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8SFK
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BU of 8sfk by Molmil
Crystal structure of the engineered SsoPox variant IVE2
Descriptor: Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ...
Authors:Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H.
Deposit date:2023-04-11
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
8SFF
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BU of 8sff by Molmil
CCT G beta 5 complex closed state 0
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
Authors:Wang, S, Sass, M, Willardson, B.M, Shen, P.S.
Deposit date:2023-04-11
Release date:2023-10-25
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
8SFE
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BU of 8sfe by Molmil
Open state CCT-G beta 5 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ...
Authors:Wang, S, Sass, M, Willardson, B.M, Shen, P.S.
Deposit date:2023-04-10
Release date:2023-10-25
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
8SFD
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BU of 8sfd by Molmil
Crystal structure of the engineered SsoPox variant IVB10
Descriptor: Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ...
Authors:Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H.
Deposit date:2023-04-10
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
8SFC
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BU of 8sfc by Molmil
Crystal structure of the engineered SsoPox variant IVA4 in alternate state
Descriptor: Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ...
Authors:Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H.
Deposit date:2023-04-10
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
8SFB
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BU of 8sfb by Molmil
Crystal structure of the engineered SsoPox variant IVA4
Descriptor: Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ...
Authors:Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H.
Deposit date:2023-04-10
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
8SF2
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BU of 8sf2 by Molmil
Crystal structure of the engineered SsoPox variant IG7
Descriptor: Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ...
Authors:Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H.
Deposit date:2023-04-10
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
8SEM
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BU of 8sem by Molmil
Structural and functional characterisation of Tst2, a novel TRPV1 inhibitory peptide from the Australian sea anemone Telmatactis stephensoni
Descriptor: TRPV1 inhibitory peptide Tst2
Authors:Elnahriry, K.A, Wai, D.C.C, Norton, R.S.
Deposit date:2023-04-10
Release date:2023-09-27
Method:SOLUTION NMR
Cite:Structural and functional characterisation of Tst2, a novel TRPV1 inhibitory peptide from the Australian sea anemone Telmatactis stephensoni.
Biochim Biophys Acta Proteins Proteom, 1872, 2023
8SEF
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BU of 8sef by Molmil
Crystal structure of Cy137C02, a monoclonal antibody isolated from macaques immunized with an Epstein-Barr virus glycoprotein 350 (gp350) nanoparticle vaccine
Descriptor: Cy137C02 Fab heavy chain, Cy137C02 Fab light chain, GLYCEROL, ...
Authors:Joyce, M.G, Jensen, J.L, Chen, W.H, Kanekiyo, M.
Deposit date:2023-04-09
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystal structure of Cy137C02, a monoclonal antibody isolated from macaques immunized with an Epstein-Barr virus glycoprotein 350 (gp350) nanoparticle vaccine
To Be Published
8SED
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BU of 8sed by Molmil
Structure of a new ShKT peptide from the sea anemone Telmatactis stephensoni: ShKT-Ts1
Descriptor: ShKT peptide ShKT-Ts1
Authors:Sanches, K, Siedoks, A.A, Wai, D.C.C, Norton, R.S.
Deposit date:2023-04-09
Release date:2023-10-18
Last modified:2024-01-17
Method:SOLUTION NMR
Cite:Structure-function relationships in ShKT domain peptides: ShKT-Ts1 from the sea anemone Telmatactis stephensoni.
Proteins, 92, 2024
8SE8
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BU of 8se8 by Molmil
HTRA-1 PD/SA bound to CKP 1G10
Descriptor: Cysteine knot peptide, GLYCEROL, SULFATE ION, ...
Authors:Ultsch, M.H.
Deposit date:2023-04-08
Release date:2024-07-03
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:HTRA-1 PD/SA bound to CKP 1G10
To Be Published
8SDV
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BU of 8sdv by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor S02030
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ...
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDT
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BU of 8sdt by Molmil
Crystal structure of PDC-3 beta-lactamase in complex with the boronic acid inhibitor S02030
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, IMIDAZOLE
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDS
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BU of 8sds by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor LP-06
Descriptor: Beta-lactamase, IMIDAZOLE, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDR
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BU of 8sdr by Molmil
Crystal structure of PDC-3 beta-lactamase in complex with the boronic acid inhibitor LP-06
Descriptor: Beta-lactamase, IMIDAZOLE, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 2023
8SDN
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BU of 8sdn by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase
Descriptor: Beta-lactamase, ISOPROPYL ALCOHOL
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDL
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BU of 8sdl by Molmil
Crystal structure of PDC-3 beta-lactamase
Descriptor: Beta-lactamase, IMIDAZOLE, ISOPROPYL ALCOHOL
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDJ
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BU of 8sdj by Molmil
Hydrophobic Interactions Drive the Tetrameric Assembly of the TRIM20 Coiled-Coil Domain
Descriptor: Pyrin
Authors:Lou, X.H, Ma, B.B, Zhuang, Y, Li, X.C.
Deposit date:2023-04-06
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Hydrophobic Interactions Drive the Tetrameric Assembly of the TRIM20 Coiled-Coil Domain
To Be Published
8SDE
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BU of 8sde by Molmil
Electrostatic-Mediated Tetramerization of the Coiled-Coil Domain in TRIM29
Descriptor: GLYCEROL, Tripartite motif-containing protein 29
Authors:Lou, X.H, Zhuang, Y, Ma, B.B, Li, X.C.
Deposit date:2023-04-06
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Electrostatic-Mediated Tetramerization of the Coiled-Coil Domain in TRIM29
To Be Published
8SD4
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BU of 8sd4 by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7
Descriptor: (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Kadam, R.U, Zhu, X, Wilson, I.A.
Deposit date:2023-04-06
Release date:2024-06-05
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SD2
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BU of 8sd2 by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 4
Descriptor: (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kadam, R.U, Zhu, X.Y, Wilson, I.A.
Deposit date:2023-04-06
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SCD
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BU of 8scd by Molmil
Crystal structure of sulfonamide resistance enzyme Sul3 in complex with reaction intermediate
Descriptor: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, 4-AMINOBENZOIC ACID, CHLORIDE ION, ...
Authors:Stogios, P.J, Venkatesan, M, Michalska, K, Mesa, N, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2023-04-05
Release date:2023-05-03
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Nat Commun, 14, 2023
8SC9
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BU of 8sc9 by Molmil
Structure of PPARG in complex with MTX-531
Descriptor: N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ...
Authors:Whitehead, C.E, Leopold, J.
Deposit date:2023-04-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.855 Å)
Cite:Structure of PPARG in complex with MTX-531
To Be Published
8SC7
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BU of 8sc7 by Molmil
Structure of EGFR in complex with MTX-531
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, GLYCEROL, ...
Authors:Whitehead, C.E, Leopold, J.
Deposit date:2023-04-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Structure of EGFR in complex with MTX-531
To Be Published
8SC0
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BU of 8sc0 by Molmil
Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (NAD bound, orthorhombic form)
Descriptor: 2,3-dihydroxybenzoate-2,3-dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-04-04
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (NAD bound, orthorhombic form)
To be published

223532

PDB entries from 2024-08-07

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