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6Z98
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BU of 6z98 by Molmil
NMR solution structure of the peach allergen Pru p 1.0101
分子名称: Major allergen Pru p 1
著者Eidelpes, R, Fuehrer, S, Hofer, F, Kamenik, A.S, Liedl, K.R, Tollinger, M.
登録日2020-06-03
公開日2021-06-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and Zeatin Binding of the Peach Allergen Pru p 1 .
J.Agric.Food Chem., 69, 2021
2JNR
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BU of 2jnr by Molmil
Discovery and optimization of a natural HIV-1 entry inhibitor targeting the gp41 fusion peptide
分子名称: ENV polyprotein, VIR165
著者Munch, J, Standker, L, Adermann, K, Schulz, A, Pohlmann, S, Chaipan, C, Biet, T, Peters, T, Meyer, B, Wilhelm, D, Lu, H, Jing, W, Jiang, S, Forssmann, W, Kirchhoff, F.
登録日2007-02-01
公開日2007-05-08
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Discovery and Optimization of a Natural HIV-1 Entry Inhibitor Targeting the gp41 Fusion Peptide.
Cell(Cambridge,Mass.), 129, 2007
4PRU
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BU of 4pru by Molmil
Crystal structure of dimethyllysine hen egg-white lysozyme in complex with sclx4 at 2.2 A resolution
分子名称: 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, GLYCEROL, Lysozyme C
著者McGovern, R.E, Lyons, J.A, Crowley, P.B.
登録日2014-03-06
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural study of a small molecule receptor bound to dimethyllysine in lysozyme.
Chem Sci, 6, 2015
4N0J
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BU of 4n0j by Molmil
Crystal structure of dimethyllysine hen egg-white lysozyme in complex with sclx4 at 1.9 A resolution
分子名称: 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, CHLORIDE ION, GLYCEROL, ...
著者McGovern, R.E, Crowley, P.B.
登録日2013-10-02
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural study of a small molecule receptor bound to dimethyllysine in lysozyme.
Chem Sci, 6, 2015
2WND
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BU of 2wnd by Molmil
Structure of an S100A7 triple mutant
分子名称: CALCIUM ION, PROTEIN S100-A7, ZINC ION
著者West, N.R, Farnell, B, Watson, P.H, Boulanger, M.J.
登録日2009-07-08
公開日2009-11-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Functional Characterization of a Triple Mutant Form of S100A7 Defective for Jab1 Binding.
Protein Sci., 18, 2009
8OK1
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BU of 8ok1 by Molmil
WD repeat containing protein 5 (WDR5)- N225A mutant
分子名称: Glutathione S-transferase class-mu 26 kDa isozyme,WD repeat-containing protein 5
著者Wolf, E, Boergel, A.
登録日2023-03-26
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献A structural competition involving WDR5 times circadian oscillations
To Be Published
8OKF
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BU of 8okf by Molmil
WD repeat containing protein 5 (WDR5)- PER2 peptide
分子名称: CHLORIDE ION, Glutathione S-transferase class-mu 26 kDa isozyme,WD repeat domain 5, PENTAETHYLENE GLYCOL, ...
著者Wolf, E, Boergel, A.
登録日2023-03-28
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A structural competition involving WDR5 times circadian oscillations
To Be Published
5FA5
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BU of 5fa5 by Molmil
Crystal Structure of PRMT5:MEP50 in complex with MTA and H4 peptide
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Histone H4, Methylosome protein 50, ...
著者Sprague, E.R, McNamara, J.T.
登録日2015-12-10
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Disordered methionine metabolism in MTAP/CDKN2A-deleted cancers leads to dependence on PRMT5.
Science, 351, 2016
6TRK
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BU of 6trk by Molmil
Phl p 6 fold stabilized mutant - S46Y
分子名称: Pollen allergen Phl p 6, ZINC ION
著者Soh, W.T, Brandstetter, H.
