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3SDK
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BU of 3sdk by Molmil
Structure of yeast 20S open-gate proteasome with Compound 34
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-[(2S)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide, ...
著者Sintchak, M.D.
登録日2011-06-09
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome.
Bioorg.Med.Chem.Lett., 20, 2010
3SDI
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BU of 3sdi by Molmil
Structure of yeast 20S open-gate proteasome with Compound 20
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N~4~-(2,2-dimethylpropyl)-N~1~-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-N~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-aspartamide, ...
著者Sintchak, M.D.
登録日2011-06-09
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome.
Bioorg.Med.Chem.Lett., 20, 2010
3U3I
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BU of 3u3i by Molmil
A RNA binding protein from Crimean-Congo hemorrhagic fever virus
分子名称: Nucleocapsid protein
著者Guo, Y, Wang, W.M, Ji, W, Deng, M, Sun, Y.N, Lou, Z.Y, Rao, Z.H.
登録日2011-10-06
公開日2012-03-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Crimean-Congo hemorrhagic fever virus nucleoprotein reveals endonuclease activity in bunyaviruses
Proc.Natl.Acad.Sci.USA, 109, 2012
5YUD
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BU of 5yud by Molmil
Flagellin derivative in complex with the NLR protein NAIP5
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Baculoviral IAP repeat-containing protein 1e, Phase 2 flagellin,Flagellin
著者Yang, X.R, Yang, F, Wang, W.G, Lin, G.Z.
登録日2017-11-21
公開日2018-01-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.28 Å)
主引用文献Structural basis for specific flagellin recognition by the NLR protein NAIP5.
Cell Res., 28, 2018
2PA3
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BU of 2pa3 by Molmil
crystal structure of serine bound G336V mutant of E.coli phosphoglycerate dehydrogenase
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-3-phosphoglycerate dehydrogenase, SERINE
著者Dey, S, Sacchettini, J.C.
登録日2007-03-27
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献The Effect of Hinge Mutations on Effector Binding and Domain Rotation in Escherichia coli D-3-Phosphoglycerate Dehydrogenase.
J.Biol.Chem., 282, 2007
2P9C
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BU of 2p9c by Molmil
Crystal structure of serine bound G336V mutant of E.coli phosphoglycerate dehydrogenase
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-3-phosphoglycerate dehydrogenase, SERINE
著者Dey, S, Sacchettini, J.C.
登録日2007-03-24
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献The Effect of Hinge Mutations on Effector Binding and Domain Rotation in Escherichia coli D-3-Phosphoglycerate Dehydrogenase
J.Biol.Chem., 282, 2007
2P9G
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BU of 2p9g by Molmil
Crystal structure of serine bound G336V,G337V double mutant of E.coli phosphoglycerate dehydrogenase
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-3-phosphoglycerate dehydrogenase, SERINE
著者Dey, S, Sacchettini, J.C.
登録日2007-03-25
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Effect of Hinge Mutations on Effector Binding and Domain Rotation in Escherichia coli D-3-Phosphoglycerate Dehydrogenase.
J.Biol.Chem., 282, 2007
2P9E
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BU of 2p9e by Molmil
Crystal Structure of G336V mutant of E.coli phosphoglycerate dehydrogenase
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CITRIC ACID, D-3-phosphoglycerate dehydrogenase, ...
著者Dey, S, Sacchettini, J.C.
登録日2007-03-25
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Effect of Hinge Mutations on Effector Binding and Domain Rotation in Escherichia coli D-3-Phosphoglycerate Dehydrogenase
J.Biol.Chem., 282, 2007
7X1M
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BU of 7x1m by Molmil
The complex structure of Omicron BA.1 RBD with BD604, S309,and S304
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab heavy chain, BD-604 Fab light chain, ...
著者Huang, M, Xie, Y.F, Qi, J.X.
登録日2022-02-24
公開日2022-07-06
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Atlas of currently available human neutralizing antibodies against SARS-CoV-2 and escape by Omicron sub-variants BA.1/BA.1.1/BA.2/BA.3.
Immunity, 55, 2022
4LPG
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BU of 4lpg by Molmil
Crystal structure of human FPPS in complex with CL01131
分子名称: ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, PHOSPHATE ION
著者Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-07-16
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
3OEV
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BU of 3oev by Molmil
Structure of yeast 20S open-gate proteasome with Compound 25
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(benzyloxy)-N-[(2S,3R)-3-hydroxy-1-{[(2S)-1-{[(3-methylthiophen-2-yl)methyl]amino}-1-oxo-4-phenylbutan-2-yl]amino}-1-oxobutan-2-yl]benzamide, MAGNESIUM ION, ...
著者Sintchak, M.D.
登録日2010-08-13
公開日2011-07-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome.
