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7ELH
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BU of 7elh by Molmil
In situ structure of transcriptional enzyme complex and capsid shell protein of mammalian reovirus at initiation state
Descriptor: Lambda 1, Minor core protein mu2, PHOSPHATE ION, ...
Authors:Zhou, Z.H, Pan, M.
Deposit date:2021-04-11
Release date:2021-10-20
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Asymmetric reconstruction of mammalian reovirus reveals interactions among RNA, transcriptional factor mu2 and capsid proteins.
Nat Commun, 12, 2021
7DTD
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BU of 7dtd by Molmil
Voltage-gated sodium channel Nav1.1 and beta4
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 1 subunit alpha, ...
Authors:Yan, N, Pan, X, Li, Z, Huang, G.
Deposit date:2021-01-04
Release date:2021-04-07
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Comparative structural analysis of human Na v 1.1 and Na v 1.5 reveals mutational hotspots for sodium channelopathies.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EQB
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BU of 7eqb by Molmil
Crystal structure of the dimerization domain of ZEN-4
Descriptor: Kinesin-like protein, SULFATE ION
Authors:Chen, Z, Pan, H.
Deposit date:2021-05-01
Release date:2022-04-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Mechanistic insights into central spindle assembly mediated by the centralspindlin complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EQC
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BU of 7eqc by Molmil
Crystal structure of the mini-centralspindlin complex
Descriptor: CYtoKinesis defect, Kinesin-like protein
Authors:Chen, Z, Pan, H.
Deposit date:2021-05-01
Release date:2022-04-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic insights into central spindle assembly mediated by the centralspindlin complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
7F0C
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BU of 7f0c by Molmil
Crystal structure of capreomycin phosphotransferase in complex with CMN IIA
Descriptor: Capreomycin phosphotransferase, DPP-SER-DPP-UAL-MYN-KBE
Authors:Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I.
Deposit date:2021-06-03
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin.
Acs Chem.Biol., 17, 2022
7F0B
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BU of 7f0b by Molmil
Crystal structure of capreomycin phosphotransferase in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Capreomycin phosphotransferase
Authors:Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I.
Deposit date:2021-06-03
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin.
Acs Chem.Biol., 17, 2022
7F0A
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BU of 7f0a by Molmil
Crystal structure of capreomycin phosphotransferase
Descriptor: Capreomycin phosphotransferase
Authors:Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I.
Deposit date:2021-06-03
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin.
Acs Chem.Biol., 17, 2022
7F0F
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BU of 7f0f by Molmil
Crystal structure of capreomycin phosphotransferase in complex with CMN IIB
Descriptor: Capreomycin phosphotransferase, DPP-ALA-DPP-UAL-MYN-KBE
Authors:Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I.
Deposit date:2021-06-03
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin.
Acs Chem.Biol., 17, 2022
7XBN
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BU of 7xbn by Molmil
Crystal Structure of YC-17-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
Descriptor: 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, Cytochrome P450 monooxygenase PikC, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
Deposit date:2022-03-21
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:New mechanistic insight of cytochrome P450 PikC gained from site-specific mutagenesis by non-coding amino acids
Nat Commun, 2023
7XBM
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BU of 7xbm by Molmil
Crystal Structure of cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
Descriptor: CACODYLATE ION, Cytochrome P450 monooxygenase PikC, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
Deposit date:2022-03-21
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
Nat Commun, 2023
7XBO
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BU of 7xbo by Molmil
Crystal Structure of 10-dml-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
Descriptor: (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, Cytochrome P450 monooxygenase PikC, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
Deposit date:2022-03-21
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:New mechanistic insight of cytochrome P450 PikC gained from site-specific mutagenesis by non-coding amino acids
Nat Commun, 2023
7ULJ
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BU of 7ulj by Molmil
Hsp90b N-terminal domain in complex with 42C
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ...
Authors:Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M.
Deposit date:2022-04-05
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
7ULK
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BU of 7ulk by Molmil
Human TRAP1 NM in complex with 42C
Descriptor: CALCIUM ION, Heat shock protein 75 kDa, mitochondrial, ...
Authors:Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M.
