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5VD6
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BU of 5vd6 by Molmil
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with bisubstrate analog 6
Descriptor: (3R,5S,9R,23S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-23-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracosan-24-oic acid 3,5-dioxide (non-preferred name), SULFATE ION, acetyltransferase PA4794
Authors:Majorek, K.A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-04-01
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Generating enzyme and radical-mediated bisubstrates as tools for investigating Gcn5-related N-acetyltransferases.
FEBS Lett., 591, 2017
5IF3
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BU of 5if3 by Molmil
Crystal structure of a Short-chain dehydrogenase/reductase SDR from Burkholderia vietnamiensis
Descriptor: Short-chain dehydrogenase/reductase SDR
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-25
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of a Short-chain dehydrogenase/reductase SDR from Burkholderia vietnamiensis
to be published
7LSM
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BU of 7lsm by Molmil
Crystal structure of E.coli DsbA in complex with bile salt taurocholate
Descriptor: DI(HYDROXYETHYL)ETHER, TAUROCHOLIC ACID, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2021-02-18
Release date:2021-12-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:Selective Binding of Small Molecules to Vibrio cholerae DsbA Offers a Starting Point for the Design of Novel Antibacterials.
Chemmedchem, 17, 2022
6VRO
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BU of 6vro by Molmil
The structure of the PP2A B56 subunit AIM1 complex
Descriptor: Beta/gamma crystallin domain-containing protein 1, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform
Authors:Wang, X, Page, R, Peti, W.
Deposit date:2020-02-08
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A dynamic charge-charge interaction modulates PP2A:B56 substrate recruitment.
Elife, 9, 2020
5VDI
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BU of 5vdi by Molmil
Crystal Structure of Human Glycine Receptor alpha-3 Mutant N38Q Bound to AM-3607, Glycine, and Ivermectin
Descriptor: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, GLYCINE, ...
Authors:Shaffer, P.L, Huang, X, Chen, H.
Deposit date:2017-04-03
Release date:2017-05-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structures of Human GlyR alpha 3 Bound to Ivermectin.
Structure, 25, 2017
5IFC
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BU of 5ifc by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4720 1-(4-bromophenyl)-1H-imidazole
Descriptor: 1-(4-bromophenyl)-1H-imidazole, DIMETHYL SULFOXIDE, Polymerase acidic protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-25
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
5IFM
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BU of 5ifm by Molmil
Human NONO (p54nrb) Homodimer
Descriptor: CHLORIDE ION, GLYCEROL, Non-POU domain-containing octamer-binding protein, ...
Authors:Knott, G.J, Bond, C.S.
Deposit date:2016-02-26
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A crystallographic study of human NONO (p54(nrb)): overcoming pathological problems with purification, data collection and noncrystallographic symmetry.
Acta Crystallogr D Struct Biol, 72, 2016
8VUS
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BU of 8vus by Molmil
Human GluN1-2A with IgG 007-168
Descriptor: 007-168 Heavy, 007-168 Light, Glutamate receptor ionotropic, ...
Authors:Michalski, K, Furukawa, H.
Deposit date:2024-01-29
Release date:2024-09-11
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.99 Å)
Cite:Structural and functional mechanisms of anti-NMDAR autoimmune encephalitis.
Nat.Struct.Mol.Biol., 31, 2024
5IOC
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BU of 5ioc by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V66H/V99D at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Robinson, A.C, Schlessman, J.L, Theodoru, A, Garcia-Moreno E, B.
Deposit date:2016-03-08
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS V66H/V99D at cryogenic temperature
To be Published
8W14
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BU of 8w14 by Molmil
Rhodanese-like domain from Acinetobacter baumannii 118362
Descriptor: GLYCEROL, Rhodanese, SULFATE ION
Authors:Benisch, R, Giessen, T.W.
Deposit date:2024-02-15
Release date:2024-09-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and biochemical characterization of an encapsulin-associated rhodanese from Acinetobacter baumannii.
Protein Sci., 33, 2024
6VTM
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BU of 6vtm by Molmil
Human Cathepsin-G Inhibited by S. aureus EapH1
Descriptor: Cathepsin G, MAP domain-containing protein, SULFATE ION
Authors:Herdendorf, T.J, Geisbrecht, B.V.
Deposit date:2020-02-13
Release date:2020-04-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Human Cathepsin-G Inhibited by S. aureus EapH1
J.Biol.Chem., 2020
8VUT
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BU of 8vut by Molmil
Human GluN1-2A with IgG 008-218
Descriptor: 008-218 Heavy, 008-218 Light, Glutamate receptor ionotropic, ...
Authors:Michalski, K, Furukawa, H.
