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3UDW
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BU of 3udw by Molmil
Crystal structure of the immunoreceptor TIGIT in complex with Poliovirus receptor (PVR/CD155/necl-5) D1 domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor, T cell immunoreceptor with Ig and ITIM domains
著者Rouge, L, Stengel, K.F, Yin, J.P, Bazan, F.J, Wiesmann, C.
登録日2011-10-28
公開日2012-03-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献Structure of TIGIT immunoreceptor bound to poliovirus receptor reveals a cell-cell adhesion and signaling mechanism that requires cis-trans receptor clustering.
Proc.Natl.Acad.Sci.USA, 109, 2012
5JR9
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BU of 5jr9 by Molmil
Crystal structure of apo-NeC3PO
分子名称: NEQ131
著者Zhang, J, Gan, J.
登録日2016-05-06
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
3LGD
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BU of 3lgd by Molmil
Crystal structure of human adenosine deaminase growth factor, adenosine deaminase type 2 (ADA2)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Adenosine deaminase CECR1, ...
著者Zavialov, A.V.
登録日2010-01-20
公開日2010-02-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the growth factor activity of human adenosine deaminase ADA2.
J.Biol.Chem., 285, 2010
3LGG
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BU of 3lgg by Molmil
Crystal structure of human adenosine deaminase growth factor, adenosine deaminase type 2 (ADA2) complexed with transition state analogue, coformycin
分子名称: (8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Adenosine deaminase CECR1, ...
著者Zavialov, A.V.
登録日2010-01-20
公開日2010-02-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for the growth factor activity of human adenosine deaminase ADA2.
J.Biol.Chem., 285, 2010
5IJ8
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BU of 5ij8 by Molmil
Structure of the primary oncogenic mutant Y641N Hs/AcPRC2 in complex with a pyridone inhibitor
分子名称: 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of Zeste Homolog 2 (EZH2),Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Deng, Y.-L, Liu, W.
登録日2016-03-01
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance.
Nat Commun, 7, 2016
5YAD
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BU of 5yad by Molmil
Crystal structure of Marf1 Lotus domain from Mus musculus
分子名称: GLYCEROL, Meiosis regulator and mRNA stability factor 1, SULFATE ION
著者Yao, Q.Q, Wu, B.X, Ma, J.B.
登録日2017-08-31
公開日2018-10-03
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Ribonuclease activity of MARF1 controls oocyte RNA homeostasis and genome integrity in mice.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YAA
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BU of 5yaa by Molmil
Crystal structure of Marf1 NYN domain from Mus musculus
分子名称: GLYCEROL, Meiosis regulator and mRNA stability factor 1
著者Yao, Q.Q, Wu, B.X, Ma, J.B.
登録日2017-08-31
公開日2018-10-03
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Ribonuclease activity of MARF1 controls oocyte RNA homeostasis and genome integrity in mice.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5JRC
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BU of 5jrc by Molmil
Crystal structure of NeC3PO in complex with ssRNA.
分子名称: CALCIUM ION, NEQ131, ssRNA
著者Zhang, J, Gan, J.
登録日2016-05-06
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
5YBI
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BU of 5ybi by Molmil
Structure of the bacterial pathogens ATPase with substrate AMPPNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable ATP synthase SpaL/MxiB, ...
著者Mu, Z.X, Gao, X.P, Cui, S.
登録日2017-09-05
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.268 Å)
主引用文献Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri.
Front Microbiol, 9, 2018
6M1S
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BU of 6m1s by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o
分子名称: 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ...
著者Xu, Z.H, Zhou, Z.
登録日2020-02-26
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.254 Å)
主引用文献Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
8HD8
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BU of 8hd8 by Molmil
Crystal structure of TMPRSS2 in complex with 212-148
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ...
著者Wang, H, Liu, X, Sun, L, Yang, H.
登録日2022-11-03
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
6M1J
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BU of 6m1j by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x
分子名称: 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ...
著者Xu, Z.H, Zhou, Z.
登録日2020-02-26
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
5JRE
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BU of 5jre by Molmil
Crystal structure of NeC3PO in complex with ssDNA.
分子名称: 9-METHYL-9H-PURIN-6-AMINE, ADENINE, NEQ131, ...
著者Gan, J, Zhang, J.
登録日2016-05-06
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
7XCZ
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BU of 7xcz by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7054 and BA7125 fab (local refinement)
分子名称: BA7054 fab, BA7125 fab, Spike glycoprotein
著者Liu, Z, Liu, S.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDA
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BU of 7xda by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7208 and BA7125 fab (local refinement)
分子名称: BA7125 fab, BA7208 fab, Spike glycoprotein
著者Liu, Z, Liu, S, Liu, S.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDK
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BU of 7xdk by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 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, BA7054 fab, ...
著者Liu, Z, Lui, S, Gao, Y.
登録日2022-03-27
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDB
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BU of 7xdb by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 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, BA7208 fab, ...
著者Liu, Z, Liu, S, Gao, Y.Z.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDL
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BU of 7xdl by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 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, BA7125 fab, ...
著者Liu, Z, Liu, S, Yuanzhu, G.
登録日2022-03-27
公開日2023-03-15
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
8HEI
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BU of 8hei by Molmil
Crystal structure of CTSB in complex with E64d
分子名称: Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
著者Wang, H, Li, D, Sun, L, Yang, H.
登録日2022-11-08
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HET
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BU of 8het by Molmil
Crystal structure of CTSL in complex with E64d
分子名称: Procathepsin L, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
著者Wang, H, Shao, M, Sun, L, Yang, H.
登録日2022-11-08
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HE9
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BU of 8he9 by Molmil
Crystal structure of CTSB in complex with K777
分子名称: Cathepsin B, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Wang, H, Li, D, Sun, L, Yang, H.
登録日2022-11-07
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HFV
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BU of 8hfv by Molmil
Crystal structure of CTSL in complex with K777
分子名称: CACODYLATE ION, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, Procathepsin L, ...
著者Wang, H, Shao, M, Sun, L, Yang, H.
登録日2022-11-12
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HEN
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BU of 8hen by Molmil
Crystal structure of CTSB in complex with 212-148
分子名称: 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ...
著者Wang, H, Li, D, Sun, L, Yang, H.
登録日2022-11-08
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
2MB9
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BU of 2mb9 by Molmil
Human Bcl10 CARD
分子名称: B-cell lymphoma/leukemia 10
著者Zheng, C, Bracken, C, Wu, H.
登録日2013-07-26
公開日2013-10-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Architecture of the CARMA1/Bcl10/MALT1 Signalosome: Nucleation-Induced Filamentous Assembly.
Mol.Cell, 51, 2013
4HJI
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BU of 4hji by Molmil
Structure of the CooA pilin subunit from enterotoxigenic Escherichia coli
分子名称: CS1 fimbrial subunit A, IMIDAZOLE, SODIUM ION
著者Kolappan, S, Zong, Z, Craig, L.
登録日2012-10-12
公開日2012-12-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Structure of the CS1 Pilus of Enterotoxigenic Escherichia coli Reveals Structural Polymorphism.
J.Bacteriol., 195, 2013

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