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6W5R
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BU of 6w5r by Molmil
NPC1 structure in Nanodisc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Yan, N, Qian, H.W, Wu, X.L.
Deposit date:2020-03-13
Release date:2020-06-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2.
Cell, 182, 2020
6W5T
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BU of 6w5t by Molmil
NPC1 structure in GDN micelles at pH 5.5, conformation a
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Yan, N, Qian, H.W, Wu, X.L.
Deposit date:2020-03-13
Release date:2020-06-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2.
Cell, 182, 2020
5Z8S
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BU of 5z8s by Molmil
Human Mitochondrial ferritin mutant - C102A/C130A/E27C/E61C/E62C
Descriptor: Ferritin, mitochondrial, GOLD ION
Authors:Zang, J, Zheng, B, Zhao, G.
Deposit date:2018-02-01
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Design and site-directed compartmentalization of gold nanoclusters within the intrasubunit interfaces of ferritin nanocage.
J Nanobiotechnology, 17, 2019
5Z91
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BU of 5z91 by Molmil
Human mitochondrial ferritin mutant bound with gold ions
Descriptor: Ferritin, mitochondrial, GOLD ION, ...
Authors:Zang, J, Zheng, B, Zhao, G.
Deposit date:2018-02-01
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:Design and site-directed compartmentalization of gold nanoclusters within the intrasubunit interfaces of ferritin nanocage.
J Nanobiotechnology, 17, 2019
5Z8J
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BU of 5z8j by Molmil
Human mitochondrial ferritin mutant - E27C/E62C/C102G/C130G
Descriptor: Ferritin, mitochondrial, GOLD ION
Authors:Zang, J, Zheng, B, Zhao, G.
Deposit date:2018-01-31
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and site-directed compartmentalization of gold nanoclusters within the intrasubunit interfaces of ferritin nanocage.
J Nanobiotechnology, 17, 2019
4ERE
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BU of 4ere by Molmil
crystal structure of MDM2 (17-111) in complex with compound 23
Descriptor: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
6W5U
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BU of 6w5u by Molmil
NPC1 structure in GDN micelles at pH 5.5, conformation b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Yan, N, Qian, H.W, Wu, X.L.
Deposit date:2020-03-13
Release date:2020-06-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2.
Cell, 182, 2020
7XXJ
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BU of 7xxj by Molmil
Echo 18 incubated with FcRn at pH5.5
Descriptor: PALMITIC ACID, VP1, VP2, ...
Authors:Liu, C.C, Qu, X.
Deposit date:2022-05-30
Release date:2022-06-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Human FcRn Is a Two-in-One Attachment-Uncoating Receptor for Echovirus 18.
Mbio, 13, 2022
7XXA
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BU of 7xxa by Molmil
Complex of Echo 18 and FcRn at pH7.4
Descriptor: IgG receptor FcRn large subunit p51, VP1, VP2, ...
Authors:Liu, C.C, Qu, X.
Deposit date:2022-05-29
Release date:2022-06-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Human FcRn Is a Two-in-One Attachment-Uncoating Receptor for Echovirus 18.
Mbio, 13, 2022
7XXG
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BU of 7xxg by Molmil
Echo 18 at pH5.5
Descriptor: PALMITIC ACID, VP1, VP2, ...
Authors:Liu, C.C, Qu, X.
Deposit date:2022-05-30
Release date:2022-06-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Human FcRn Is a Two-in-One Attachment-Uncoating Receptor for Echovirus 18.
Mbio, 13, 2022
5JNX
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BU of 5jnx by Molmil
The 6.6 A cryo-EM structure of the full-length human NPC1 in complex with the cleaved glycoprotein of Ebola virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ...
Authors:Gong, X, Qian, H.W, Zhou, X.H, Wu, J.P, Wan, T, Shi, Y, Gao, F, Zhou, Q, Yan, N.
Deposit date:2016-05-01
Release date:2016-06-15
Last modified:2020-08-05
Method:ELECTRON MICROSCOPY (6.56 Å)
Cite:Structural Insights into the Niemann-Pick C1 (NPC1)-Mediated Cholesterol Transfer and Ebola Infection
Cell, 165, 2016
6W5V
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BU of 6w5v by Molmil
NPC1-NPC2 complex structure at pH 5.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Yan, N, Qian, H.W, Wu, X.L.
