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PDB: 632 件

7UUC
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI19
分子名称: 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UU7
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Crystal structure of the SARS-CoV-2 main protease in its apo-form
分子名称: 3C-like proteinase nsp5
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UUB
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UUA
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8
分子名称: 3C-like proteinase nsp5, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UU9
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Crystal structure of the SARS-CoV-2 main protease in its apo-form
分子名称: 3C-like proteinase nsp5
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UUE
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI85
分子名称: 3C-like proteinase nsp5, benzyl [(2S,3R)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UUD
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33
分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Yang, K.S, Liu, W.R.
登録日2022-04-28
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
3IHI
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Crystal structure of mouse thymidylate synthase
分子名称: SULFATE ION, Thymidylate synthase
著者Dowiercial, A, Jarmula, A, Rypniewski, W.R, Sokolowska, M, Fraczyk, T, Ciesla, J, Rode, W.
登録日2009-07-30
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
Struct Chem, 2016
3IIY
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Crystal structure of Eed in complex with a trimethylated histone H1K26 peptide
分子名称: Histone H1K26 peptide, Polycomb protein EED
著者Justin, N, Sharpe, M.L, Martin, S, Taylor, W.R, De Marco, V, Gamblin, S.J.
登録日2009-08-03
公開日2009-09-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Role of the polycomb protein EED in the propagation of repressive histone marks.
Nature, 461, 2009
3IIW
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Crystal structure of Eed in complex with a trimethylated histone H3K27 peptide
分子名称: Histone H3 peptide, Polycomb protein EED
著者Justin, N, Sharpe, M.L, Martin, S, Taylor, W.R, De Marco, V, Gamblin, S.J.
登録日2009-08-03
公開日2009-09-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Role of the polycomb protein EED in the propagation of repressive histone marks.
Nature, 461, 2009
3IJ0
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Crystal structure of Eed in complex with a trimethylated histone H3K9 peptide
分子名称: Histone H3K9 peptide, Polycomb protein EED
著者Justin, N, Sharpe, M.L, Martin, S, Taylor, W.R, De Marco, V, Gamblin, S.J.
登録日2009-08-03
公開日2009-09-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Role of the polycomb protein EED in the propagation of repressive histone marks.
Nature, 461, 2009
3IJC
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Crystal structure of Eed in complex with NDSB-195
分子名称: ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, Polycomb protein EED
著者Justin, N, Sharpe, M.L, Martin, S, Taylor, W.R, De Marco, V, Gamblin, S.J.
登録日2009-08-04
公開日2009-09-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Role of the polycomb protein EED in the propagation of repressive histone marks.
Nature, 461, 2009
3IJ1
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Crystal structure of Eed in complex with a trimethylated histone H4K20 peptide
分子名称: Histone H4K20 peptide, Polycomb protein EED
著者Justin, N, Sharpe, M.L, Martin, S, Taylor, W.R, De Marco, V, Gamblin, S.J.
登録日2009-08-03
公開日2009-09-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Role of the polycomb protein EED in the propagation of repressive histone marks.
Nature, 461, 2009
3JWD
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Structure of HIV-1 gp120 with gp41-Interactive Region: Layered Architecture and Basis of Conformational Mobility
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB 48D HEAVY CHAIN, FAB 48D LIGHT CHAIN, ...
著者Pancera, M, Majeed, S, Ban, Y.A, Chen, L, Huang, C.C, Kong, L, Kwon, Y.D, Stuckey, J, Zhou, T, Robinson, J.E, Schief, W.R, Sodroski, J, Wyatt, R, Kwong, P.D.
登録日2009-09-18
公開日2009-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structure of HIV-1 gp120 with gp41-interactive region reveals layered envelope architecture and basis of conformational mobility.
Proc.Natl.Acad.Sci.USA, 107, 2010
3JCU
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Cryo-EM structure of spinach PSII-LHCII supercomplex at 3.2 Angstrom resolution
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Wei, X.P, Zhang, X.Z, Su, X.D, Cao, P, Liu, X.Y, Li, M, Chang, W.R, Liu, Z.F.
登録日2016-03-10
公開日2016-05-25
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of spinach photosystem II-LHCII supercomplex at 3.2 A resolution
Nature, 534, 2016
3I08
