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5HDU
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BU of 5hdu by Molmil
BACE-1 incomplex with (7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 3-{5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
4BCP
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BU of 4bcp by Molmil
Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor
分子名称: 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
著者Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M.
登録日2012-10-02
公開日2013-04-17
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
5HDV
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BU of 5hdv by Molmil
BACE-1 incomplex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
3KZE
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BU of 3kze by Molmil
Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ in Complex With SSRKEYYA Peptide
分子名称: Synthetic Peptide, T-lymphoma invasion and metastasis-inducing protein 1
著者Shepherd, T.R, Fuentes, E.J.
登録日2009-12-08
公開日2010-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Tiam1 PDZ domain couples to Syndecan1 and promotes cell-matrix adhesion.
J.Mol.Biol., 398, 2010
5HE5
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BU of 5he5 by Molmil
BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
3L9I
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BU of 3l9i by Molmil
Myosin VI nucleotide-free (mdinsert2) L310G mutant crystal structure
分子名称: ACETATE ION, CALCIUM ION, Calmodulin, ...
著者Pylypenko, O, Song, L, Sweeney, L.H, Houdusse, A.
登録日2010-01-05
公開日2010-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Role of insert i of myosin VI in modulating nucleotide affinity
To be Published
4Y2A
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BU of 4y2a by Molmil
Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor
分子名称: 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ...
著者Vives-Adrian, L, Ferrer-Orta, C, Verdaguer, N.
登録日2015-02-09
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
4Y2K
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BU of 4y2k by Molmil
reduced form of apo-GolB
分子名称: Putative metal-binding transport protein
著者Wei, W, Wang, F, Ma, L, Zhao, J.
登録日2015-02-10
公開日2016-02-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
4Y2I
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BU of 4y2i by Molmil
Gold ion bound to GolB
分子名称: GOLD ION, Putative metal-binding transport protein
著者Wei, W, Wang, F, Ma, L, Zhao, J.
登録日2015-02-10
公開日2016-02-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
7TMW
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BU of 7tmw by Molmil
Cryo-EM structure of the relaxin receptor RXFP1 in complex with heterotrimeric Gs
分子名称: Camelid antibody VHH fragment Nb35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Erlandson, S.C, Rawson, S, Kruse, A.C.
登録日2022-01-20
公開日2023-02-15
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The relaxin receptor RXFP1 signals through a mechanism of autoinhibition.
Nat.Chem.Biol., 19, 2023
4Y34
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BU of 4y34 by Molmil
Crystal Structure of Coxsackievirus B3 3D polymerase in complex with GPC-N143
分子名称: 2,2'-[(4-fluorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ...
著者Vives-Adrian, L, Ferrer-Orta, C, Cerdaguer, N.
登録日2015-02-10
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
4Y3C
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BU of 4y3c by Molmil
I304V 3D polymerase mutant of EMCV
分子名称: 3D polymerase, CHLORIDE ION, GLYCEROL
著者Verdaguer, N, Ferrer-Orta, C, Vives-Adrian, L.
登録日2015-02-10
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
4Y2C
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BU of 4y2c by Molmil
M300V 3D polymerase mutant of EMCV
分子名称: GLYCEROL, Genome polyprotein
著者Verdaguer, N, Ferrer-Orta, C, Vives-Adrian, L.
登録日2015-02-09
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
7YE9
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BU of 7ye9 by Molmil
SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs
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, Heavy chain of R1-32 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
登録日2022-07-05
公開日2022-08-24
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (4.17 Å)
主引用文献SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
7CCF
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BU of 7ccf by Molmil
Mechanism insights on steroselective oxidation of phosphorylated ethylphenols with cytochrome P450 CreJ
分子名称: (3-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Dong, S, Du, L, Li, S.Y, Feng, Y.G.
登録日2020-06-17
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for Selective Oxidation of Phosphorylated Ethylphenols by Cytochrome P450 Monooxygenase CreJ.
