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3SGT
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BU of 3sgt by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299
分子名称: 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid, Undecaprenyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2011-06-15
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
7C96
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BU of 7c96 by Molmil
Avr1d:GmPUB13 U-box
分子名称: RING-type E3 ubiquitin transferase, RxLR effector protein Avh6
著者Xing, W, Hu, Q, Zhou, J, Yao, D.
登録日2020-06-05
公開日2021-03-17
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Phytophthora sojae effector Avr1d functions as an E2 competitor and inhibits ubiquitination activity of GmPUB13 to facilitate infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
5VOU
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BU of 5vou by Molmil
Structure of AMPA receptor-TARP complex
分子名称: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
著者Chen, S, Zhao, Y, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E.
登録日2017-05-03
公開日2017-07-12
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (6.4 Å)
主引用文献Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
7DR6
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BU of 7dr6 by Molmil
PA28alpha-beta in complex with immunoproteasome
分子名称: Proteasome activator complex subunit 1, Proteasome activator complex subunit 2, Proteasome subunit alpha type-1, ...
著者Cong, Y, Xu, C.
登録日2020-12-26
公開日2021-01-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM of mammalian PA28 alpha beta-iCP immunoproteasome reveals a distinct mechanism of proteasome activation by PA28 alpha beta.
Nat Commun, 12, 2021
5VOT
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BU of 5vot by Molmil
Structure of AMPA receptor-TARP complex
分子名称: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
著者Chen, S, Zhao, Y, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E.
登録日2017-05-03
公開日2017-07-12
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
2L89
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BU of 2l89 by Molmil
Solution structure of Pdp1 PWWP domain reveals its unique binding sites for methylated H4K20 and DNA
分子名称: PWWP domain-containing protein 1
著者Qiu, Y, Zhang, J, Zhang, W.
登録日2011-01-07
公開日2011-12-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of Pdp1 PWWP domain reveals its unique binding sites for methylated H4K20 and DNA
Biochem.J., 2011
5VOV
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BU of 5vov by Molmil
Structure of AMPA receptor-TARP complex
分子名称: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
著者Zhao, Y, Chen, S, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E.
登録日2017-05-03
公開日2017-07-12
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (7.7 Å)
主引用文献Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
3SH0
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BU of 3sh0 by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1065
分子名称: 2-(dodecyloxy)-6-hydroxybenzoic acid, Undecaprenyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2011-06-15
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
8UPV
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BU of 8upv by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 33
分子名称: 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
登録日2023-10-23
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UPW
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BU of 8upw by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 34
分子名称: 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
登録日2023-10-23
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8WNG
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BU of 8wng by Molmil
Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile
分子名称: ACETATE ION, GLYCEROL, ISOLEUCINE, ...
著者Guo, Y, Li, S, Zhang, T.
登録日2023-10-05
公開日2024-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
8FR6
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BU of 8fr6 by Molmil
Antibody vFP53.02 in complex with HIV-1 envelope trimer BG505 DS-SOSIP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
著者Wang, S, Kwong, P.D.
登録日2023-01-06
公開日2023-04-19
最終更新日2023-06-07
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8UPS
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BU of 8ups by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 5
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION
著者Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J.
登録日2023-10-23
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8WNF
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BU of 8wnf by Molmil
Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in apo form
分子名称: ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ...
著者Guo, Y, Li, S, Zhang, T.
登録日2023-10-05
公開日2024-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
8WNI
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BU of 8wni by Molmil
Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Val
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
著者Guo, Y, Li, S, Zhang, T.
登録日2023-10-06
公開日2024-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
8WNJ
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BU of 8wnj by Molmil
Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile-AMP
分子名称: ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ...
著者Guo, Y, Li, S, Zhang, T.
登録日2023-10-06
公開日2024-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
8UTE
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BU of 8ute by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 27
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
登録日2023-10-31
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
6V2S
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BU of 6v2s by Molmil
Crystal Structure of chromodomain of MPP8 in complex with inhibitor UNC3866
分子名称: M-phase phosphoprotein 8, UNC3866, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2019-11-25
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
6SKB
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BU of 6skb by Molmil
Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK3496783A
分子名称: 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, ...
著者Thorpe, J.H.
登録日2019-08-15
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
6SEJ
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BU of 6sej by Molmil
Structure of a functional monomeric properdin lacking TSR3
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, Properdin, alpha-D-mannopyranose, ...
著者Pedersen, D.V, Andersen, G.R.
登録日2019-07-30
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.501 Å)
主引用文献Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
6V2R
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BU of 6v2r by Molmil
Crystal Structure of chromodomain of CBX7 mutant V13A in complex with inhibitor UNC3866
分子名称: Chromobox protein homolog 7, UNC3866, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2019-11-25
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
6SKD
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BU of 6skd by Molmil
Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK3397892A
分子名称: 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide, GLYCEROL, Kallikrein-6, ...
著者Thorpe, J.H.
登録日2019-08-15
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
6V2D
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BU of 6v2d by Molmil
Crystal Structure of chromodomain of CDYL2 in complex with inhibitor UNC3866
分子名称: Chromodomain Y-like protein 2, UNC3866, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2019-11-22
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
5CH8
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BU of 5ch8 by Molmil
Crystal structure of MDLA N225Q mutant form Penicillium cyclopium
分子名称: CHLORIDE ION, GLYCEROL, Mono- and diacylglycerol lipase, ...
著者Xu, J, Xu, H, Hou, S, Liu, J.
登録日2015-07-10
公開日2016-04-20
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Lipase-Driven Epoxidation Is A Two-Stage Synergistic Process
ChemistrySelect, 4, 2016
5C6D
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BU of 5c6d by Molmil
Crystal structure of USP7 in complex with UHRF1
分子名称: E3 ubiquitin-protein ligase UHRF1, Ubiquitin carboxyl-terminal hydrolase 7
著者Zhang, Z.-M, Song, J.
登録日2015-06-22
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献An Allosteric Interaction Links USP7 to Deubiquitination and Chromatin Targeting of UHRF1.
Cell Rep, 12, 2015

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