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8VCG
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BU of 8vcg by Molmil
Mutant Src SH2 domain in complex with phosphotyrosine
Descriptor: Isoform 3 of Proto-oncogene tyrosine-protein kinase Src, O-PHOSPHOTYROSINE
Authors:Hashem, A, Nyovanie, S, Oltean, N, Patskovska, L, Patskovsky, Y, Krogsgaard, M.
Deposit date:2023-12-14
Release date:2025-01-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Engineered Mutant Src Sh2 Domain
To Be Published
5VDS
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BU of 5vds by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with 3',3'-cdUMP
Descriptor: 3',3'-cdUMP, 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 (2.766 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
8VW3
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BU of 8vw3 by Molmil
Structure of the non-symmetric capsomer of the Drosophila retrotransposon Copia capsid
Descriptor: Copia VLP protein
Authors:Liu, Y, Kelch, B.A.
Deposit date:2024-01-31
Release date:2025-02-12
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Capsid transfer of the retrotransposon Copia controls structural synaptic plasticity in Drosophila.
Plos Biol., 23, 2025
5I9I
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BU of 5i9i by Molmil
Crystal structure of LP_PLA2 in complex with Darapladib
Descriptor: N-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[ 4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide, Platelet-activating factor acetylhydrolase, SULFATE ION
Authors:Liu, Q.F, Xu, Y.C.
Deposit date:2016-02-20
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Thermodynamic Characterization of Protein-Ligand Interactions Formed between Lipoprotein-Associated Phospholipase A2 and Inhibitors
J.Med.Chem., 59, 2016
8W3Q
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BU of 8w3q by Molmil
Crystal structure of prefusion-stabilized hMPV F protein UFCM1-P2-iSS
Descriptor: prefusion-stabilized hMPV F protein UFCM1-P2-iSS
Authors:Lee, Y.Z, Stanfield, R.L, Wilson, I.A, Zhu, J.
Deposit date:2024-02-22
Release date:2025-01-15
Method:X-RAY DIFFRACTION (5.99 Å)
Cite:Rational design of uncleaved prefusion-closed trimer vaccines for human respiratory syncytial virus and metapneumovirus.
Nat Commun, 15, 2024
7MAP
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BU of 7map by Molmil
Drug Resistant HIV-1 Protease (L10I, V32I, L33F, K45I, M46I, I50V, A71V, V82I, I84V) in Complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Drug Resistant HIV-1 Protease (L10I, V32I, L33F, K45I, M46I, I50V, A71V, V82I, I84V) in Complex with DRV
To Be Published
8VHG
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BU of 8vhg by Molmil
Structure of the BMAL1/HIF2A heterodimer in Complex with DNA
Descriptor: Basic helix-loop-helix ARNT-like protein 1, Endothelial PAS domain-containing protein 1, Forward strand DNA containing HRE motif, ...
Authors:Li, T, Tsai, K.L.
Deposit date:2024-01-01
Release date:2025-02-12
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:BMAL1-HIF2A heterodimer modulates circadian variations of myocardial injury.
Nature, 641, 2025
8VTH
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BU of 8vth by Molmil
DUF2169 domain-containing protein from Vibrio xiamenensis
Descriptor: 1,2-ETHANEDIOL, DUF2169 domain-containing protein
Authors:Sachar, K, Whitney, J.C, Prehna, G, Kim, Y.
Deposit date:2024-01-26
Release date:2025-02-12
Last modified:2025-06-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A conserved chaperone protein is required for the formation of a noncanonical type VI secretion system spike tip complex.
J.Biol.Chem., 301, 2025
5VYP
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BU of 5vyp by Molmil
Crystal structure of the Plant Defensin NsD7 bound to PIP2
Descriptor: Defensin NsD7, GLYCEROL, SULFATE ION, ...
Authors:Jarva, M, Lay, F.T, Hulett, M, Kvansakul, M.
Deposit date:2017-05-25
Release date:2017-08-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the defensin NsD7 in complex with PIP2 reveals that defensin : lipid oligomer topologies are dependent on lipid type.
FEBS Lett., 591, 2017
8VWG
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BU of 8vwg by Molmil
Structure of the Drosophila retrotransposon Copia capsid
Descriptor: Copia VLP protein
Authors:Liu, Y, Kelch, B.A.
Deposit date:2024-02-01
Release date:2025-02-12
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:Capsid transfer of the retrotransposon Copia controls structural synaptic plasticity in Drosophila.
Plos Biol., 23, 2025
5IGE
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BU of 5ige by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS T62H/V99D at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2016-02-27
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS T62H/V99D at cryogenic temperature
To be Published
6VUE
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BU of 6vue by Molmil
wild-type choline TMA lyase in complex with 1-methyl-1,2,3,6-tetrahydropyridin-3-ol
Descriptor: (3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol, Choline trimethylamine-lyase, SODIUM ION
Authors:Ortega, M.A, Drennan, C.L.
Deposit date:2020-02-15
Release date:2020-11-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of a Cyclic Choline Analog That Inhibits Anaerobic Choline Metabolism by Human Gut Bacteria.