Appl.Environ.Microbiol., 87, 2021
5Y9F
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BU of 5y9f by Molmil
Crystal structure of HPV59 pentamer in complex with the Fab fragment of antibody 28F10
分子名称: Major capsid protein L1, heavy chain of Fab fragment of antibody 28F10, light chains of Fab fragment of antibody 28F10
著者Li, S.W, Li, Z.H.
登録日2017-08-24
公開日2017-10-25
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Crystal Structures of Two Immune Complexes Identify Determinants for Viral Infectivity and Type-Specific Neutralization of Human Papillomavirus.
MBio, 8, 2017
5YF1
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BU of 5yf1 by Molmil
Crystal structure of CARNMT1 bound to carnosine and SFG
分子名称: (2~{S})-2-(3-azanylpropanoylamino)-3-(1~{H}-imidazol-4-yl)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Cao, R, Li, H.
登録日2017-09-20
公開日2018-08-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Molecular basis for histidine N1 position-specific methylation by CARNMT1.
Cell Res., 28, 2018
7YDY
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BU of 7ydy by Molmil
SARS-CoV-2 Spike (6P) in complex with 1 R1-32 Fab
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, Heavy chain of R1-32 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
登録日2022-07-04
公開日2022-08-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (4.75 Å)
主引用文献SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
7YEG
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BU of 7yeg by Molmil
SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2
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, Angiotensin-converting enzyme 2, ...
著者Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
登録日2022-07-05
公開日2022-08-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
7YDI
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BU of 7ydi by Molmil
SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2, focused refinement of RBD region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32, Light chain of R1-32, ...
著者Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
登録日2022-07-04
公開日2022-08-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
5Y9C
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BU of 5y9c by Molmil
Crystal structure of HPV58 pentamer in complex with the Fab fragment of antibody A12A3
分子名称: Major capsid protein L1, heavy chain of Fab fragment of antibody A12A3, light chain of Fab fragment of antibody A12A3
著者Li, S.W, Li, Z.H.
登録日2017-08-24
公開日2017-10-25
実験手法X-RAY DIFFRACTION (3.443 Å)
主引用文献Crystal Structures of Two Immune Complexes Identify Determinants for Viral Infectivity and Type-Specific Neutralization of Human Papillomavirus.
MBio, 8, 2017
5Y9E
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BU of 5y9e by Molmil
Crystal structure of HPV58 pentamer
分子名称: GLYCEROL, MAGNESIUM ION, Major capsid protein L1
著者Li, S.W, Li, Z.H.
登録日2017-08-24
公開日2017-10-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.042 Å)
主引用文献Crystal Structures of Two Immune Complexes Identify Determinants for Viral Infectivity and Type-Specific Neutralization of Human Papillomavirus.
MBio, 8, 2017
7YE5
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BU of 7ye5 by Molmil
SARS-CoV-2 Spike (6P) in complex with 2 R1-32 Fabs
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, Heavy chain of R1-32 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
登録日2022-07-05
公開日2022-08-24
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (6.75 Å)
主引用文献SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
5YF2
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BU of 5yf2 by Molmil
Crystal structure of CARNMT1 bound to anserine and SAH
分子名称: (2~{S})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid, CALCIUM ION, Carnosine N-methyltransferase, ...
著者Cao, R, Li, H.
登録日2017-09-20
公開日2018-08-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Molecular basis for histidine N1 position-specific methylation by CARNMT1.
Cell Res., 28, 2018
5UTT
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BU of 5utt by Molmil
SrtA sortase from Actinomyces oris
分子名称: CHLORIDE ION, Sortase
著者Osipiuk, J, Ma, X, Ton-That, H, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-02-15
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cell-to-cell interaction requires optimal positioning of a pilus tip adhesin modulated by gram-positive transpeptidase enzymes.
Proc.Natl.Acad.Sci.USA, 116, 2019

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