Deposit date:2020-03-13
Release date:2020-06-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2.
Cell, 182, 2020
5Z8U
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BU of 5z8u by Molmil
Human mitochondrial ferritin mutant - C102A/C130A
Descriptor: Ferritin, mitochondrial, MAGNESIUM ION
Authors:Zang, J, Zheng, B, Zhao, G.
Deposit date:2018-02-01
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and site-directed compartmentalization of gold nanoclusters within the intrasubunit interfaces of ferritin nanocage.
J Nanobiotechnology, 17, 2019
7X4I
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BU of 7x4i by Molmil
Crystal structure of nanobody aSA3 in complex with dimer SARS-CoV-1 RBD
Descriptor: Spike glycoprotein, nanobody aSA3
Authors:Ma, H, Zeng, W.H, Jin, T.C.
Deposit date:2022-03-02
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:A bispecific nanobody dimer broadly neutralizes SARS-CoV-1 & 2 variants of concern and offers substantial protection against Omicron via low-dose intranasal administration.
Cell Discov, 8, 2022
6DQB
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BU of 6dqb by Molmil
LINKED KDM5A JMJ DOMAIN FORMING COVALENT BOND TO INHIBITOR N71 i.e. 2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
Descriptor: 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
7WRH
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BU of 7wrh by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2
Descriptor: 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, ...
Authors:Han, P, Xie, Y, Qi, J.
Deposit date:2022-01-26
Release date:2023-02-01
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
6DQ8
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BU of 6dq8 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ6
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BU of 6dq6 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N44 i.e. 3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQF
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BU of 6dqf by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N68 i.e. 2-(1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)thieno[3,2-b]pyridine-7-carboxylic acid
Descriptor: 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid, Linked KDM5A Jmj Domain, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.688 Å)
Cite:To be determined
To Be Published
6DQA
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BU of 6dqa by Molmil
Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
Descriptor: 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQC
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BU of 6dqc by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N50 i.e. 2-(4-((2-(dimethylamino)ethyl)(ethyl)carbamoyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:To be determined
To Be Published
6DQ7
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BU of 6dq7 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE POTENTIAL HYDROLYSIS PRODUCT OF INHIBITOR N45 i.e. 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Structure-based Engineering of Reversible Covalent Inhibitors Against Histone Lysine Demethylase 5A
To Be Published
7YLM
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BU of 7ylm by Molmil
Cryo-EM structure of 8-subunit Smc5/6 hinge region
Descriptor: MMS21 isoform 1, SMC6 isoform 1, Structural maintenance of chromosomes protein 5
Authors:Qian, L, Jun, Z, Xiang, Z, Wang, Z, Tong, C, Duo, J, Zhenguo, C, Wang, L.
Deposit date:2022-07-26
Release date:2024-01-31
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (6.17 Å)
Cite:Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
1OO3
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BU of 1oo3 by Molmil
P395S mutant of the p85 regulatory subunit of the N-terminal src homology 2 domain of PI3-Kinase
Descriptor: Phosphatidylinositol 3-kinase regulatory alpha subunit
Authors:Guenther, U.L, Weyrauch, B, Schaffhausen, B.
Deposit date:2003-03-03
Release date:2003-03-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance structure of the P395S mutant of the N-SH2 domain of the p85 subunit of PI3 kinase: an SH2 domain with altered specificity
Biochemistry, 42, 2003
8SBD
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BU of 8sbd by Molmil
Cryo-EM structure of insulin amyloid-like fibril that is composed of two antiparallel protofilaments
Descriptor: Insulin A chain, Insulin B chain
Authors:Wang, L.W, Hall, C, Uchikawa, E, Chen, D.L, Choi, E, Zhang, X.W, Bai, X.C.
Deposit date:2023-04-03
Release date:2023-08-30
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of insulin fibrillation.
Sci Adv, 9, 2023

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數據於2024-07-17公開中

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