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4JV9
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BU of 4jv9 by Molmil
Co-crystal structure of MDM2 with inhibitor (2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one
分子名称: (2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
登録日2013-03-25
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
5T0L
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BU of 5t0l by Molmil
Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF and 5-(4-(3,4-dichlorophenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-15)
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine, ...
著者Thomas, S.B, Chen, Z, Lu, H, Li, Y.
登録日2016-08-16
公開日2016-09-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Discovery of Potent and Selective Leads against Toxoplasma gondii Dihydrofolate Reductase via Structure-Based Design.
ACS Med Chem Lett, 7, 2016
5THH
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BU of 5thh by Molmil
Crystal structure of a human tyrosyl-tRNA synthetase mutant
分子名称: TYROSINE, Tyrosine--tRNA ligase, cytoplasmic
著者Blocquel, D, Yang, X.L.
登録日2016-09-29
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.959 Å)
主引用文献Alternative stable conformation capable of protein misinteraction links tRNA synthetase to peripheral neuropathy.
Nucleic Acids Res., 45, 2017
2ONN
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BU of 2onn by Molmil
Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, Apo form
分子名称: Aldehyde dehydrogenase
著者Larson, H.N, Hurley, T.D.
登録日2007-01-24
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
2ONP
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BU of 2onp by Molmil
Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, complexed with NAD+
分子名称: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GUANIDINE, ...
著者Larson, H.N, Hurley, T.D.
登録日2007-01-24
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
8GOU
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BU of 8gou by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-25
公開日2023-06-28
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
分子名称: Spike protein S1, scFv
著者Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
登録日2022-08-27
公開日2023-06-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
4HBM
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BU of 4hbm by Molmil
Ordering of the N Terminus of Human MDM2 by Small Molecule Inhibitors
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2012-09-28
公開日2012-10-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ordering of the N-terminus of human MDM2 by small molecule inhibitors.
J.Am.Chem.Soc., 134, 2012
5THL
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BU of 5thl by Molmil
Crystal structure of the human tyrosyl-tRNA synthetase mutant G41R
分子名称: Tyrosine--tRNA ligase, cytoplasmic
著者Blocquel, D, Sajish, M, Yang, X.L.
登録日2016-09-29
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Alternative stable conformation capable of protein misinteraction links tRNA synthetase to peripheral neuropathy.
Nucleic Acids Res., 45, 2017
2ONO
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BU of 2ono by Molmil
Arg475Gln Mutant of Mitochondrial Aldehyde Dehydrogenase, apo form, pseudo-merohedrally twinned
分子名称: Aldehyde dehydrogenase
著者Larson, H.N, Hurley, T.D.
登録日2007-01-24
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
2ONM
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BU of 2onm by Molmil
Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with NAD+
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, ...
著者Larson, H.N, Hurley, T.D.
登録日2007-01-24
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
1Y4K
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BU of 1y4k by Molmil
Lipoxygenase-1 (Soybean) at 100K, N694G Mutant
分子名称: 1,2-ETHANEDIOL, ACETATE ION, FE (II) ION, ...
著者Chruszcz, M, Segraves, E, Holman, T.R, Minor, W.
登録日2004-12-01
公開日2005-12-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Kinetic, spectroscopic, and structural investigations of the soybean lipoxygenase-1 first-coordination sphere mutant, Asn694Gly.
Biochemistry, 45, 2006
2OCG
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BU of 2ocg by Molmil
Crystal structure of human valacyclovir hydrolase
分子名称: GLYCEROL, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Lai, L, Xu, Z, Amidon, G.L.
登録日2006-12-20
公開日2008-02-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase.
J.Biol.Chem., 283, 2008
5HSM
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BU of 5hsm by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887
分子名称: SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv2887
著者Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J.
登録日2016-01-26
公開日2017-02-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis
Sci Rep, 7, 2017
2OCI
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BU of 2oci by Molmil
Crystal structure of valacyclovir hydrolase complexed with a product analogue
分子名称: L-TYROSINAMIDE, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Lai, L, Xu, Z, Amidon, G.L.
登録日2006-12-20
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase.
J.Biol.Chem., 283, 2008
2OCK
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BU of 2ock by Molmil
Crystal structure of valacyclovir hydrolase D123N mutant
分子名称: MAGNESIUM ION, MANGANESE (II) ION, Valacyclovir hydrolase
著者Lai, L, Xu, Z, Amidon, G.L.
登録日2006-12-20
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase.
J.Biol.Chem., 283, 2008
2OCL
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BU of 2ocl by Molmil
Crystal structure of valacyclovir hydrolase S122A mutant
分子名称: MAGNESIUM ION, MANGANESE (II) ION, Valacyclovir hydrolase
著者Lai, L, Xu, Z, Amidon, G.L.
登録日2006-12-20
公開日2008-02-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase.
J.Biol.Chem., 283, 2008
4JWR
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BU of 4jwr by Molmil
Co-crystal structure of MDM2 with inhibitor {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
分子名称: E3 ubiquitin-protein ligase Mdm2, {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
著者Shaffer, P.L.
登録日2013-03-27
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
2F5K
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BU of 2f5k by Molmil
Crystal structure of the chromo domain of human MRG15
分子名称: Mortality factor 4-like protein 1
著者Zhang, P, Du, J, Ding, J.
登録日2005-11-26
公開日2006-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of human MRG15 chromo domain and its binding to Lys36-methylated histone H3.
Nucleic Acids Res., 34, 2006
6RJK
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BU of 6rjk by Molmil
Structure of virulence factor SghA from Agrobacterium tumefaciens
分子名称: Beta-glucosidase
著者Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
登録日2019-04-27
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
6RK2
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BU of 6rk2 by Molmil
Complex structure of virulence factor SghA mutant with its substrate SAG
分子名称: 2-(alpha-L-altropyranosyloxy)benzoic acid, Beta-glucosidase
著者Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
登録日2019-04-30
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
6RJM
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BU of 6rjm by Molmil
Complex structure of virulence factor SghA and its hydrolysis product glucose
分子名称: Beta-glucosidase, alpha-D-glucopyranose
著者Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
登録日2019-04-27
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
6RJO
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BU of 6rjo by Molmil
Complex structure of virulence factor SghA with its substrate analog salicin
分子名称: 2-(hydroxymethyl)phenyl beta-D-glucopyranoside, Beta-glucosidase
著者Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
登録日2019-04-28
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
8QUT
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BU of 8qut by Molmil
Cryo-EM structure of the heat-irreversible amyloid fibrils of human lysozyme
分子名称: Lysozyme C, Unidentified peptide
著者Frey, L, Greenwald, J, Riek, R.
登録日2023-10-17
公開日2024-09-18
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献A structural rationale for reversible vs irreversible amyloid fibril formation from a single protein.
Nat Commun, 15, 2024
8QV8
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BU of 8qv8 by Molmil
Cryo-EM structure of the heat-irreversible amyloid fibrils of hen egg-white lysozyme
分子名称: Lysozyme C, Unidentified peptide
著者Frey, L, Greenwald, J, Riek, R.
登録日2023-10-17
公開日2024-09-18
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献A structural rationale for reversible vs irreversible amyloid fibril formation from a single protein.
Nat Commun, 15, 2024

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