Deposit date:2024-01-29
Release date:2024-09-11
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural and functional mechanisms of anti-NMDAR autoimmune encephalitis.
Nat.Struct.Mol.Biol., 31, 2024
5IOL
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BU of 5iol by Molmil
Crystal structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni
Descriptor: Nucleoside diphosphate kinase
Authors:Torini, J.R.S, Romanello, L, Bird, L.E, Nettleship, J.E, Owens, R.J, Aller, P, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
Deposit date:2016-03-08
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.741 Å)
Cite:Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs.
Mol.Biochem.Parasitol., 2019
6VIO
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BU of 6vio by Molmil
Crystal structure of eYFP His148Ser
Descriptor: Green fluorescent protein GFP
Authors:Lieberman, R.L, Hill, S.E, Patterson-Orazem, A.C.
Deposit date:2020-01-13
Release date:2021-01-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Optically Modulated and Optically Activated Delayed Fluorescent Proteins through Dark State Engineering
J.Phys.Chem.B, 125, 2021
5IPE
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BU of 5ipe by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate catalytic product complex
Descriptor: 1,2-ETHANEDIOL, 5'-S-phosphono-5'-thioguanosine, CHLORIDE ION, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
8VTA
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BU of 8vta by Molmil
SthK R120A in the presence of PIP2 and cAMP
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Transcriptional regulator, ...
Authors:Schmidpeter, P.A.M, Thon, O, Nimigean, C.M.
Deposit date:2024-01-26
Release date:2024-09-25
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:PIP2 inhibits pore opening of the cyclic nucleotide-gated channel SthK.
Nat Commun, 15, 2024
8VPI
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BU of 8vpi by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 462
Descriptor: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(4-methylpiperazin-1-yl)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2024-01-16
Release date:2024-09-25
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
7M5B
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BU of 7m5b by Molmil
Crystal Structure of human BAK in complex with M3W5_BID
Descriptor: BH3-interacting domain death agonist p15, Bcl-2 homologous antagonist/killer, COPPER (II) ION
Authors:Singh, G, Aggarwal, A, Moldoveanu, T.
Deposit date:2021-03-23
Release date:2022-01-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of BAK activation in mitochondrial apoptosis initiation.
Nat Commun, 13, 2022
5VDR
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BU of 5vdr by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with 3',3'-cdIMP
Descriptor: 3',3'-cdIMP, Cyclic GMP-AMP synthase, ZINC ION
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.042 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
5IGU
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BU of 5igu by Molmil
Macrolide 2'-phosphotransferase type II
Descriptor: Macrolide 2'-phosphotransferase II
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5IH0
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BU of 5ih0 by Molmil
Macrolide 2'-phosphotransferase type II Y92M mutant - complex with GDP and erythromycin
Descriptor: ACETATE ION, ERYTHROMYCIN A, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
8VK8
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BU of 8vk8 by Molmil
Structure of UbV.d2.1 in complex with Ube2d2
Descriptor: Ubiquitin variant D2.1, Ubiquitin-conjugating enzyme E2 D2
Authors:Middleton, A.J.
Deposit date:2024-01-08
Release date:2024-09-25
Last modified:2024-12-18
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural and biophysical characterisation of ubiquitin variants that inhibit the ubiquitin conjugating enzyme Ube2d2.
Febs J., 291, 2024
8VVH
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BU of 8vvh by Molmil
rat GluN1a-2B Fab 003-102 local refinement
Descriptor: 003-102 Heavy, 003-102 Light, Glutamate receptor ionotropic, ...
Authors:Michalski, K, Furukawa, H.
Deposit date:2024-01-31
Release date:2024-09-11
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Structural and functional mechanisms of anti-NMDAR autoimmune encephalitis.
Nat.Struct.Mol.Biol., 31, 2024
5IHF
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BU of 5ihf by Molmil
Salmonella Typhimurium VirG-like (STV) protein
Descriptor: PHOSPHATE ION, SODIUM ION, VirG-like protein
Authors:Pandey, N.K, Ray, S, Suar, M, Bhavesh, N.S.
Deposit date:2016-02-29
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:Salmonella Typhimurium VirG-like (STV) protein
To Be Published
6VU9
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BU of 6vu9 by Molmil
Crystal structure of threonyl-tRNA synthetase (ThrRS) from Stenotrophomonas maltophilia K279a
Descriptor: SULFATE ION, Threonine--tRNA ligase, ZINC ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-02-14
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of threonyl-tRNA synthetase (ThrRS) from Stenotrophomonas maltophilia K279a
To Be Published

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PDB entries from 2025-10-22

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