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Crystal structure of the S1-cleaved Notch1 Negative Regulatory Region (NRR)
分子名称: CALCIUM ION, CHLORIDE ION, Neurogenic locus notch homolog protein 1
著者Gordon, W.R, Blacklow, S.C.
登録日2009-06-24
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Effects of S1 cleavage on the structure, surface export, and signaling activity of human Notch1 and Notch2.
Plos One, 4, 2009
3K0T
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Crystal structure of PSPTO -PSP protein in complex with D-beta-Glucose from Pseudomonas syringae pv. tomato str. DC3000
分子名称: Endoribonuclease L-PSP, putative, beta-D-glucopyranose
著者Zhang, H.M, Li, M, Chang, W.R.
登録日2009-09-25
公開日2010-06-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the PSPTO-PSP protein from Pseudomonas syringae pv. tomato str. DC3000 in complex with D-glucose
Biochem.Biophys.Res.Commun., 397, 2010
7XN2
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Crystal structure of CvkR, a novel MerR-type transcriptional regulator
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Alr3614 protein, DI(HYDROXYETHYL)ETHER
著者Liang, Y.J, Zhu, T, Ma, H.L, Lu, X.F, Hess, W.R.
登録日2022-04-27
公開日2023-03-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献CvkR is a MerR-type transcriptional repressor of class 2 type V-K CRISPR-associated transposase systems.
Nat Commun, 14, 2023
7XKW
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The 3D strcuture of (-)-cyperene synthase with substrate analogue FSPP
分子名称: (-)-cyperene synthase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE
著者Yu, S.S, Zhu, P, Liu, Y.B, Ma, S.G, Ye, D, Shao, Y.Z, Li, W.R, Cui, Z.J.
登録日2022-04-20
公開日2023-10-25
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Characterization and Engineering of Two Highly Paralogous Sesquiterpene Synthases Reveal a Regioselective Reprotonation Switch.
Angew.Chem.Int.Ed.Engl., 63, 2024
4L3K
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Crystal structure of Sporosarcina pasteurii UreE bound to Ni2+ and Zn2+
分子名称: NICKEL (II) ION, Urease accessory protein UreE, ZINC ION
著者Zambelli, B, Banaszak, K, Merloni, A, Kiliszek, A, Rypniewski, W.R, Ciurli, S.
登録日2013-06-06
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Selectivity of Ni(II) and Zn(II) binding to Sporosarcina pasteurii UreE, a metallochaperone in the urease assembly: a calorimetric and crystallographic study.
J.Biol.Inorg.Chem., 18, 2013
4L0Q
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Crystal structure of S-nitrosoglutathione reductase from Arabidopsis thaliana, C370A/C373A double mutant
分子名称: Alcohol dehydrogenase class-3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, ...
著者Weichsel, A, Crotty, J, Montfort, W.R.
登録日2013-05-31
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure and kinetic behavior of alcohol dehydrogenase III/S-nitrosoglutathione reductase from Arabidopsis thaliana
To be Published
4L1Z
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Crystal structure of Cimex nitrophorin F64V mutant
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Salivary nitrophorin
著者Badgandi, H.B, Weichsel, A, Montfort, W.R.
登録日2013-06-04
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Proximal Cysteine Protonation in Cimex Nitrophorin is key to efficient NO transport and release.
To be Published
4L20
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Crystal structure of Cimex nitrophorin A21V mutant ferrous NO complex
分子名称: NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, Salivary nitrophorin
著者Badgandi, H.B, Weichsel, A, Montfort, W.R.
登録日2013-06-04
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Proximal Cysteine Protonation in Cimex Nitrophorin is key to efficient NO transport and release.
To be Published
4L21
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Crystal structure of Cimex nitrophorin F64V mutant ferrous NO complex
分子名称: NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, Salivary nitrophorin
著者Badgandi, H.B, Weichsel, A, Montfort, W.R.
登録日2013-06-04
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Proximal Cysteine Protonation in Cimex Nitrophorin is key to efficient NO transport and release.
To be Published
4L19
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Matrix metalloproteinase-13 complexed with selective inhibitor compound Q1
分子名称: 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, CALCIUM ION, Collagenase 3, ...
著者Minond, D, Spicer, T.P, Jiang, J, Taylor, A.B, Hart, P.J, Roush, W.R, Fields, G.B, Hodder, P.S.
登録日2013-06-02
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Characterization of selective exosite-binding inhibitors of matrix metalloproteinase 13 that prevent articular cartilage degradation in vitro.
J.Med.Chem., 57, 2014

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件を2024-08-21に公開中

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