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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
8SBS
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BU of 8sbs by Molmil
Fumarate C - R126A in (3-(N-morpholino)propanesulfonic acid) at pH 7.5
Descriptor: Fumarate hydratase class II
Authors:Weaver, T.M, May, J, Bhattacharyya, B.
Deposit date:2023-04-04
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Fumarate C - R126A in (3-(N-morpholino)propanesulfonic acid) at pH 7.5
To Be Published
8SBR
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BU of 8sbr by Molmil
E coli. CTP synthase in complex with CTP (sodium malonate + 20 mM MgCl2)
Descriptor: CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MALONIC ACID
Authors:Holyoak, T, McLeod, M.J, Tran, N.
Deposit date:2023-04-04
Release date:2023-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
8SBN
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BU of 8sbn by Molmil
Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (P21 Form 1)
Descriptor: CHLORIDE ION, Dephospho-CoA kinase, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-04-03
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (P21 Form 1)
To be published
8SBL
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BU of 8sbl by Molmil
Structure of HLA-A*24:02 in complex with peptide, LYLPVRVLI
Descriptor: Beta-2-microglobulin, LEU-TYR-LEU-PRO-VAL-ARG-VAL-LEU-ILE, MHC class I antigen
Authors:Mallik, L, Young, M.C, Sgourakis, N.G.
Deposit date:2023-04-03
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural principles of peptide-centric chimeric antigen receptor recognition guide therapeutic expansion.
Sci Immunol, 8, 2023
8SBK
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BU of 8sbk by Molmil
Structure of HLA-A*24:02 in complex with peptide, LYLPVRVLI (ATG2A).
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, LEU-TYR-LEU-PRO-VAL-ARG-VAL-LEU-ILE, ...
Authors:Mallik, L, Young, M.C, Sgourakis, N.G.
Deposit date:2023-04-03
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural principles of peptide-centric chimeric antigen receptor recognition guide therapeutic expansion.
Sci Immunol, 8, 2023
8SBH
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BU of 8sbh by Molmil
YeiE effector binding domain from E. coli
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Momany, C, Nune, M, Brondani, J.C, Afful, D, Neidle, E.
Deposit date:2023-04-03
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:FinR, a LysR-type transcriptional regulator involved in sulfur homeostasis with homologs in diverse microorganisms
To Be Published
8SBG
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BU of 8sbg by Molmil
Crystal structure of B. theta tryptophanase in holo form
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Tryptophanase
Authors:Graboski, A.L, Redinbo, M.R.
Deposit date:2023-04-03
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
8SBF
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BU of 8sbf by Molmil
Full-length structure of the LysR-type transcriptional regulator, ACIAD0746, from Acinetobacter baylyi
Descriptor: GLYCEROL, MAGNESIUM ION, Putative transcriptional regulator (LysR family), ...
Authors:Momany, C, Nune, M, Brondani, J.C, Afful, D, Neidle, E, Galloway, N.R.
Deposit date:2023-04-03
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:FinR, a LysR-type transcriptional regulator involved in sulfur homeostasis with homologs in diverse microorganisms
To Be Published
8SBB
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BU of 8sbb by Molmil
Cryo-EM structure of FtAlkB
Descriptor: Alkane 1-monooxygenase, DODECANE, FE (III) ION, ...
Authors:Zhang, J, Feng, L.
Deposit date:2023-04-03
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Structure and mechanism of the alkane-oxidizing enzyme AlkB.
Nat Commun, 14, 2023
8SAP
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BU of 8sap by Molmil
Crystal structure of class III lanthipeptide synthetase ThurKC
Descriptor: Class III lanthionine synthetase LanKC
Authors:Hernandez Garcia, A, Nair, S.K.
Deposit date:2023-04-01
Release date:2023-10-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure and Function of a Class III Metal-Independent Lanthipeptide Synthetase.
Acs Cent.Sci., 9, 2023
8SAH
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BU of 8sah by Molmil
Huntingtin C-HEAT domain in complex with HAP40
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Harding, R.J, Deme, J.C, Alteen, M.G, Arrowsmith, C.H, Lea, S.M, Structural Genomics Consortium (SGC)
Deposit date:2023-03-31
Release date:2023-04-26
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Delineation of functional subdomains of Huntingtin protein and their interaction with HAP40.
Structure, 31, 2023
8SAG
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BU of 8sag by Molmil
Carbonic anhydrase II in complex with the coumarin benzene sulfonamide SG1-57
Descriptor: 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-03-31
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Carbonic anhydrase II in complex with novel coumarin benzene sulfonamides
To Be Published
8SAD
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BU of 8sad by Molmil
Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP/Malonate complex (C2 form)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cystathionine beta-lyase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-03-31
Release date:2023-04-12
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP/Malonate complex (C2 form)
To be published
8SAB
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BU of 8sab by Molmil
Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP adduct with Alanine (C2 form)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALANYL-PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-03-31
Release date:2023-04-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP adduct with Alanine (C2 form)
To be published
8S9Y
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BU of 8s9y by Molmil
Taipan Natriuretic Peptide C -TNPc
Descriptor: Peptide TNP-c
Authors:Torres, A.M, Alewood, P.F.
Deposit date:2023-03-30
Release date:2023-04-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Taipan Natriuretic Peptides Are Potent and Selective Agonists for the Natriuretic Peptide Receptor A.
Molecules, 28, 2023
8S9W
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BU of 8s9w by Molmil
Murine S100A7/S100A15 in presence of calcium
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Harrison, S.A, Naretto, A, Balakrishnan, S, Chazin, W.J.
Deposit date:2023-03-30
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Comparative analysis of the physical properties of murine and human S100A7: Insight into why zinc piracy is mediated by human but not murine S100A7.
J.Biol.Chem., 299, 2023
8S9K
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BU of 8s9k by Molmil
Structure of dimeric FAM111A SPD S541A Mutant
Descriptor: GLYCEROL, Serine protease FAM111A
Authors:Palani, S, Alvey, J.A, Cong, A.T.Q, Schellenberg, M.J, Machida, Y.
Deposit date:2023-03-29
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes.
Nat Commun, 15, 2024

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PDB entries from 2024-07-10

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