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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
4MQV
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BU of 4mqv by Molmil
Crystal complex of Rpa32c and Smarcal1 N-terminus
分子名称: Replication protein A 32 kDa subunit, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A-like protein 1
著者Xie, S, Qian, C.M.
登録日2013-09-16
公開日2014-07-02
最終更新日2014-12-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of RPA32 bound to the N-terminus of SMARCAL1 redefines the binding interface between RPA32 and its interacting proteins
Febs J., 281, 2014
5YB1
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BU of 5yb1 by Molmil
Structure and function of human serum albumin-metal agent complex
分子名称: PALMITIC ACID, Serum albumin, ~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine
著者Yang, F, Wang, T, Wang, J, Gou, Y, Zhang, Z.L.
登録日2017-09-02
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.616 Å)
主引用文献Developing an Anticancer Copper(II) Multitarget Pro-Drug Based on the His146 Residue in the IB Subdomain of Modified Human Serum Albumin.
Mol. Pharm., 15, 2018
4MQ1
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BU of 4mq1 by Molmil
The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ...
著者Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L.
登録日2013-09-15
公開日2013-12-11
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4MQ2
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BU of 4mq2 by Molmil
The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PENTAETHYLENE GLYCOL, SULFATE ION, ...
著者Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L.
登録日2013-09-15
公開日2013-12-11
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
3V4V
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BU of 3v4v by Molmil
crystal structure of a4b7 headpiece complexed with Fab ACT-1 and RO0505376
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Yu, Y, Zhu, J, Springer, T.A.
登録日2011-12-15
公開日2012-01-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural specializations of a4b7, an Integrin that Mediates Rolling Adhesion
J.Cell Biol., 196, 2012
3V4P
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BU of 3v4p by Molmil
crystal structure of a4b7 headpiece complexed with Fab ACT-1
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Yu, Y, Zhu, J, Springer, T.A.
登録日2011-12-15
公開日2012-01-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural specializations of a4b7, an Integrin that Mediates Rolling Adhesion
J.Cell Biol., 196, 2012
7W1S
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BU of 7w1s by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-007
分子名称: Nanobody Nb-007, Spike protein S1
著者Yang, J, Lin, S, Sun, H.L, Lu, G.W.
登録日2021-11-20
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献A Potent Neutralizing Nanobody Targeting the Spike Receptor-Binding Domain of SARS-CoV-2 and the Structural Basis of Its Intimate Binding.
Front Immunol, 13, 2022
6K10
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BU of 6k10 by Molmil
Non substrate bound state of Staphylococcus Aureus AldH
分子名称: 1,2-ETHANEDIOL, Aldehyde dehydrogenase
著者Zhang, Z, Tao, X.
登録日2019-05-08
公開日2020-05-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.78962183 Å)
主引用文献Structural Insight into the Substrate Gating Mechanism by Staphylococcus aureus Aldehyde Dehydrogenase
CCS Chemistry, 2, 2020
6K0Z
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BU of 6k0z by Molmil
Substrate bound state of Staphylococcus Aureus AldH
分子名称: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GLYCEROL
著者Zhang, Z, Tao, X.
登録日2019-05-08
公開日2020-05-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4967258 Å)
主引用文献Structural Insight into the Substrate Gating Mechanism by Staphylococcus aureus Aldehyde Dehydrogenase
CCS Chemistry, 2, 2020
2NWM
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BU of 2nwm by Molmil
Solution structure of the first SH3 domain of human Vinexin and its interaction with the peptides from Vinculin
分子名称: Vinexin
著者Zhang, J, Yao, B, Wu, J, Shi, Y.
登録日2006-11-15
公開日2007-04-24
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the first SH3 domain of human vinexin and its interaction with vinculin peptides
Biochem.Biophys.Res.Commun., 357, 2007
2QN1
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BU of 2qn1 by Molmil
Glycogen Phosphorylase b in complex with asiatic acid
分子名称: Glycogen phosphorylase, muscle form, asiatic acid
著者Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G.
登録日2007-07-17
公開日2008-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
2QN2
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BU of 2qn2 by Molmil
Glycogen Phosphorylase b in complex with Maslinic Acid
分子名称: Glycogen phosphorylase, muscle form, maslinic acid
著者Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G.
登録日2007-07-17
公開日2008-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
7WWM
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BU of 7wwm by Molmil
S protein of Delta variant in complex with ZWC6
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Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-13
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
7WWL
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BU of 7wwl by Molmil
S protein of Delta variant in complex with ZWD12
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Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-13
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
7CCG
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BU of 7ccg by Molmil
Crystal structure of ClA1, a kind of a chlorinase from soil bacteria
分子名称: 5'-CHLORO-5'-DEOXYADENOSINE, DNA-directed RNA polymerase subunit delta, METHIONINE
著者Ouyang, Z, Li, Y.
登録日2020-06-17
公開日2020-09-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of ClA1, a type of chlorinase from soil bacteria.
Biochem.Biophys.Res.Commun., 530, 2020
7C8J
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BU of 7c8j by Molmil
Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2
分子名称: Angiotensin-converting enzyme, SARS-CoV-2 Receptor binding domain, ZINC ION
著者Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F.
登録日2020-06-01
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021
7C8K
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BU of 7c8k by Molmil
Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat 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, ...
著者Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F.
登録日2020-06-02
公開日2021-01-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021
7VXG
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BU of 7vxg by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TK-453
分子名称: 6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Li, T.H, Guo, H.T, Ji, X.Y.
登録日2021-11-12
公開日2022-03-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献SHP2 allosteric inhibitor TK-453 alleviates psoriasis-like skin inflammation in mice via inhibition of IL-23/Th17 axis.
Iscience, 25, 2022
7E1T
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BU of 7e1t by Molmil
Crystal structure of Rab9A-GTP-Nde1
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Isoform 2 of Nuclear distribution protein nudE homolog 1, MAGNESIUM ION, ...
著者Zhang, Y, Zhang, T, Ding, J.
登録日2021-02-03
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Nde1 is a Rab9 effector for loading late endosomes to cytoplasmic dynein motor complex.
Structure, 30, 2022
8GTP
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BU of 8gtp by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with XGv289
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Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
登録日2022-09-08
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
8GTO
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BU of 8gto by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with XGv282
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Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
登録日2022-09-08
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
8GTQ
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BU of 8gtq by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with S2L20
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
登録日2022-09-08
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
7F38
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BU of 7f38 by Molmil
Cyanophage A-1(L) capsid asymmetric unit
分子名称: Putative major capsid protein
著者Cui, N, Li, Q, Zhou, C.Z.
登録日2021-06-15
公開日2021-09-29
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Capsid Structure of Anabaena Cyanophage A-1(L).
J.Virol., 95, 2021
8H3V
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BU of 8h3v by Molmil
Cryo-EM structure of the full transcription activation complex NtcA-NtcB-TAC
分子名称: DNA (125-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Han, S.J, Jiang, Y.L, You, L.L, Shen, L.Q, Wu, X.X, Yang, F, Kong, W.W, Chen, Z.P, Zhang, Y, Zhou, C.Z.
登録日2022-10-09
公開日2023-10-04
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献DNA looping mediates cooperative transcription activation.
Nat.Struct.Mol.Biol., 31, 2024

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