登録日2019-12-19
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献In silico Design of Phl p 6 Variants With Altered Fold-Stability Significantly Impacts Antigen Processing, Immunogenicity and Immune Polarization.
Front Immunol, 11, 2020
3KRR
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BU of 3krr by Molmil
Crystal Structure of JAK2 complexed with a potent quinoxaline ATP site inhibitor
分子名称: 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline, Tyrosine-protein kinase JAK2
著者Tavares, G.A, Gerspacher, M, Kroemer, M, Scheufler, C.
登録日2009-11-19
公開日2010-07-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent and Selective Inhibition of Polycythemia by the Quinoxaline JAK2 Inhibitor NVP-BSK805
Mol.Cancer Ther., 9, 2010
1RAX
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BU of 1rax by Molmil
RA-DOMAIN OF RAL GUANOSINE-NUCLEOTIDE DISSOCIATION STIMULATOR
分子名称: PROTEIN (RA-DOMAIN OF RAL GUANOSINE DISSOCIATION STIMULATOR)
著者Mueller, T.D, Handel, L, Schmieder, P, Oschkinat, H.
登録日1999-03-13
公開日1999-03-19
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献High-Resolution Structure of the Ra-Domain of Human Ralgds and a Dynamics Study of its Binding Loop to Ras
To be Published
2N0X
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BU of 2n0x by Molmil
Three dimensional structure of EPI-X4, a human albumin-derived peptide that regulates innate immunity through the CXCR4/CXCL12 chemotactic axis and antagonizes HIV-1 entry
分子名称: Serum albumin
著者Perez-Castells, J, Canales, A, Jimenez-Barbero, J, Gimenez-Gallego, G.
登録日2015-03-18
公開日2015-04-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Discovery and characterization of an endogenous CXCR4 antagonist.
Cell Rep, 11, 2015
3UGC
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BU of 3ugc by Molmil
Structural basis of Jak2 inhibition by the type II inhibtor NVP-BBT594
分子名称: 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide, MALONATE ION, Tyrosine-protein kinase JAK2
著者Scheufler, C, Tavares, G.A, Manley, P.W, Pissot-Soldermann, C, Kroemer, M.
登録日2011-11-02
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Modulation of activation-loop phosphorylation by JAK inhibitors is binding mode dependent.
Cancer Discov, 2, 2012
2RGF
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BU of 2rgf by Molmil
RBD OF RAL GUANOSINE-NUCLEOTIDE EXCHANGE FACTOR (PROTEIN), NMR, 10 STRUCTURES
分子名称: RALGEF-RBD
著者Geyer, M, Herrmann, C, Wittinghofer, A, Kalbitzer, H.R.
登録日1997-02-13
公開日1998-03-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the Ras-binding domain of RalGEF and implications for Ras binding and signalling.
Nat.Struct.Biol., 4, 1997
7C53
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BU of 7c53 by Molmil
Crystal Structure of SARS-CoV-2 HR1 motif in complex with pan-CoVs inhibitor EK1
分子名称: CALCIUM ION, Spike protein S2',pan-CoVs inhibitor EK1
著者Zhu, Y, Yang, X, Sun, F.
登録日2020-05-19
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.278 Å)
主引用文献Structural and functional basis for pan-CoV fusion inhibitors against SARS-CoV-2 and its variants with preclinical evaluation.
Signal Transduct Target Ther, 6, 2021
4OKF
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BU of 4okf by Molmil
RNase S in complex with an artificial peptide
分子名称: CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION
著者Genz, M, Strater, N.
登録日2014-01-22
公開日2015-03-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献X-ray structure of a RNase S variant in complex with an artificial peptide
To be Published
6UTB
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BU of 6utb by Molmil
CRYSTAL STRUCTURE OF UNLIGANDED HIV-1 LM/HT CLADE A/E CRF01 GP120 CORE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HT Clade A/E CRF01 gp120 core
著者Tolbert, W.D, Sherburn, R, Pazgier, M.