Deposit date:2022-04-05
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
7ULL
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BU of 7ull by Molmil
Human Grp94 N-terminal domain in complex with 42C
Descriptor: DIMETHYL SULFOXIDE, Endoplasmin, GLYCEROL, ...
Authors:Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M.
Deposit date:2022-04-05
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
7L8J
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BU of 7l8j by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21212)
Descriptor: 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
Authors:Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A.
Deposit date:2020-12-31
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode.
Biochemistry, 60, 2021
7L8I
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BU of 7l8i by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21)
Descriptor: 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
Authors:Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A.
Deposit date:2020-12-31
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode.
Biochemistry, 60, 2021
7L8H
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BU of 7l8h by Molmil
EV68 3C protease (3Cpro) in Complex with Rupintrivir
Descriptor: 3C Protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
Authors:Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A.
Deposit date:2020-12-31
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode.
Biochemistry, 60, 2021
3TOE
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BU of 3toe by Molmil
Structure of Mth10b
Descriptor: DNA/RNA-binding protein Alba
Authors:Pan, X.M, Zhang, N, Liu, Y.F, Liu, X.
Deposit date:2011-09-05
Release date:2012-04-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Molecular mechanism underlying the interaction of typical Sac10b family proteins with DNA.
Plos One, 7, 2012
4F58
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BU of 4f58 by Molmil
Fab structure of a neutralizing antibody L3 from an early subtype A HIV-1 infected patient
Descriptor: Heavy chain of Fab of a neutralizing antibody L3, Light chain of Fab of a neutralizing antibody L3, SULFATE ION
Authors:Pan, R.M, Kong, X.P.
Deposit date:2012-05-12
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.488 Å)
Cite:Viral Escape from Neutralizing Antibodies in Early Subtype A HIV-1 Infection Drives an Increase in Autologous Neutralization Breadth.
Plos Pathog., 9, 2013
4F57
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BU of 4f57 by Molmil
Fab structure of a neutralizing antibody L1 from an early subtype A HIV-1 infected patient
Descriptor: GLYCEROL, Heavy chain of Fab of a neutralizing antibody L1, Light chain of Fab of a neutralizing antibody L1
Authors:Pan, R.M, Kong, X.P.
Deposit date:2012-05-12
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Viral Escape from Neutralizing Antibodies in Early Subtype A HIV-1 Infection Drives an Increase in Autologous Neutralization Breadth.
Plos Pathog., 9, 2013
4XML
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BU of 4xml by Molmil
Crystal structure of Fab of HIV-1 gp120 V3-specific human monoclonal antibody 2424
Descriptor: Heavy chain of HIV-1 gp120 V3-specific human monoclonal antibody 2424, Light chain of HIV-1 gp120 V3-specific human monoclonal antibody 2424
Authors:Pan, R, Kong, X.-P.
Deposit date:2015-01-14
Release date:2015-07-08
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Functional and Structural Characterization of Human V3-Specific Monoclonal Antibody 2424 with Neutralizing Activity against HIV-1 JRFL.
J.Virol., 89, 2015
7SN1
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BU of 7sn1 by Molmil
Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab
Descriptor: neutralizing antibody C1C-A3 Fab heavy chain, neutralizing antibody C1C-A3 Fab light chain
Authors:Pan, J, Abraham, J, Clark, S.
Deposit date:2021-10-27
Release date:2021-12-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.467 Å)
Cite:Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
7SN3
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BU of 7sn3 by Molmil
Structure of human SARS-CoV-2 spike glycoprotein trimer bound by neutralizing antibody C1C-A3 Fab (variable region)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pan, J, Abraham, J, Shankar, S.
Deposit date:2021-10-27
Release date:2021-12-08
Last modified:2022-02-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
7SN2
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BU of 7sn2 by Molmil
Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pan, J, Abraham, J, Yang, P, Shankar, S.
Deposit date:2021-10-27
Release date:2021-12-08
Last modified:2022-02-02
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
4I6H
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BU of 4i6h by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce alpha-Synuclein Phosphorylation in Rat Brain
Descriptor: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1H-imidazol-1-yl]-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
Authors:Pan, H.
Deposit date:2012-11-29
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce alpha-Synuclein Phosphorylation in Rat Brain
Chemmedchem, 8, 2013

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