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5SRV
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BU of 5srv by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562533 - (R,R) isomer
Descriptor: (3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SRU
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BU of 5sru by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562523 - (S) isomer
Descriptor: (8S)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SRT
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BU of 5srt by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562791 - (R) isomer
Descriptor: 7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SSA
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BU of 5ssa by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINClv000001jcNa - (r,r) isomer
Descriptor: Non-structural protein 3, [(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SSQ
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BU of 5ssq by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5459166291
Descriptor: 3-{[(1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
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
1I92
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BU of 1i92 by Molmil
STRUCTURAL BASIS OF THE NHERF PDZ1-CFTR INTERACTION
Descriptor: CHLORIDE ION, NA+/H+ EXCHANGE REGULATORY CO-FACTOR
Authors:Karthikeyan, S, Leung, T, Ladias, J.A.A.
Deposit date:2001-03-16
Release date:2001-06-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of the Na+/H+ exchanger regulatory factor PDZ1 interaction with the carboxyl-terminal region of the cystic fibrosis transmembrane conductance regulator.
J.Biol.Chem., 276, 2001
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
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
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
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
4XGY
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BU of 4xgy by Molmil
GFP based antibody (fluorobody)
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Green fluorescent protein, mAb LCDR3
Authors:Shi, N, Chen, Y.G, Wang, S.H.
Deposit date:2015-01-03
Release date:2015-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:The structure of a GFP-based antibody (fluorobody) to TLH, a toxin from Vibrio parahaemolyticus.
Acta Crystallogr.,Sect.F, 71, 2015
2DCV
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BU of 2dcv by Molmil
The solution structure of horseshoe crab antimicrobial peptide tachystatin b with the inhibitory cystine-knot motif
Descriptor: Tachystatin-B1
Authors:Fujitani, N, Kohno, T.
Deposit date:2006-01-16
Release date:2007-01-23
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:The solution structure of horseshoe crab antimicrobial peptide tachystatin B with an inhibitory cystine-knot motif
J.Pept.Sci., 13, 2007
5UFI
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BU of 5ufi by Molmil
DCN1 bound to DI-591
Descriptor: DCN1-like protein 1, N-[(1S)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
Authors:Stuckey, J.
Deposit date:2017-01-04
Release date:2017-11-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:A potent small-molecule inhibitor of the DCN1-UBC12 interaction that selectively blocks cullin 3 neddylation.
Nat Commun, 8, 2017
6URM
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BU of 6urm by Molmil
Crystal structure of vaccine-elicited receptor-binding site targeting antibody LPAF-a.01 in complex with Hemagglutinin H1 A/California/04/2009
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zhou, T, Cheung, S.F, Kwong, P.D.
Deposit date:2019-10-23
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Identification and Structure of a Multidonor Class of Head-Directed Influenza-Neutralizing Antibodies Reveal the Mechanism for Its Recurrent Elicitation.
Cell Rep, 32, 2020
7NAM
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BU of 7nam by Molmil
LRP6_E1 in complex with Lr-EET-3.5
Descriptor: Low-density lipoprotein receptor-related protein 6, SODIUM ION, Trypsin inhibitor 2, ...
Authors:Hansen, S, Hannoush, R.N.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Directed evolution identifies high-affinity cystine-knot peptide agonists and antagonists of Wnt/ beta-catenin signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
7QK0
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BU of 7qk0 by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 12a
Descriptor: (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ...
Authors:Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2021-12-17
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo .
J.Med.Chem., 65, 2022
6VAA
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BU of 6vaa by Molmil
Structure of the Fanconi Anemia ID complex bound to ICL DNA
Descriptor: DNA (26-MER), DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ...
Authors:Pavletich, N.P.
Deposit date:2019-12-17
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:DNA clamp function of the monoubiquitinated Fanconi anaemia ID complex.
Nature, 580, 2020
7TCQ
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BU of 7tcq by Molmil
Crystal structure of SARS-CoV-2 neutralizing antibody WS6 in complex with spike S2 peptide
Descriptor: Anti-SARS-CoV-2 antibody WS6 Fab heavy chain, Anti-SARS-CoV-2 antibody WS6 Fab light chain, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2021-12-28
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Vaccine-elicited murine antibody WS6 neutralizes diverse beta-coronaviruses by recognizing a helical stem supersite of vulnerability.
Structure, 30, 2022
6VAF
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BU of 6vaf by Molmil
Structure of mono-ubiquitinated FANCD2 bound to non-ubiquitinated FANCI and to DNA
Descriptor: DNA (29-MER), Fanconi anemia group D2 protein, Fanconi anemia, ...
Authors:Pavletich, N.P.
Deposit date:2019-12-17
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:DNA clamp function of the monoubiquitinated Fanconi anaemia ID complex.
Nature, 580, 2020

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PDB entries from 2024-08-14

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