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7ML7
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BU of 7ml7 by Molmil
Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection
Descriptor: Chondroitin sulfate proteoglycan 4, Toxin B, ZINC ION
Authors:Chen, P, Jin, R.
Deposit date:2021-04-27
Release date:2021-06-09
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection.
Nat Commun, 12, 2021
8BDP
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BU of 8bdp by Molmil
A GH20 family sulfoglycosidase Bt4394 in complex with NAG-thiazoline and sulfite
Descriptor: Beta-N-acetylhexosaminidase, CHLORIDE ION
Authors:Zhang, Z, He, Y, Jin, Y.
Deposit date:2022-10-19
Release date:2023-01-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 2022
2NP0
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BU of 2np0 by Molmil
Crystal structure of the Botulinum neurotoxin type B complexed with synaptotagamin-II ectodomain
Descriptor: Botulinum neurotoxin type B, CALCIUM ION, CHLORIDE ION, ...
Authors:Chai, Q, Arndt, J.W, Stevens, R.C.
Deposit date:2006-10-26
Release date:2006-12-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural basis of cell surface receptor recognition by botulinum neurotoxin B.
Nature, 444, 2006
6BYO
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BU of 6byo by Molmil
Residue assignment correction to the voltage gated calcium Cav1.1 rabbit alpha 1 subunit PDB entries 3JBR & 5GJV
Descriptor: Voltage-dependent L-type calcium channel subunit alpha-1S
Authors:Cardozo, T.J, Martinez-Ortiz, W.
Deposit date:2017-12-21
Release date:2018-05-02
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:An Improved Method for Modeling Voltage-Gated Ion Channels at Atomic Accuracy Applied to Human CavChannels.
Cell Rep, 23, 2018
6C0B
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BU of 6c0b by Molmil
Structural basis for recognition of frizzled proteins by Clostridium difficile toxin B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-2, MALONATE ION, ...
Authors:Chen, P, Lam, K, Jin, R.
Deposit date:2017-12-28
Release date:2018-05-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for recognition of frizzled proteins byClostridium difficiletoxin B.
Science, 360, 2018
4O33
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BU of 4o33 by Molmil
Crystal Structure of human PGK1 3PG and terazosin(TZN) ternary complex
Descriptor: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
Authors:Li, X.L, Finci, L.I, Wang, J.H.
Deposit date:2013-12-18
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
4O3F
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BU of 4o3f by Molmil
Crystal Structure of mouse PGK1 3PG and terazosin(TZN) ternary complex
Descriptor: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
Authors:Li, X.L, Finci, I.L, Wang, J.H.
Deposit date:2013-12-18
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
5VMR
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BU of 5vmr by Molmil
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.2110.4
Descriptor: Bot.2110.4, Botulinum neurotoxin type B
Authors:Jin, R, Lam, K, Yao, G.
Deposit date:2017-04-28
Release date:2017-09-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
5VID
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BU of 5vid by Molmil
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.0671.2
Descriptor: Bot.0671.2, Botulinum neurotoxin type B
Authors:Jin, R, Lam, K, Yao, G.
Deposit date:2017-04-15
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
5VLI
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BU of 5vli by Molmil
Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934)
Descriptor: 2,5,8,11-TETRAOXATRIDECANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bernard, S.M, Wilson, I.A.
Deposit date:2017-04-25
Release date:2017-09-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
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
7DVA
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BU of 7dva by Molmil
Structure of wild type Bt4394, a GH20 family sulfoglycosidase, in complex with 6S-GlcNAc
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, GLYCEROL
Authors:Zhang, Z, He, Y, Jin, Y.
Deposit date:2021-01-13
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
7DUP
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BU of 7dup by Molmil
Apo structure of wild type Bt4394, a GH20 family sulfoglycosidase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:Zhang, Z, He, Y, Jin, Y.
Deposit date:2021-01-10
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
7DVB
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BU of 7dvb by Molmil
D335N variant of Bt4394 in complex with 6SO3-NAG-oxazoline intermediate
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, [(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate
Authors:Zhang, Z, He, Y, Jin, Y.
Deposit date:2021-01-13
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
8J6K
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BU of 8j6k by Molmil
Crystal structure of pro-interleukin-18 and caspase-4 complex
Descriptor: Arginine ADP-riboxanase OspC3, Caspase-4 subunit p10, Caspase-4 subunit p20, ...
Authors:Sun, Q, Hou, Y.J, Ding, J.
Deposit date:2023-04-26
Release date:2023-11-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Recognition and maturation of IL-18 by caspase-4 noncanonical inflammasome.
Nature, 624, 2023
7YR5
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BU of 7yr5 by Molmil
Embigin facilitates monocarboxylate transporter 1 localization to plasma membrane and transition to a decoupling state
Descriptor: Embigin, Monocarboxylate transporter 1
Authors:Xu, B, Ye, S.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Embigin facilitates monocarboxylate transporter 1 localization to the plasma membrane and transition to a decoupling state.
Cell Rep, 40, 2022
7W8O
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BU of 7w8o by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp2-a
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8K
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BU of 7w8k by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp1
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8R
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BU of 7w8r by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp2-b
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W96
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BU of 7w96 by Molmil
Solution structures of a disulfide-rich peptide that can bind KEAP1
Descriptor: drp6
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-09
Release date:2022-11-09
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7WE3
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BU of 7we3 by Molmil
Solution structures of a disulfide-rich peptide that can bind CD28
Descriptor: DRP8II
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-22
Release date:2022-11-09
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7WEI
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BU of 7wei by Molmil
Solution structures of a disulfide-rich peptide that can bind CD28
Descriptor: drp8I
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-23
Release date:2022-11-09
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8Z
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BU of 7w8z by Molmil
Solution structures of a disulfide-rich peptide designed through sequence grafting
Descriptor: drp4
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-09
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8T
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BU of 7w8t by Molmil
Solution structures of a disulfide-rich peptide that can bind KEAP1
Descriptor: DRP3
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
6T8D
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BU of 6t8d by Molmil
The cytotoxin MakB from Vibrio cholerae
Descriptor: MakB, SULFATE ION
Authors:Persson, K, Nagampalli, R.
Deposit date:2019-10-24
Release date:2020-11-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A tripartite cytolytic toxin formed by Vibrio cholerae proteins with flagellum-facilitated secretion.
Proc.Natl.Acad.Sci.USA, 118, 2021

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