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8VEN
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BU of 8ven by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041 in complex with cefoperazone
Descriptor: (2R,4R)-2-[(1R)-1-{[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methylidene-1,3-thiazinane-4-carboxylic acid, Probable peptidoglycan D,D-transpeptidase PenA
Authors:Stratton, C, Bala, S, Davies, C.
Deposit date:2023-12-20
Release date:2024-03-20
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ureidopenicillins Are Potent Inhibitors of Penicillin-Binding Protein 2 from Multidrug-Resistant Neisseria gonorrhoeae H041.
Acs Infect Dis., 10, 2024
8VEM
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BU of 8vem by Molmil
IsPETase - ACCE mutant
Descriptor: Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
Deposit date:2023-12-19
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.711 Å)
Cite:Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
8VEL
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BU of 8vel by Molmil
IsPETase - ACCCC mutant
Descriptor: Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
Deposit date:2023-12-19
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.624 Å)
Cite:Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
8VEK
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BU of 8vek by Molmil
IsPETase - ACC mutant
Descriptor: GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
Deposit date:2023-12-19
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
8VEJ
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BU of 8vej by Molmil
De novo designed cholic acid binder: CHD_buttress
Descriptor: CHD_buttress, CHOLIC ACID
Authors:Bera, A.K, Tran, L, Kang, A, Baker, D.
Deposit date:2023-12-19
Release date:2024-07-17
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Binding and sensing diverse small molecules using shape complementary pseudocycles
To Be Published
8VEI
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BU of 8vei by Molmil
De novo designed colic acid binder CHD_r1
Descriptor: CHD_r1
Authors:Bera, A.K, An, L, Baker, D.
Deposit date:2023-12-19
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Binding and sensing diverse small molecules using shape complementary pseudocycles
To Be Published
8VEH
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BU of 8veh by Molmil
Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Rickettsia bellii
Descriptor: CHLORIDE ION, GLYCINE, Outer membrane lipoprotein-sorting protein LolA, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-12-19
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Rickettsia bellii
To be published
8VEC
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BU of 8vec by Molmil
Deep Mutational Scanning of SARS-CoV-2 PLpro
Descriptor: Papain-like protease nsp3, ZINC ION
Authors:Wu, X, Nguyen, J.V, Call, M.E, Call, M.J.
Deposit date:2023-12-18
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutational Profiling of SARS-CoV-2 PLpro in human cells reveals requirements for function, structure, and drug escape
Biorxiv, 2024
8VE9
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BU of 8ve9 by Molmil
IsPETase - ACCCETN mutant - CombiPETase
Descriptor: CHLORIDE ION, GLYCEROL, Poly(ethylene terephthalate) hydrolase
Authors:Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
Deposit date:2023-12-18
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
8VE7
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BU of 8ve7 by Molmil
A DARPin displayed on a designed tetrahedral protein scaffold
Descriptor: DARPin protein scaffold
Authors:Suder, D.S, Gonen, S.
Deposit date:2023-12-18
Release date:2024-06-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Mitigating the Blurring Effect of CryoEM Averaging on a Flexible and Highly Symmetric Protein Complex through Sub-Particle Reconstruction.
Int J Mol Sci, 25, 2024
8VE6
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BU of 8ve6 by Molmil
(Biarylamine-FT2-WT)1(C10A)3-human transthyretin in the frayed conformation
Descriptor: 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID, Transthyretin
Authors:Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C.
Deposit date:2023-12-18
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
8VE5
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BU of 8ve5 by Molmil
(Biarylamine-FT2-WT)1(C10A)3-human transthyretin in the compressed conformation
Descriptor: 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID, Transthyretin
Authors:Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C.
Deposit date:2023-12-18
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
8VE4
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BU of 8ve4 by Molmil
Unliganded human transthyretin in the frayed conformation
Descriptor: Transthyretin
Authors:Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C.
Deposit date:2023-12-18
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
8VE3
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BU of 8ve3 by Molmil
Unliganded human transthyretin in the compressed conformation
Descriptor: Transthyretin
Authors:Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C.
