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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
7XB0
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BU of 7xb0 by Molmil
Crystal structure of Omicron BA.2 RBD complexed with 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Li, L, Liao, H, Meng, Y, Li, W.
登録日2022-03-19
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
7CMW
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BU of 7cmw by Molmil
Complex structure of PARP1 catalytic domain with pamiparib
分子名称: (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1
著者Feng, Y.C, Peng, H, Hong, Y, Liu, Y.
登録日2020-07-29
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development.
J.Med.Chem., 63, 2020
7CWU
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BU of 7cwu by Molmil
SARS-CoV-2 spike proteins trimer in complex with P17 and FC05 Fabs cocktail
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, Spike glycoprotein, ...
著者Wang, X, Wang, N.
登録日2020-08-31
公開日2020-12-16
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
7LF6
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BU of 7lf6 by Molmil
Structure of lysosomal membrane protein
分子名称: Endosomal/lysosomal potassium channel TMEM175
著者Shen, C, Fu, T.M, Wang, L.F, Rawson, S, Wu, H.
登録日2021-01-15
公開日2022-01-26
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献pH regulates potassium conductance and drives a constitutive proton current in human TMEM175.
Sci Adv, 8, 2022
3OLD
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BU of 3old by Molmil
Crystal structure of alpha-amylase in complex with acarviostatin I03
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ...
著者Qin, X, Ren, L.
登録日2010-08-26
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes
J.Struct.Biol., 174, 2011
7CWT
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BU of 7cwt by Molmil
SARS-CoV-2 Spike protein in complex with hb27 and fc05 Fab cocktail
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab of FC05, Heavy chain Fab of HB27, ...
著者Cui, Z, Wang, X.
登録日2020-08-31
公開日2021-06-23
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
6ISM
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BU of 6ism by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 mutant
分子名称: Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-11-16
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6J0L
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BU of 6j0l by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with sulfate ion
分子名称: Butyrophilin subfamily 3 member A3, SULFATE ION
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-12-24
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
4OHD
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BU of 4ohd by Molmil
LEOPARD Syndrome-Associated SHP2/A461T mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
登録日2014-01-17
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
6J0K
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BU of 6j0k by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-12-24
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
8JYM
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BU of 8jym by Molmil
Structure of the SARS-CoV-2 XBB.1.5 spike glycoprotein (closed state 2)
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, Spike glycoprotein
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-07-03
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB.1.5 variant
To Be Published
8JYK
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BU of 8jyk by Molmil
Structure of the SARS-CoV-2 XBB.1.5 spike glycoprotein (closed state 1)
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, Spike glycoprotein
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-07-03
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB.1.5 variant
To Be Published
8JYP
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BU of 8jyp by Molmil
Structure of SARS-CoV-2 XBB.1.5 spike RBD in complex with 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, Processed angiotensin-converting enzyme 2, ...
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-07-03
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB.1.5 variant
To Be Published
8JYN
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BU of 8jyn by Molmil
Structure of SARS-CoV-2 XBB.1.5 spike glycoprotein in complex with ACE2 (1-up state)
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, Processed angiotensin-converting enzyme 2, ...
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-07-03
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB.1.5 variant
To Be Published
8JYO
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BU of 8jyo by Molmil
Structure of SARS-CoV-2 XBB.1.5 spike glycoprotein in complex with ACE2 (2-up state)
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, Processed angiotensin-converting enzyme 2, ...
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-07-03
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB.1.5 variant
To Be Published
8KFX
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BU of 8kfx by Molmil
Gi bound CCR8 complex with nonpeptide agonist LMD-009
分子名称: 8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one, C-C chemokine receptor type 8,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Jiang, S, Lin, X, Wu, L.J, Xu, F.
登録日2023-08-16
公開日2024-02-07
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8.
Sci Adv, 10, 2024
8KFZ
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BU of 8kfz by Molmil
Gi bound CCR8 in ligand free state
分子名称: C-C chemokine receptor type 8,LgBiT fusion protein,Recombinant Human Rhinovirus, 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Jiang, S, Lin, X, Wu, L.J, Xu, F.
登録日2023-08-16
公開日2024-02-07
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8.
Sci Adv, 10, 2024
6J0G
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BU of 6j0g by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-12-24
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
8KFY
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BU of 8kfy by Molmil
Gi bound CCR8 complex with nonpeptide agonist ZK 756326
分子名称: 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol, C-C chemokine receptor type 8,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Jiang, S, Lin, X, Wu, L.J, Xu, F.
登録日2023-08-16
公開日2024-02-07
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Unveiling the structural mechanisms of nonpeptide ligand recognition and activation in human chemokine receptor CCR8.
Sci Adv, 10, 2024
4OHL
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BU of 4ohl by Molmil
LEOPARD Syndrome-Associated SHP2/T468M mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
登録日2014-01-17
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
7K5V
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BU of 7k5v by Molmil
OXA-48 bound by Compound 3.1
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-09-17
公開日2021-12-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
6J06
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BU of 6j06 by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP-08
分子名称: (2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1, CALCIUM ION, ...
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-12-21
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
5GGZ
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BU of 5ggz by Molmil
Crystal structure of novel inhibitor bound with Hsp90
分子名称: Heat shock protein HSP 90-alpha, [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone
著者Chen, T.T, Li, J, Xu, Y.C.
登録日2016-06-16
公開日2017-03-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.015 Å)
主引用文献Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90
J. Med. Chem., 59, 2016
5YFE
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BU of 5yfe by Molmil
Enzymatic and structural characterization of the poly (ethylene terephthalate) hydrolase PETase from I. sakaiensis
分子名称: GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION
著者Bao, R, He, L.H, Liu, B.
登録日2017-09-21
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Protein Crystallography and Site-Direct Mutagenesis Analysis of the Poly(ethylene terephthalate) Hydrolase PETase from Ideonella sakaiensis.
Chembiochem, 2018

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