登録日2019-10-29
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The HIV-1 Env gp120 Inner Domain Shapes the Phe43 Cavity and the CD4 Binding Site.
Mbio, 11, 2020
6USW
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BU of 6usw by Molmil
CRYSTAL STRUCTURE OF HIV-1 LM/HS CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH (S)-MCG-IV-210
分子名称: (3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tolbert, W.D, Sherburn, R, Pazgier, M.
登録日2019-10-28
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The HIV-1 Env gp120 Inner Domain Shapes the Phe43 Cavity and the CD4 Binding Site.
Mbio, 11, 2020
6UT1
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BU of 6ut1 by Molmil
CRYSTAL STRUCTURE OF HIV-1 LM/HS CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH BNM-III-170
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HS clade A/E CRF01 gp120 core, ...
著者Tolbert, W.D, Sherburn, R, Pazgier, M.
登録日2019-10-29
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The HIV-1 Env gp120 Inner Domain Shapes the Phe43 Cavity and the CD4 Binding Site.
Mbio, 11, 2020
6UTD
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BU of 6utd by Molmil
CRYSTAL STRUCTURE OF UNLIGANDED HIV-1 LM/HS CLADE A/E CRF01 GP120 CORE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HS clade A/E CRF01 gp120 core
著者Tolbert, W.D, Sherburn, R, Pazgier, M.
登録日2019-10-29
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The HIV-1 Env gp120 Inner Domain Shapes the Phe43 Cavity and the CD4 Binding Site.
Mbio, 11, 2020
5MO4
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BU of 5mo4 by Molmil
ABL1 kinase (T334I_D382N) in complex with asciminib and nilotinib
分子名称: Nilotinib, Tyrosine-protein kinase ABL1, asciminib
著者Cowan-Jacob, S.W.
登録日2016-12-13
公開日2017-04-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献The allosteric inhibitor ABL001 enables dual targeting of BCR-ABL1.
Nature, 543, 2017
121P
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BU of 121p by Molmil
STRUKTUR UND GUANOSINTRIPHOSPHAT-HYDROLYSEMECHANISMUS DES C-TERMINAL VERKUERZTEN MENSCHLICHEN KREBSPROTEINS P21-H-RAS
分子名称: H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Krengel, U, Scheffzek, K, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F.
登録日1991-06-06
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Struktur Und Guanosintriphosphat-Hydrolysemechanismus Des C-Terminal Verkuerzten Menschlichen Krebsproteins P21-H-Ras
Thesis, 1991
6CM9
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BU of 6cm9 by Molmil
Structure of the cargo bound AP-1:Arf1:tetherin-Nef closed trimer monomeric subunit
分子名称: ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ...
著者Morris, K.L, Buffalo, C.Z, Ren, X, Hurley, J.H.
登録日2018-03-03
公開日2018-08-08
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献HIV-1 Nefs Are Cargo-Sensitive AP-1 Trimerization Switches in Tetherin Downregulation.
Cell, 174, 2018
6CRI
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BU of 6cri by Molmil
Structure of the cargo bound AP-1:Arf1:tetherin-Nef stable closed trimer
分子名称: ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ...
著者Morris, K.L, Buffalo, C.Z, Hurley, J.H.
登録日2018-03-18
公開日2018-08-01
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.8 Å)
主引用文献HIV-1 Nefs Are Cargo-Sensitive AP-1 Trimerization Switches in Tetherin Downregulation.
Cell, 174, 2018
6DFF
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BU of 6dff by Molmil
Structure of the cargo bound AP-1:Arf1:tetherin-Nef monomer
分子名称: ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ...
著者Morris, K.L, Buffalo, C.Z, Ren, X, Hurley, J.H.
登録日2018-05-14
公開日2018-08-08
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献HIV-1 Nefs Are Cargo-Sensitive AP-1 Trimerization Switches in Tetherin Downregulation.
Cell, 174, 2018

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