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7RYF
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BU of 7ryf by Molmil
A. baumannii Ribosome-TP-6076 complex: P-site tRNA 70S
Descriptor: (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, 16S Ribosomal RNA, 23S ribosomal RNA, ...
Authors:Morgan, C.E, Yu, E.W.
Deposit date:2021-08-25
Release date:2022-02-02
Last modified:2025-03-19
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:An Analysis of the Novel Fluorocycline TP-6076 Bound to Both the Ribosome and Multidrug Efflux Pump AdeJ from Acinetobacter baumannii.
Mbio, 13, 2022
9IP2
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BU of 9ip2 by Molmil
Cryo-EM structure of the RNA-dependent RNA polymerase complex from Marburg virus
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Polymerase cofactor VP35, RNA-directed RNA polymerase L,Maltose/maltodextrin-binding periplasmic protein, ZINC ION
Authors:Li, G, Du, T, Wang, J, Wu, S, Ru, H.
Deposit date:2024-07-10
Release date:2025-04-09
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural insights into the RNA-dependent RNA polymerase complexes from highly pathogenic Marburg and Ebola viruses.
Nat Commun, 16, 2025
7LMQ
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BU of 7lmq by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 62 [4-methyl-3-(morpholinomethyl)-7-(1-phenylethoxy)-2H-chromen-2-one]
Descriptor: 4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{R})-1-phenylethoxy]chromen-2-one, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
8DYH
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BU of 8dyh by Molmil
IL17A homodimer bound to Compound 6
Descriptor: (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2022-08-04
Release date:2022-09-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
6RDA
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BU of 6rda by Molmil
CryoEM structure of Polytomella F-ATP synthase, Primary rotary state 1, monomer-masked refinement
Descriptor: ASA-10: Polytomella F-ATP synthase associated subunit 10, ASA-2: Polytomella F-ATP synthase associated subunit 2, ASA-9: Polytomella F-ATP synthase associated subunit 9, ...
Authors:Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W.
Deposit date:2019-04-12
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
8DX4
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BU of 8dx4 by Molmil
Clostridioides difficile R20291 minor pilin - PilW fused with Maltose Binding Protein
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Ronish, L.A, Piepenbrink, K.
Deposit date:2022-08-02
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.487 Å)
Cite:Recognition of extracellular DNA by type IV pili promotes biofilm formation by Clostridioides difficile.
J.Biol.Chem., 298, 2022
9J0R
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BU of 9j0r by Molmil
Structure of pcStar in the green fluorescent state
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Green to red photoconvertible GFP-like protein EosFP
Authors:Zheng, S.P, Shi, X.R.
Deposit date:2024-08-02
Release date:2025-04-16
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural basis for the fast maturation of pcStar, a photoconvertible fluorescent protein.
Acta Crystallogr D Struct Biol, 81, 2025
5N0R
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BU of 5n0r by Molmil
Crystal structure of OphA-DeltaC6 mutant Y66F in complex with SAM
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Peptide N-methyltransferase, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2017-02-03
Release date:2018-02-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
6ODE
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BU of 6ode by Molmil
Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor B6
Descriptor: N-{(2S)-1-({(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide, Proteasome subunit alpha, Proteasome subunit beta
Authors:Hsu, H.C, Li, H.
Deposit date:2019-03-26
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Selective Phenylimidazole-Based Inhibitors of theMycobacterium tuberculosisProteasome.
J.Med.Chem., 62, 2019
6RE6
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BU of 6re6 by Molmil
Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2C, monomer-masked refinement
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ...
Authors:Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W.
Deposit date:2019-04-12
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
7RYG
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BU of 7ryg by Molmil
A. baumannii Ribosome-TP-6076 complex: E-site tRNA 70S
Descriptor: (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, 16S Ribosomal RNA, 23S ribosomal RNA, ...
Authors:Morgan, C.E, Yu, E.W.
Deposit date:2021-08-25
Release date:2022-02-02
Last modified:2025-03-19
Method:ELECTRON MICROSCOPY (2.38 Å)
Cite:An Analysis of the Novel Fluorocycline TP-6076 Bound to Both the Ribosome and Multidrug Efflux Pump AdeJ from Acinetobacter baumannii.
Mbio, 13, 2022
6RDX
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BU of 6rdx by Molmil
Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1F, monomer-masked refinement
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ...
