20
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Structure of WDR5 in complex with KIF2A
分子名称: 1,2-ETHANEDIOL, Kinesin-like protein KIF2A, WD repeat-containing protein 5
著者Xu, L, Yang, Y.
登録日2024-08-06
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of Kif2A complexed with WDR5 reveal the structural plasticity of WIN-S7 sites.
Acta Biochim.Biophys.Sin., 2025
4HPY
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BU of 4hpy by Molmil
Crystal structure of RV144-elicited antibody CH59 in complex with V2 peptide
分子名称: CH59 Fab heavy chain, CH59 Fab light chain, Envelope glycoprotein gp160, ...
著者McLellan, J.S, Gorman, J, Haynes, B.F, Kwong, P.D.
登録日2012-10-24
公開日2013-02-06
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2.
Immunity, 38, 2013
2NQ3
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BU of 2nq3 by Molmil
Crystal structure of the C2 Domain of Human Itchy Homolog E3 Ubiquitin Protein Ligase
分子名称: CHLORIDE ION, Itchy homolog E3 ubiquitin protein ligase
著者Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2006-10-30
公開日2006-11-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The C2 Domain of Human Itchy Homolog E3 Ubiquitin Protein Ligase
To be Published

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件を2025-07-09に公開中

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