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8VGU
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BU of 8vgu by Molmil
Crystal structure of BcTSPO/Hematin complex
Descriptor: Mesoheme, OXYGEN MOLECULE, Tryptophan-rich protein TspO, ...
Authors:Qiu, W, Guo, Y, Hendrickson, W.A.
Deposit date:2023-12-28
Release date:2025-01-15
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of BcTSPO complexed with hematin
PNAS
7M9S
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BU of 7m9s by Molmil
HIV-1 Protease WT (NL4-3) in Complex with NR01-141
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:HIV-1 Protease WT (NL4-3) in Complex with NR01-141
To Be Published
5W2P
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BU of 5w2p by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
7M4F
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BU of 7m4f by Molmil
DNA Polymerase Lambda, dCTP:At Mg2+ Product State Ternary Complex, 300 min
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*AP*GP*TP*AP*CP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
8VQG
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BU of 8vqg by Molmil
X-ray crystal structure of Can f 1
Descriptor: MALONATE ION, Major allergen Can f 1
Authors:Khatri, K, Geoffrey, M.A, Pedersen, L.C, Champan, M.D, Pomes, A, Chruszcz, M.
Deposit date:2024-01-18
Release date:2025-01-22
Last modified:2025-09-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Human IgE monoclonal antibodies define two unusual epitopes trapping dog allergen Can f 1 in different conformations.
Protein Sci., 34, 2025
6VV9
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BU of 6vv9 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300
Descriptor: 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B.
Deposit date:2020-02-17
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
2XU2
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BU of 2xu2 by Molmil
Crystal Structure of the hypothetical protein PA4511 from Pseudomonas aeruginosa
Descriptor: CITRIC ACID, UPF0271 PROTEIN PA4511
Authors:Oke, M, Carter, L.G, Johnson, K.A, Liu, H, McMahon, S.A, White, M.F, Naismith, J.H.
Deposit date:2010-10-14
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
7M1Z
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BU of 7m1z by Molmil
Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
Descriptor: (R)-MEVALONATE, 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, ACETATE ION, ...
Authors:Bose, S, Steussy, C.N, Stauffacher, C.V.
Deposit date:2021-03-15
Release date:2022-09-21
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Targeting Enterococcus faecalis HMG-CoA reductase with a non-statin inhibitor
Nat Commun, 2023
6VVU
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BU of 6vvu by Molmil
Anti-Tryptase fab E104.v1 bound to tryptase
Descriptor: CALCIUM ION, Fab E104.v1 heavy chain, Fab E104.v1 light chain, ...
Authors:Ultsch, M, Koerber, J.T.
Deposit date:2020-02-18
Release date:2020-12-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bivalent antibody pliers inhibit beta-tryptase by an allosteric mechanism dependent on the IgG hinge.
Nat Commun, 11, 2020
8VH0
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BU of 8vh0 by Molmil
Vanadate-bound Vanadium-dependent Bromoperoxidase from Corallina pilulifera
Descriptor: CALCIUM ION, VANADATE ION, Vanadium-dependent bromoperoxidase
Authors:Hessefort, L.Z, Williams, D.R, Biegasiewicz, K.F.
Deposit date:2023-12-30
Release date:2025-01-15
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:High-Resolution CryoEM unveils insights into the Catalytic Mechanism of a Vanadium-dependent Bromoperoxidase
To be published
8VJQ
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BU of 8vjq by Molmil
Bromide-bound Vanadium-dependent Bromoperoxidase from Corallina pilulifera
Descriptor: BROMIDE ION, CALCIUM ION, VANADATE ION, ...
Authors:Hessefort, L.Z, Williams, D.R, Biegasiewicz, K.F.
Deposit date:2024-01-07
Release date:2025-01-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:High-Resolution CryoEM unveils insights into the Catalytic Mechanism of a Vanadium-dependent Bromoperoxidase
To be published
7M43
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BU of 7m43 by Molmil
DNA Polymerase Lambda, TTP:At Ca2+ Ground State Ternary Complex
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
7M4J
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BU of 7m4j by Molmil
DNA Polymerase Lambda, dCTP:At Mn2+ Product State Ternary Complex, 960 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.377 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
8VMJ
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BU of 8vmj by Molmil
H3K4me3 nucleosome bound to PRC2_AJ119-450
Descriptor: DNA (157-MER), Histone H2A, Histone H2B, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-13
Release date:2025-01-15
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
7M4A
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BU of 7m4a by Molmil
DNA Polymerase Lambda, TTP:At Mn2+ Product State Ternary Complex, 20 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.868 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
8VJ9
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BU of 8vj9 by Molmil
CryoEM structure of human ACKR3 phosphorylated by GRK5 in complex with Arrestin3 variant with the C edge loop from Arrestin2 inserted
Descriptor: Atypical chemokine receptor 3, Beta-arrestin-2, Fab7 heavy chain, ...
Authors:Chen, Q, Tesmer, J.J.G.
Deposit date:2024-01-06
Release date:2025-01-22
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Effect of phosphorylation barcodes on arrestin binding to a chemokine receptor.
Nature, 643, 2025
5VHY
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BU of 5vhy by Molmil
GluA2-2xGSG1L bound to ZK
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2,Germ cell-specific gene 1-like protein, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid
Authors:Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I.
Deposit date:2017-04-13
Release date:2017-05-03
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural Bases of Desensitization in AMPA Receptor-Auxiliary Subunit Complexes.
Neuron, 94, 2017
8VNX
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BU of 8vnx by Molmil
A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
Descriptor: (4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H, Feng, Y.
Deposit date:2024-01-13
Release date:2025-01-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
To Be Published
7M46
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BU of 7m46 by Molmil
DNA Polymerase Lambda, TTP:At Mg2+ Product State Ternary Complex, 5 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
5IFB
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BU of 5ifb by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4719 5-chloro-2-(1H-imidazol-1-yl)aniline
Descriptor: 5-chloro-2-(1H-imidazol-1-yl)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-25
Release date:2017-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
7M44
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BU of 7m44 by Molmil
DNA Polymerase Lambda, TTP:At Mg2+ Reaction State Ternary Complex, 90 sec
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
8VO6
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BU of 8vo6 by Molmil
Cryo-EM structure of fascin bound to F-actin (actin binding site 2)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Gong, R, Reynolds, M.J, Alushin, G.M.
Deposit date:2024-01-14
Release date:2025-01-15
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Fascin structural plasticity mediates flexible actin bundle construction.
Nat.Struct.Mol.Biol., 32, 2025
5VD4
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BU of 5vd4 by Molmil
CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-016, a MK1775 analougue
Descriptor: 1,2-ETHANEDIOL, 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ...
Authors:Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-04-01
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis of Wee family kinase inhibition by small molecules
to be published
6W0B
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BU of 6w0b by Molmil
Open-gate KcsA soaked in 2 mM BaCl2
Descriptor: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.604 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
7M4C
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BU of 7m4c by Molmil
DNA Polymerase Lambda, TTP:At Mn2+ Product State Ternary Complex, 960 min
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2021-03-21
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022

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