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6MO4
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BU of 6mo4 by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50067 complex
Descriptor: MAGNESIUM ION, N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase
Authors:Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R.
Deposit date:2018-10-04
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
6MOD
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BU of 6mod by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50432 complex
Descriptor: GLYCEROL, MAGNESIUM ION, N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, ...
Authors:Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R.
Deposit date:2018-10-04
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
8ETP
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BU of 8etp by Molmil
Cryo-EM structure of cGMP bound closed state of human CNGA3/CNGB3 channel in GDN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ...
Authors:Hu, Z, Zheng, X, Yang, J.
Deposit date:2022-10-17
Release date:2023-08-02
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat Commun, 14, 2023
8EV9
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BU of 8ev9 by Molmil
Cryo-EM structure of cGMP bound truncated human CNGA3/CNGB3 channel in lipid nanodisc, transition state 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ...
Authors:Hu, Z, Yang, J.
Deposit date:2022-10-20
Release date:2023-08-09
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat Commun, 14, 2023
8EVC
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BU of 8evc by Molmil
Cryo-EM structure of cGMP bound truncated human CNGA3/CNGB3 channel in lipid nanodisc, open state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ...
Authors:Hu, Z, Yang, J.
Deposit date:2022-10-20
Release date:2023-08-09
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat Commun, 14, 2023
8EV8
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BU of 8ev8 by Molmil
Cryo-EM structure of cGMP bound truncated human CNGA3/CNGB3 channel in lipid nanodisc, closed state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ...
Authors:Hu, Z, Yang, J.
Deposit date:2022-10-20
Release date:2023-08-09
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat Commun, 14, 2023
8ERC
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BU of 8erc by Molmil
Human Membrane-bound O-acyltransferase 7
Descriptor: Lysophospholipid acyltransferase 7
Authors:Wang, K, Liao, M, Farese, R.V, Walther, T.C.
Deposit date:2022-10-11
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The structure of phosphatidylinositol remodeling MBOAT7 reveals its catalytic mechanism and enables inhibitor identification.
Nat Commun, 14, 2023
8ELI
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BU of 8eli by Molmil
Broadly neutralizing antibody VRC34-combo.1 in complex with HIV fusion peptide (residue 512-519)
Descriptor: Fusion peptide, VRC34-combo.1 Fab Heavy chain, VRC34-combo.1 Fab Light chain
Authors:Xu, K, Kwong, P.D.
Deposit date:2022-09-24
Release date:2023-09-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Antibody-directed evolution reveals a mechanism for enhanced neutralization at the HIV-1 fusion peptide site.
Nat Commun, 14, 2023
8EUW
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BU of 8euw by Molmil
Cryo-EM structure of HIV-1 BG505 DS-SOSIP ENV trimer bound to VRC34.01-MM28 FAB
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 gp120, ...
Authors:Pletnev, S, Kwong, P.
Deposit date:2022-10-19
Release date:2023-09-27
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Antibody-directed evolution reveals a mechanism for enhanced neutralization at the HIV-1 fusion peptide site.
Nat Commun, 14, 2023
8EUV
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BU of 8euv by Molmil
Cryo-EM structure of HIV-1 BG505 DS-SOSIP ENV trimer bound to VRC34.01-COMBO1 FAB
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 gp120, ...
Authors:Pletnev, S, Kwong, P.
Deposit date:2022-10-19
Release date:2023-09-27
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Antibody-directed evolution reveals a mechanism for enhanced neutralization at the HIV-1 fusion peptide site.
Nat Commun, 14, 2023
8EUU
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BU of 8euu by Molmil
Cryo-EM structure of HIV-1 BG505 DS-SOSIP ENV trimer bound to VRC34.01 FAB
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 gp120, ...
Authors:Pletnev, S, Kwong, P.
Deposit date:2022-10-19
Release date:2023-09-27
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Antibody-directed evolution reveals a mechanism for enhanced neutralization at the HIV-1 fusion peptide site.
Nat Commun, 14, 2023
8F5I
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BU of 8f5i by Molmil
SARS-CoV-2 S2 helix epitope scaffold bound by antibody DH1057.1