Deposit date:2023-12-18
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
8VE2
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BU of 8ve2 by Molmil
Unliganded human transthyretin in the canonical conformation
Descriptor: Transthyretin
Authors:Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C.
Deposit date:2023-12-18
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
8VE1
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BU of 8ve1 by Molmil
Human transthyretin covalently modified with A2-derived stilbene in the canonical conformation
Descriptor: 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid, Transthyretin
Authors:Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C.
Deposit date:2023-12-18
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
8VE0
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BU of 8ve0 by Molmil
Human transthyretin covalently modified with A2-derived stilbene in the compressed conformation
Descriptor: 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid, Transthyretin
Authors:Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C.
Deposit date:2023-12-18
Release date:2024-01-31
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
8VDZ
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BU of 8vdz by Molmil
A designed tetrahedral protein scaffold - DARP14
Descriptor: Subunit A, Subunit B
Authors:Suder, D.S, Gonen, S.
Deposit date:2023-12-18
Release date:2024-06-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Mitigating the Blurring Effect of CryoEM Averaging on a Flexible and Highly Symmetric Protein Complex through Sub-Particle Reconstruction.
Int J Mol Sci, 25, 2024
8VDY
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BU of 8vdy by Molmil
Crystal Structure of Delta 114-117 D-Dopachrome Tautomerase (D-DT)
Descriptor: D-dopachrome decarboxylase
Authors:Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G.
Deposit date:2023-12-18
Release date:2024-05-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
8VDW
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BU of 8vdw by Molmil
X-Ray Crystal Structure of the biotin synthase from V. parvula
Descriptor: 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, Biotin synthase, Fe4 H S5, ...
Authors:Lachowicz, J.C, Grove, T.L.
Deposit date:2023-12-18
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Discovery of a Biotin Synthase That Utilizes an Auxiliary 4Fe-5S Cluster for Sulfur Insertion.
J.Am.Chem.Soc., 146, 2024
8VDT
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BU of 8vdt by Molmil
DNA Ligase 1 with nick DNA 3'rA:T
Descriptor: DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*TP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA ligase 1, DNA/RNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-R(P*A)-D(P*GP*TP*CP*GP*GP*AP*C)-3'), ...
Authors:KanalElamparithi, B, Gulkis, M, Caglayan, M.
Deposit date:2023-12-17
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
8VDS
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BU of 8vds by Molmil
DNA Ligase 1 with nick DNA 3'rG:C
Descriptor: DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA ligase 1, DNA/RNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-R(P*G)-D(P*GP*TP*CP*GP*GP*AP*C)-3')
Authors:KanalElamparithi, B, Gulkis, M, Caglayan, M.
Deposit date:2023-12-17
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
8VDN
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BU of 8vdn by Molmil
DNA Ligase 1 with nick dG:C
Descriptor: ADENOSINE MONOPHOSPHATE, DNA ligase 1, Downstream Oligo, ...
Authors:KanalElamparithi, B, Gulkis, M, Caglayan, M.
Deposit date:2023-12-16
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
8VDE
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BU of 8vde by Molmil
SaPI1 portal-capsid interface in mature capsids with DNA
Descriptor: Major capsid protein, Portal protein
Authors:Kizziah, J.L, Mukherjee, A, Dokland, T.
Deposit date:2023-12-14
Release date:2024-01-10
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of the Portal Complex from Staphylococcus aureus Pathogenicity Island 1 Transducing Particles In Situ and In Isolation.
J.Mol.Biol., 436, 2023
8VDC
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BU of 8vdc by Molmil
SaPI1 portal structure in mature capsids without DNA
Descriptor: Connector, Portal protein
Authors:Mukherjee, A, Kizziah, J.L, Dokland, T.
Deposit date:2023-12-14
Release date:2024-01-10
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the Portal Complex from Staphylococcus aureus Pathogenicity Island 1 Transducing Particles In Situ and In Isolation.
J.Mol.Biol., 436, 2023

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数据于2024-07-17公开中

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