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3SHY
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BU of 3shy by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
著者Chen, T.T, Chen, T, Xu, Y.C.
登録日2011-06-17
公開日2011-08-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.647 Å)
主引用文献Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
7BXF
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BU of 7bxf by Molmil
MvcA-Lpg2149 complex
分子名称: Lpg2149, MvcA, PRASEODYMIUM ION
著者Gao, P.
登録日2020-04-19
公開日2020-05-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors.
Nat Commun, 11, 2020
7KN3
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BU of 7kn3 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, S-B8 Fab heavy chain, ...
著者Liu, H, Zhu, X, Wilson, I.A.
登録日2020-11-04
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
7KN4
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BU of 7kn4 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-E6 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S-E6 Fab heavy chain, S-E6 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2020-11-04
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
5E06
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BU of 5e06 by Molmil
Structure of Sin Nombre virus nucleoprotein in long-axis crystal form
分子名称: Nucleocapsid protein
著者Guo, Y, Wang, W.M, Lou, Z.Y.
登録日2015-09-28
公開日2015-12-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Crystal Structure of the Core Region of Hantavirus Nucleocapsid Protein Reveals the Mechanism for Ribonucleoprotein Complex Formation
J.Virol., 90, 2015
3SIE
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BU of 3sie by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase
著者Chen, T.T, Chen, T, Xu, Y.C.
登録日2011-06-17
公開日2011-08-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
5OFL
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BU of 5ofl by Molmil
Crystal structure of CbXyn10C variant E140Q/E248Q complexed with cellohexaose
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Glycoside hydrolase family 48, SULFATE ION, ...
著者Hakulinen, N, Penttinen, L, Rouvinen, J.
登録日2017-07-11
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.871 Å)
主引用文献Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose.
J. Biol. Chem., 292, 2017
5OFK
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BU of 5ofk by Molmil
Crystal structure of CbXyn10C variant E140Q/E248Q complexed with xyloheptaose
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Glycoside hydrolase family 48, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ...
著者Hakulinen, N, Penttinen, L, Rouvinen, J, Tu, T.
登録日2017-07-11
公開日2017-10-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose.
J. Biol. Chem., 292, 2017
5OFJ
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BU of 5ofj by Molmil
Crystal structure of N-terminal domain of bifunctional CbXyn10C
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, Glycoside hydrolase family 48
著者Hakulinen, N, Penttinen, L, Rouvinen, J.
登録日2017-07-11
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose.
J. Biol. Chem., 292, 2017
7SEL
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BU of 7sel by Molmil
E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3)
分子名称: (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase
著者Payandeh, J, Koth, C.M, Verma, V.A.
登録日2021-09-30
公開日2022-03-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.978 Å)
主引用文献Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity.
J.Med.Chem., 65, 2022
8DKC
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BU of 8dkc by Molmil
P. gingivalis RNA Polymerase
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Liu, B, Bu, F.
登録日2022-07-05
公開日2023-06-21
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM Structure of Porphyromonas gingivalis RNA Polymerase.
J.Mol.Biol., 436, 2024
4TTH
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BU of 4tth by Molmil
Crystal structure of a CDK6/Vcyclin complex with inhibitor bound
分子名称: 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6
著者Piper, D.E, Walker, N, Wang, Z.
登録日2014-06-20
公開日2014-08-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
3AJM
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BU of 3ajm by Molmil
Crystal structure of programmed cell death 10 in complex with inositol 1,3,4,5-tetrakisphosphate
分子名称: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Programmed cell death protein 10
著者Ding, J, Wang, D.C.
登録日2010-06-09
公開日2010-06-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human programmed cell death 10 complexed with inositol-(1,3,4,5)-tetrakisphosphate: a novel adaptor protein involved in human cerebral cavernous malformation.
Biochem.Biophys.Res.Commun., 399, 2010
6A50
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BU of 6a50 by Molmil
structure of benzoylformate decarboxylases in complex with cofactor TPP
分子名称: MAGNESIUM ION, THIAMINE DIPHOSPHATE, benzoylformate decarboxylases
著者Guo, Y, Wang, S, Nie, Y, Li, S.
登録日2018-06-21
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Synthetic Pathway for Acetyl-Coenzyme A Biosynthesis
Nat Commun, 2019
6M6I
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BU of 6m6i by Molmil
Structure of HSV2 B-capsid portal vertex
分子名称: Coiled coils chain 1, Coiled coils chain 2, Major capsid protein, ...