Descriptor: DH1057.1 HC, DH1057.1 LC, Specialized acyl carrier protein, ...
Authors:Kapingidza, A.B, Wrapp, D, Winters, K, Azoitei, M.L.
Deposit date:2022-11-14
Release date:2023-10-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineered immunogens to elicit antibodies against conserved coronavirus epitopes.
Nat Commun, 14, 2023
8F5H
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BU of 8f5h by Molmil
SARS-CoV-2 S2 helix epitope scaffold
Descriptor: S2hlx_EX_19
Authors:Kapingidza, A.B, Wrapp, D, Winters, K, Azoitei, M.L.
Deposit date:2022-11-14
Release date:2023-10-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Engineered immunogens to elicit antibodies against conserved coronavirus epitopes.
Nat Commun, 14, 2023
6G2S
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BU of 6g2s by Molmil
Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside
Descriptor: (2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin
Authors:Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B.
Deposit date:2018-03-23
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
6N47
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BU of 6n47 by Molmil
The structure of SB-2-204-tubulin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:Arnst, K, Banerjee, S, Wang, Y, Li, W, Miller, D, Li, W.
Deposit date:2018-11-17
Release date:2019-11-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray Crystal Structure Guided Discovery and Antitumor Efficacy of Dihydroquinoxalinone as Potent Tubulin Polymerization Inhibitors.
Acs Chem.Biol., 14, 2019
8EI9
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BU of 8ei9 by Molmil
Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H332, a Helicon Polypeptide
Descriptor: Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H332, ...
Authors:Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI8
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BU of 8ei8 by Molmil
Crystal structure of the WWP2 HECT domain in complex with H308, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, H308, N,N'-(1,4-phenylene)diacetamide, ...
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI1
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BU of 8ei1 by Molmil
Crystal structure of the N-terminal domain of CUL4B in complex with H316, a Helicon Polypeptide
Descriptor: Cullin-4B, H316, N,N'-(1,4-phenylene)diacetamide
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI7
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BU of 8ei7 by Molmil
Crystal structure of the WWP2 HECT domain in complex with H304, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EI2
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BU of 8ei2 by Molmil
Crystal structure of the N-terminal domain of CUL5 in complex with H314, a Helicon Polypeptide
Descriptor: Cullin-5, H314, N,N'-(1,4-phenylene)diacetamide
Authors:Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EIC
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BU of 8eic by Molmil
Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H330, a Helicon Polypeptide
Descriptor: Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H330, ...
Authors:Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8EIB
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BU of 8eib by Molmil
Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H329, a Helicon Polypeptide
Descriptor: Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H329, ...
Authors:Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.76 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
8ETQ
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BU of 8etq by Molmil
Designed pentafoil knot protein folded into a trefoil knot
Descriptor: k-cTRP5
Authors:Doyle, L.A, Kibler, R.D, Bradley, P, Stoddard, B.L.
Deposit date:2022-10-17
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
3SQ9
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BU of 3sq9 by Molmil
Crystal Structures of the Ligand Binding Domain of a Pentameric Alpha7 Nicotinic Receptor Chimera
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuronal acetylcholine receptor subunit alpha-7, ...
Authors:Li, S.-X, Huang, S, Bren, N, Noridomi, K, Dellisanti, C, Sine, S, Chen, L.
Deposit date:2011-07-05
Release date:2011-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Ligand-binding domain of an alpha 7-nicotinic receptor chimera and its complex with agonist.
Nat.Neurosci., 14, 2011
8EHZ
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BU of 8ehz by Molmil
Crystal structure of the STUB1 TPR domain in complex with H317, a Helicon Polypeptide
Descriptor: E3 ubiquitin-protein ligase CHIP, H317, N,N'-(1,4-phenylene)diacetamide
Authors:Li, K, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
Deposit date:2022-09-14
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023

223532

건을2024-08-07부터공개중

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