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6J1P
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BU of 6j1p by Molmil
Crystal structure of Candida Antarctica Lipase B mutant - SR
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Cen, Y.X, Zhou, J.H, Wu, Q.
登録日2018-12-29
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.759 Å)
主引用文献Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters.
J.Am.Chem.Soc., 141, 2019
6IEC
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BU of 6iec by Molmil
Structure of RVFV Gn and human monoclonal antibody R17
分子名称: NSmGnGc, R17 H chain, R17 L chain
著者Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
登録日2018-09-13
公開日2019-04-10
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
6KFW
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BU of 6kfw by Molmil
The cytochrome P450 enzyme CxnD for C-S bond formation in chuangxinmycin biosynthesis
分子名称: (2R)-3-(1H-indol-3-yl)-2-methylsulfanyl-propanoic acid, CxnD, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hong, B.
登録日2019-07-09
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Cytochrome P450 Catalyzing C-S Bond Formation in S-Heterocyclization of Chuangxinmycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
4RDD
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BU of 4rdd by Molmil
Co-crystal structure of SHP2 in complex with a Cefsulodin derivative
分子名称: 1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Tyrosine-protein phosphatase non-receptor type 11
著者Zhang, Z.Y, Yu, Z.H, He, R, Zhang, R.Y.
登録日2014-09-18
公開日2015-07-01
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Exploring the Existing Drug Space for Novel pTyr Mimetic and SHP2 Inhibitors.
ACS Med Chem Lett, 6, 2015
4ZWG
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BU of 4zwg by Molmil
Crystal structure of the GTP-dATP-bound catalytic core of SAMHD1 phosphomimetic T592E mutant
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Tang, C, Ji, X, Xiong, Y.
登録日2015-05-19
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Impaired dNTPase Activity of SAMHD1 by Phosphomimetic Mutation of Thr-592.
J.Biol.Chem., 290, 2015
7WD1
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BU of 7wd1 by Molmil
Crystal structure of R14 bound to SARS-CoV-2 RBD
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, R14, Spike protein S1, ...
著者Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L.
登録日2021-12-20
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
7WD2
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BU of 7wd2 by Molmil
Crystal structure of S43 bound to SARS-CoV-2 RBD
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L.
登録日2021-12-20
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
4ZWE
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BU of 4zwe by Molmil
Crystal structure of the dGTP-bound catalytic core of SAMHD1 T592V mutant
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION
著者Tang, C, Ji, X, Xiong, Y.
登録日2015-05-19
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Impaired dNTPase Activity of SAMHD1 by Phosphomimetic Mutation of Thr-592.
J.Biol.Chem., 290, 2015
7Y3O
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BU of 7y3o by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with human antibody BIOLS56
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of BIOLS56, Light chain of BIOLS56, ...
著者Rao, X, Gao, F, Wu, Y, Gao, F.
登録日2022-06-11
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
7Y3N
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BU of 7y3n by Molmil
Crystal structure of SARS-CoV receptor binding domain in complex with human antibody BIOLS56
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of BIOLS56, ...
著者Rao, X, Chai, Y, Wu, Y, Gao, F.
登録日2022-06-11
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4DNC
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BU of 4dnc by Molmil
Crystal structure of human MOF in complex with MSL1
分子名称: Histone acetyltransferase KAT8, Male-specific lethal 1 homolog, ZINC ION
著者Huang, J, Lei, M.
登録日2012-02-08
公開日2012-07-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insight into the regulation of MOF in the male-specific lethal complex and the non-specific lethal complex.
Cell Res., 22, 2012
7DRV
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BU of 7drv by Molmil
Structural basis of SARS-CoV-2-closely-related bat coronavirus RaTG13 to hACE2
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, K.F, Pan, X.Q, Li, L.J, Feng, Y, Meng, Y.M, Zhang, Y.F, Wu, L.L, Chen, Q, Zheng, A.Q, Song, C.L, Jia, Y.F, Niu, S, Qiao, C.P, Zhao, X, Ma, D.L, Ma, X.P, Tan, S.G, Qi, J.X, Gao, G.F, Wang, Q.H.
登録日2020-12-29
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Binding and molecular basis of the bat coronavirus RaTG13 virus to ACE2 in humans and other species.