著者Wang, X.X, Wang, N.
登録日2020-03-14
公開日2021-03-10
実験手法ELECTRON MICROSCOPY (4.05 Å)
主引用文献Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020
6M6H
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BU of 6m6h by Molmil
Structure of HSV2 C-capsid portal vertex
分子名称: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
著者Wang, X.X, Wang, N.
登録日2020-03-14
公開日2021-03-24
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020
6M6G
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BU of 6m6g by Molmil
Structure of HSV2 viron capsid portal vertex
分子名称: Capsid vertex component 1, Capsid vertex component 2, Coiled coils, ...
著者Wang, X.X, Wang, N.
登録日2020-03-14
公開日2021-03-24
実験手法ELECTRON MICROSCOPY (5.39 Å)
主引用文献Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020
2KLJ
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BU of 2klj by Molmil
Solution Structure of gammaD-Crystallin with RDC and SAXS
分子名称: Gamma-crystallin D
著者Wang, J, Zuo, X, Yu, P, Byeon, I, Jung, J, Gronenborn, A.M, Wang, Y.
登録日2009-07-06
公開日2009-10-06
最終更新日2024-05-22
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Determination of multicomponent protein structures in solution using global orientation and shape restraints.
J.Am.Chem.Soc., 131, 2009
2KLM
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BU of 2klm by Molmil
Solution Structure of L11 with SAXS and RDC
分子名称: 50S ribosomal protein L11
著者Wang, J, Zuo, X, Yu, P, Schwieters, C.D, Wang, Y.
登録日2009-07-06
公開日2009-10-06
最終更新日2024-05-22
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Determination of multicomponent protein structures in solution using global orientation and shape restraints.
J.Am.Chem.Soc., 131, 2009
4TVZ
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BU of 4tvz by Molmil
Crystal Structure of SCARB2 in Neural Condition (pH7.5)
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, Scavenger receptor class B member 2, ...
著者Dang, M.H, Wang, X.X, Rao, Z.H.
登録日2014-06-29
公開日2015-07-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.006 Å)
主引用文献Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71
Protein Cell, 5, 2014
5ZZ8
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BU of 5zz8 by Molmil
Structure of the Herpes simplex virus type 2 C-capsid with capsid-vertex-specific component
分子名称: Major capsid protein, UL17, UL25, ...
著者Wang, J.L, Yuan, S, Zhu, D.J, Tang, H, Wang, N, Chen, W.Y, Gao, Q, Li, Y.H, Wang, J.Z, Liu, H.R, Zhang, X.Z, Rao, Z.H, Wang, X.X.
登録日2018-05-31
公開日2018-10-10
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Structure of the herpes simplex virus type 2 C-capsid with capsid-vertex-specific component.
Nat Commun, 9, 2018
7XYT
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BU of 7xyt by Molmil
Crystal structure of ZER1 bound to AFLH degron
分子名称: Protein zer-1 homolog
著者Dong, C, Yan, X, Li, Y.
登録日2022-06-02
公開日2022-12-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献CRL2 ZER1/ZYG11B recognizes small N-terminal residues for degradation.
Nat Commun, 13, 2022
6IVE
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BU of 6ive by Molmil
Molecular structure of a thermostable and a Zinc ion binding gamma-class carbonic anhydrase
分子名称: Ferripyochelin-binding protein, PHOSPHATE ION, ZINC ION
著者Wang, W.M, Wang, H.F.
登録日2018-12-03
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular structure of thermostable and zinc-ion-binding gamma-class carbonic anhydrases.
Biometals, 32, 2019
4LN0
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BU of 4ln0 by Molmil
Crystal structure of the VGLL4-TEAD4 complex
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Transcription cofactor vestigial-like protein 4, ...
著者Wang, H, Shi, Z, Zhou, Z.
登録日2013-07-11
公開日2014-02-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.896 Å)
主引用文献A Peptide Mimicking VGLL4 Function Acts as a YAP Antagonist Therapy against Gastric Cancer.
Cancer Cell, 25, 2014
3A9U
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BU of 3a9u by Molmil
Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate--CoA ligase
分子名称: 4-coumarate--CoA ligase
著者Hu, Y.
登録日2009-11-06
公開日2010-09-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of a Populus tomentosa 4-coumarate:CoA ligase shed light on its enzymatic mechanisms
Plant Cell, 22, 2010

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