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8I71
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BU of 8i71 by Molmil
Hepatitis B virus core protein Y132A mutant in complex with Linvencorvir (RG7907), a Hepatitis B Virus (HBV) Core Protein Allosteric Modulator (CpAM)
Descriptor: 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid, CHLORIDE ION, Capsid protein, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2023-01-30
Release date:2023-03-22
Last modified:2023-04-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Linvencorvir (RG7907), a Hepatitis B Virus Core Protein Allosteric Modulator, for the Treatment of Chronic HBV Infection.
J.Med.Chem., 66, 2023
5HPS
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BU of 5hps by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1 and UbV P1.1
Descriptor: Ubiquitin variant P1.1, WWP1 HECT
Authors:Wu, K.-P, Mercredi, P.Y, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5HPK
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BU of 5hpk by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: NEDD4L and UbV NL.1
Descriptor: E3 ubiquitin-protein ligase NEDD4-like, Ubiquitin variant NL.1
Authors:Wu, K.-P, Mukherjee, M, Mercredi, P.Y, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.431 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5HPT
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BU of 5hpt by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1, Ubv P2.3 and UBCH7
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP1, Ubiquitin variant P2.3, Ubiquitin-conjugating enzyme E2 L3
Authors:Wu, K.-P, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5HPL
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BU of 5hpl by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: Rsp5 and UbV R5.4
Descriptor: Rsp5, Ubiquitin variant R5.4
Authors:Wu, K.-P, Kamadurai, H.B, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5NS9
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BU of 5ns9 by Molmil
Crystal structure of the GluA2 LBD (L483Y-N754S-L758V) in complex with glutamate
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, GLUTAMIC ACID, Glutamate receptor 2,Glutamate receptor 2, ...
Authors:Eibl, C, Plested, A.J.R.
Deposit date:2017-04-25
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Unitary Properties of AMPA Receptors with Reduced Desensitization.
Biophys. J., 113, 2017
8JNJ
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BU of 8jnj by Molmil
Structure of R932A/K1147A/H1148A mutant AE2
Descriptor: Anion exchange protein 2
Authors:Yin, Y.X, Ding, D.
Deposit date:2023-06-06
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural and functional insights into the lipid regulation of human anion exchanger 2.
Nat Commun, 15, 2024
8JNI
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BU of 8jni by Molmil
Structure of AE2 in complex with PIP2
Descriptor: Anion exchange protein 2, CHLORIDE ION, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate
Authors:Yin, Y.X, Ding, D.
Deposit date:2023-06-06
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional insights into the lipid regulation of human anion exchanger 2.
Nat Commun, 15, 2024
7EQ2
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BU of 7eq2 by Molmil
Crystal structure of GDP-bound Rab1a-T75D
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, COBALT HEXAMMINE(III), ...
Authors:Cao, Y.L, Gu, D.D, Gao, S.
Deposit date:2021-04-28
Release date:2022-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55090284 Å)
Cite:Aurora kinase A-mediated phosphorylation triggers structural alteration of Rab1A to enhance ER complexity during mitosis
Nat.Struct.Mol.Biol., 2024
5KSI
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BU of 5ksi by Molmil
Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate
Descriptor: (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ...
Authors:Ahmed, M.H, Safo, M.K, Xia, Y.
Deposit date:2016-07-08
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
7D0J
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BU of 7d0j by Molmil
Photosystem I-LHCI-LHCII of Chlamydomonas reinhardtii
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Wang, W.D, Shen, L.L, Huang, Z.H, Han, G.Y, Zhang, X, Shen, J.R.
Deposit date:2020-09-10
Release date:2021-03-03
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Structure of photosystem I-LHCI-LHCII from the green alga Chlamydomonas reinhardtii in State 2.
Nat Commun, 12, 2021
6LCY
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BU of 6lcy by Molmil
Crystal structure of Synaptotagmin-7 C2B in complex with IP6
Descriptor: INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-7
Authors:Zhang, Y, Zhang, X, Rao, F, Wang, C.