Bioorg.Med.Chem.Lett., 20, 2010
4LPH
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BU of 4lph by Molmil
Crystal structure of human FPPS in complex with CL03093
分子名称: ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION
著者Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
登録日2013-07-16
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
3OEU
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BU of 3oeu by Molmil
Structure of yeast 20S open-gate proteasome with Compound 24
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-{(2S)-1-[(2-chlorobenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-N~2~-[3-(2-methylphenyl)propanoyl]-L-threoninamide, ...
著者Sintchak, M.D.
登録日2010-08-13
公開日2011-07-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome.
Bioorg.Med.Chem.Lett., 20, 2010
8K8H
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BU of 8k8h by Molmil
Crystal structure of the CysR-CTLD3 fragment of human DEC205
分子名称: Lymphocyte antigen 75
著者Qian, Y, Kong, D, Yu, B, He, Y.
登録日2023-07-29
公開日2024-02-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Interaction of human dendritic cell receptor DEC205/CD205 with keratins.
J.Biol.Chem., 300, 2024
8D6Z
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BU of 8d6z by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27
分子名称: Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide
著者Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A.
登録日2022-06-06
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8DAO
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BU of 8dao by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV44-79
分子名称: COV44-79 heavy chain constant domain, COV44-79 heavy chain variable domain, COV44-79 light chain constant domain, ...
著者Lin, T.H, Lee, C.C.D, Yuan, M, Wilson, I.A.
登録日2022-06-13
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8D36
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BU of 8d36 by Molmil
Crystal structure of SARS-CoV-2 fusion peptide in complex with neutralizing antibody COV44-62
分子名称: Neutralizing antibody COV44-62 heavy chain, Neutralizing antibody COV44-62 light chain, Spike protein S2 fusion peptide
著者Yuan, M, Lee, C.C.D, Wilson, I.A.
登録日2022-05-31
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8DTT
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BU of 8dtt by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03
分子名称: COV93-03 heavy chain, COV93-03 light chain, Spike protein S2' stem helix peptide
著者Lee, C.C.D, Lin, T.H, Wilson, I.A.
登録日2022-07-26
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTX
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BU of 8dtx by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22
分子名称: COV89-22 heavy chain, COV89-22 light chain, Spike protein S2' stem helix peptide
著者Lin, T.H, Lee, C.C.D, Wilson, I.A.
登録日2022-07-26
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTR
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BU of 8dtr by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV30-14
分子名称: COV30-14 heavy chain, COV30-14 light chain, Spike protein S2' stem helix peptide
著者Lee, C.C.D, Lin, T.H, Wilson, I.A.
登録日2022-07-26
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
1P9Z
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BU of 1p9z by Molmil
The Solution Structure of Antifungal Peptide Distinct With a Five-disulfide Motif from Eucommia ulmoides Oliver
分子名称: Eucommia Antifungal peptide 2
著者Huang, R.H, Xiang, Y, Tu, G.Z, Zhang, Y, Wang, D.C.
登録日2003-05-13
公開日2004-05-25
最終更新日2019-12-25
実験手法SOLUTION NMR
主引用文献Solution Structure of Eucommia Antifungal Peptide: A Novel Structural Model Distinct with a Five-Disulfide Motif.
Biochemistry, 43, 2004
1YGY
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BU of 1ygy by Molmil
Crystal Structure of D-3-Phosphoglycerate dehydrogenase From Mycobacterium tuberculosis
分子名称: D-3-phosphoglycerate dehydrogenase, L(+)-TARTARIC ACID
著者Dey, S, Grant, G.A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2005-01-05
公開日2005-01-25
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Mycobacterium tuberculosis D-3-Phosphoglycerate Dehydrogenase: EXTREME ASYMMETRY IN A TETRAMER OF IDENTICAL SUBUNITS
J.Biol.Chem., 280, 2005
5W3T
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BU of 5w3t by Molmil
Crystal structure of PopP2 in complex with IP6
分子名称: GLYCEROL, INOSITOL HEXAKISPHOSPHATE, PopP2 protein
著者Song, J, Zhang, Z.M.
登録日2017-06-08
公開日2017-08-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mechanism of host substrate acetylation by a YopJ family effector.
Nat Plants, 3, 2017
5W40
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Crystal structure of PopP2 F318S in complex with IP6 and AcCoA
分子名称: COENZYME A, INOSITOL HEXAKISPHOSPHATE, PopP2 protein
著者Zhang, Z.M, Gao, L, Song, J.
登録日2017-06-08
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Mechanism of host substrate acetylation by a YopJ family effector.
Nat Plants, 3, 2017
5W3Y
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Crystal structure of PopP2 C321A in complex with IP6 and AcCoA
分子名称: ACETYL COENZYME *A, INOSITOL HEXAKISPHOSPHATE, PopP2 protein
著者Zhang, Z.M, Gao, L, Song, J.
登録日2017-06-08
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of host substrate acetylation by a YopJ family effector.
Nat Plants, 3, 2017

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