Cell, 184, 2021
7DGE
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BU of 7dge by Molmil
intermediate state of class C GPCR
分子名称: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Metabotropic glutamate receptor 1, nanobody
著者Zhang, J.Y, Wu, L.J, Luo, F, Hua, T, Liu, Z.J.
登録日2020-11-11
公開日2021-09-22
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Structural insights into the activation initiation of full-length mGlu1.
Protein Cell, 12, 2021
7DGD
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BU of 7dgd by Molmil
apo state of class C GPCR
分子名称: Metabotropic glutamate receptor 1
著者Zhang, J.Y, Wu, L.J, Luo, F, Hua, T, Liu, Z.J.
登録日2020-11-11
公開日2021-09-22
実験手法ELECTRON MICROSCOPY (3.96 Å)
主引用文献Structural insights into the activation initiation of full-length mGlu1.
Protein Cell, 12, 2021
3D9C
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BU of 3d9c by Molmil
Crystal Structure PTP1B complex with aryl Seleninic acid
分子名称: (4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid, Tyrosine-protein phosphatase non-receptor type 1
著者Abdo, M, Liu, S, Zhou, B, Walls, C.D, Knapp, S, Zhang, Z.-Y.
登録日2008-05-27
公開日2008-09-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Seleninate in place of phosphate: irreversible inhibition of protein tyrosine phosphatases.
J.Am.Chem.Soc., 130, 2008
3EAX
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BU of 3eax by Molmil
Crystal structure PTP1B complex with small molecule compound LZP-6
分子名称: 4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}, Tyrosine-protein phosphatase non-receptor type 1
著者Zhang, Z.-Y, Liu, S, Zhang, L.-F, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q.
登録日2008-08-26
公開日2009-07-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors.
J.Am.Chem.Soc., 130, 2008
4GQJ
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BU of 4gqj by Molmil
Complex of a binuclear Ruthenium compound D,D-([mu-(11,11')-bi(dppz)-(1,10-phenanthroline)4-Ru2]4+) bound to d(CGTACG)
分子名称: (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3')
著者Boer, D.R, Coll, M.
登録日2012-08-23
公開日2014-03-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.951 Å)
主引用文献Thread Insertion of a Bis(dipyridophenazine) Diruthenium Complex into the DNA Double Helix by the Extrusion of AT Base Pairs and Cross-Linking of DNA Duplexes.
Angew.Chem.Int.Ed.Engl., 53, 2014
7EAX
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BU of 7eax by Molmil
Crystal complex of p53-V272M and antimony ion
分子名称: ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION
著者Lu, M, Tang, Y.
登録日2021-03-08
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations.
Cell Rep, 39, 2022
1VGU
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BU of 1vgu by Molmil
Crystal structure of 4-diphosphocytidyl-2C-methyl-D-erythritol synthase
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
著者Structural GenomiX
登録日2003-11-03
公開日2003-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1VH0
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BU of 1vh0 by Molmil
Crystal structure of a hypothetical protein
分子名称: Hypothetical UPF0247 protein SAV0024/SA0023
著者Structural GenomiX
登録日2003-11-03
公開日2003-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1VHL
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BU of 1vhl by Molmil
Crystal structure of dephospho-CoA kinase with adenosine-5'-diphosphate
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Dephospho-CoA kinase
著者Structural GenomiX
登録日2003-12-01
公開日2003-12-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1VI1
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BU of 1vi1 by Molmil
Crystal structure of a fatty acid/phospholipid synthesis protein
分子名称: Fatty acid/phospholipid synthesis protein plsX
著者Structural GenomiX
登録日2003-12-01
公開日2003-12-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1VGV
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BU of 1vgv by Molmil
Crystal structure of UDP-N-acetylglucosamine_2 epimerase
分子名称: UDP-N-acetylglucosamine 2-epimerase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Structural GenomiX
登録日2003-11-03
公開日2003-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1VIX
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BU of 1vix by Molmil
Crystal structure of a putative peptidase T
分子名称: Peptidase T, SULFATE ION, ZINC ION
著者Structural GenomiX
登録日2003-12-01
公開日2003-12-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
7XX4
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BU of 7xx4 by Molmil
designed glycosyltransferase
分子名称: Oleandomycin glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Lu, M, Wu, X.
登録日2022-05-28
公開日2023-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Design of a chimeric glycosyltransferase OleD for the site-specific O-monoglycosylation of 3-hydroxypyridine in nosiheptide.
Microb Biotechnol, 16, 2023

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