Deposit date:2019-11-20
Release date:2021-03-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:5-IP 7 is a GPCR messenger mediating neural control of synaptotagmin-dependent insulin exocytosis and glucose homeostasis.
Nat Metab, 3, 2021
7D7L
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BU of 7d7l by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155
Descriptor: 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione, CAFFEINE, GLYCEROL, ...
Authors:Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
Deposit date:2020-10-04
Release date:2021-04-21
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
7D7K
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BU of 7d7k by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in apo form
Descriptor: 1,2-ETHANEDIOL, CAFFEINE, Non-structural protein 3, ...
Authors:Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
Deposit date:2020-10-04
Release date:2021-04-21
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
7DDN
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BU of 7ddn by Molmil
SARS-Cov2 S protein at open state
Descriptor: Spike glycoprotein
Authors:Cong, Y, Liu, C.X.
Deposit date:2020-10-29
Release date:2020-11-25
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DD2
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BU of 7dd2 by Molmil
S-3C1-F2 structure, two RBDs are up and one RBD is down, the two up RBD bind with a 3C1 fab.
Descriptor: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 fab
Authors:Cong, Y, Liu, C.X.
Deposit date:2020-10-27
Release date:2020-12-02
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK4
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BU of 7dk4 by Molmil
S-2H2-F3a structure, two RBDs are up and one RBD is down, each RBD binds with a 2H2 Fab.
Descriptor: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
Authors:Cong, Y, Wang, Y.F.
Deposit date:2020-11-23
Release date:2020-12-02
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DDD
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BU of 7ddd by Molmil
SARS-Cov2 S protein at close state
Descriptor: Spike glycoprotein
Authors:Cong, Y, Liu, C.X.
Deposit date:2020-10-28
Release date:2020-11-25
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK7
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BU of 7dk7 by Molmil
S-2H2-F3b structure, three RBDs are up and each RBD binds with a 2H2 Fab.
Descriptor: Spike glycoprotein, The heavy chain fragment of 2H2 Fab, The light chain fragment of 2H2 Fab
Authors:Cong, Y, Wang, Y.F.
Deposit date:2020-11-23
Release date:2020-12-02
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (9.7 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DCX
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BU of 7dcx by Molmil
S-3C1-F3a structure, two RBDs are up and one RBD is down, each RBD binds with a 3C1 fab.
Descriptor: Spike glycoprotein, The heavy chain of 3C1 fab that binds with the up RBD, The light chain of 3C1 fab
Authors:Cong, Y, Liu, C.X.
Deposit date:2020-10-27
Release date:2020-12-02
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DD8
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BU of 7dd8 by Molmil
S-3C1-F1 structure, one RBD is up and two RBDs are down, the up RBD binds with a 3C1 fab
Descriptor: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 chain
Authors:Cong, Y, Liu, C.X.
Deposit date:2020-10-28
Release date:2020-12-02
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK5
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BU of 7dk5 by Molmil
S-2H2-F1 structure, one RBD is up and two RBDs are down, only up RBD binds with a 2H2 Fab
Descriptor: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
Authors:Cong, Y, Wang, Y.F.
Deposit date:2020-11-23
Release date:2020-12-02
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (13.5 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK6
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BU of 7dk6 by Molmil
S-2H2-F2 structure, two RBDs are up and one RBD is down, each up RBD binds with a 2H2 Fab.
Descriptor: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
Authors:Cong, Y, Wang, Y.F.
Deposit date:2020-11-23
Release date:2020-12-02
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DCC
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BU of 7dcc by Molmil
S-3C1-F3b structure, all the three RBDs are in the up conformation and each of them associates with a 3C1 Fab
Descriptor: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 fab
Authors:Cong, Y, Liu, C.X.
Deposit date:2020-10-24
Release date:2020-12-02
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7CU6
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BU of 7cu6 by Molmil
lasso peptide C24 mutant - A11V2C
Descriptor: lasso peptide C24_A11V2C
Authors:Ma, M, Liu, X.H.
Deposit date:2020-08-21
Release date:2021-08-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021

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