Acs Med.Chem.Lett., 11, 2020
7MBH
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BU of 7mbh by Molmil
Structure of Human Enolase 2 in complex with phosphoserine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ...
Authors:Leonard, P.G, Hicks, K.G, Rutter, J.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
7MAQ
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BU of 7maq by Molmil
Drug Resistant HIV-1 Protease (L10F, V32I, L33F, K45I, A71V, V82I, I84V) in Complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Drug Resistant HIV-1 Protease (L10F, V32I, L33F, K45I, A71V, V82I, I84V) in Complex with DRV
To Be Published
8VVZ
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BU of 8vvz by Molmil
Structure of the three-fold capsomer of the Drosophila retrotransposon Copia capsid
Descriptor: Copia VLP protein
Authors:Liu, Y, Kelch, B.A.
Deposit date:2024-01-31
Release date:2025-02-12
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Capsid transfer of the retrotransposon Copia controls structural synaptic plasticity in Drosophila.
Plos Biol., 23, 2025
6W8L
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BU of 6w8l by Molmil
Crystal structure of JAK1 kinase with compound 10
Descriptor: N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK1
Authors:Vajdos, F.F.
Deposit date:2020-03-20
Release date:2020-04-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
8VVW
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BU of 8vvw by Molmil
Structure of the five-fold capsomer of the Drosophila retrotransposon Copia capsid
Descriptor: Copia VLP protein
Authors:Liu, Y, Kelch, B.A.
Deposit date:2024-01-31
Release date:2025-02-12
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Capsid transfer of the retrotransposon Copia controls structural synaptic plasticity in Drosophila.
Plos Biol., 23, 2025
5IGP
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BU of 5igp by Molmil
Macrolide 2'-phosphotransferase type I - complex with GDP and erythromycin
Descriptor: ERYTHROMYCIN A, GUANOSINE-5'-DIPHOSPHATE, ISOPROPYL ALCOHOL, ...
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 (1.6 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
8VZ6
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BU of 8vz6 by Molmil
PbAbiF dimer bound to ncRNA
Descriptor: Abi family protein, AbiF ncRNA
Authors:Wilkinson, M.E, Zilberzwige-Tal, S, Altae-Tran, H, Zhang, F.
Deposit date:2024-02-10
Release date:2025-02-12
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Emergence of a CRISPR RNA-guiding mechanism from a type III toxin-antitoxin system
To Be Published
6WBD
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BU of 6wbd by Molmil
Crystal Structure of Lysyl-tRNA synthetase from Stenotrophomonas maltophilia with bound L-lysine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, LYSINE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-03-26
Release date:2020-04-08
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Lysyl-tRNA synthetase from Stenotrophomonas maltophilia with bound L-lysine
to be published
5VZJ
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BU of 5vzj by Molmil
STRUCTURE OF A TWELVE COMPONENT MPP6-NUCLEAR RNA EXOSOME COMPLEX BOUND TO RNA
Descriptor: Exosome complex component CSL4, Exosome complex component MTR3, Exosome complex component RRP4, ...
Authors:Lima, C.D, Wasmuth, E.V.
Deposit date:2017-05-28
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure and reconstitution of yeast Mpp6-nuclear exosome complexes reveals that Mpp6 stimulates RNA decay and recruits the Mtr4 helicase.
Elife, 6, 2017
5IGZ
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BU of 5igz by Molmil
Macrolide 2'-phosphotransferase type II - complex with GDP and spiramycin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Macrolide 2'-phosphotransferase II, ...
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 (1.6 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5IAV
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BU of 5iav by Molmil
Mechanistic and Structural Analysis of Substrate Recognition and Cofactor Binding by an Unusual Bacterial Prolyl Hydroxylase - Co-BaP4H-MLI
Descriptor: COBALT (II) ION, MALONATE ION, Procollagen-Proline Dioxygenase
Authors:Schnicker, N.J, Dey, M.
Deposit date:2016-02-21
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bacillus anthracis Prolyl 4-Hydroxylase Modifies Collagen-like Substrates in Asymmetric Patterns.
J.Biol.Chem., 291, 2016
7MA5
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BU of 7ma5 by Molmil
HIV-1 Protease (I84V) in Complex with UMass4
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.977 Å)
Cite:HIV-1 Protease (I84V) in Complex with UMass4
To Be Published
8VYA
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BU of 8vya by Molmil
SARS-CoV-2 Omicron Variant Spike Glycoprotein Fusion Core (Q954H)
Descriptor: SARS-CoV-2 Omicron variant spike glycoprotein C-terminal heptad repeat domain, SARS-CoV-2 Omicron variant spike glycoprotein N-terminal heptad repeat domain (Q954H)
Authors:Outlaw, V.K, Apurba, R, Vithanage, N.
Deposit date:2024-02-07
Release date:2025-02-19
Last modified:2025-07-30
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:SARS-CoV-2 Omicron Variant Spike Glycoprotein Mutation Q954H Enhances Fusion Core Stability.
Acs Chem.Biol., 20, 2025

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PDB entries from 2025-10-22

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