Authors:Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W.
Deposit date:2019-04-12
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
8OVT
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BU of 8ovt by Molmil
Crystal structure of the ligand-free YeGT glycosyltransferase
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, YeGT glycosyltransferase
Authors:Wirth, C, Hunte, C.
Deposit date:2023-04-26
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tyrosine-modifying glycosylation by Yersinia effectors.
J.Biol.Chem., 300, 2024
8T55
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BU of 8t55 by Molmil
Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654
Descriptor: 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91
Authors:Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-06-12
Release date:2023-07-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
9II5
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BU of 9ii5 by Molmil
Crystal structure of human TRIM21 PRYSPRY in complex with compound 1
Descriptor: E3 ubiquitin-protein ligase TRIM21, ~{N}-[(1-fluoranylcyclohexyl)methyl]-~{N}-methyl-4-(2-methylsulfanylphenyl)-2-methylsulfonyl-benzamide
Authors:Zhang, L.Y.
Deposit date:2024-06-19
Release date:2025-05-07
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Chemically Induced Nuclear Pore Complex Protein Degradation via TRIM21.
Acs Chem.Biol., 20, 2025
6I5G
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BU of 6i5g by Molmil
X-ray structure of human soluble Epoxide Hydrolase C-terminal Domain (hsEH CTD)in complex with 15d-PGJ2
Descriptor: (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2
Authors:Abis, G, Kopec, J, Yue, W.W, Conte, M.R.
Deposit date:2018-11-13
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:15-deoxy-Delta12,14-Prostaglandin J2inhibits human soluble epoxide hydrolase by a dual orthosteric and allosteric mechanism.
Commun Biol, 2, 2019
5YC7
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BU of 5yc7 by Molmil
The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH7.4
Descriptor: 1-(4-BROMOPHENYL)METHANAMINE, SULFATE ION, Urokinase-type plasminogen activator
Authors:Jiang, L.G, Zhang, X, Huang, M.D.
Deposit date:2017-09-06
Release date:2018-10-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases
Rsc Adv, 8, 2018
8P5I
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BU of 8p5i by Molmil
Kinase domain of mutant human ULK1 in complex with compound XMD-17-51
Descriptor: 5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one, GLYCEROL, MAGNESIUM ION, ...
Authors:Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P.
Deposit date:2023-05-24
Release date:2024-06-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.829 Å)
Cite:Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
8XVE
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BU of 8xve by Molmil
Cryo-EM structure of ETBR bound with BQ3020
Descriptor: BQ3020, Exo-alpha-sialidase,Endothelin receptor type B, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hou, J.Y, Liu, S.H, Wu, L.J, Liu, Z.J, Hua, T.
Deposit date:2024-01-15
Release date:2024-08-28
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of antagonist selectivity in endothelin receptors.
Cell Discov, 10, 2024
6OJL
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BU of 6ojl by Molmil
Structure of YePL2A R194K in Complex with Pentagalacturonic Acid
Descriptor: 1,2-ETHANEDIOL, Periplasmic pectate lyase, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid
Authors:Jones, D.R, Abbott, D.W.
Deposit date:2019-04-11
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A surrogate structural platform informed by ancestral reconstruction and resurrection of a putative carbohydrate binding module hybrid illuminates the neofunctionalization of a pectate lyase.
J.Struct.Biol., 207, 2019
7RYH
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BU of 7ryh by Molmil
A. baumannii Ribosome-TP-6076 complex: Empty 70S
Descriptor: (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, 16S Ribosomal RNA, 23S ribosomal RNA, ...
Authors:Morgan, C.E, Yu, E.W.
Deposit date:2021-08-25
Release date:2022-02-02
Last modified:2025-03-19
Method:ELECTRON MICROSCOPY (2.43 Å)
Cite:An Analysis of the Novel Fluorocycline TP-6076 Bound to Both the Ribosome and Multidrug Efflux Pump AdeJ from Acinetobacter baumannii.
Mbio, 13, 2022
9CLJ
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BU of 9clj by Molmil
HIV-2 CA T=1 Icosahedron; assembled via lipid templating
Descriptor: Capsid protein p24, INOSITOL HEXAKISPHOSPHATE
Authors:Cook, M, Freniere, C, Xiong, Y.
Deposit date:2024-07-11
Release date:2025-03-05
Method:ELECTRON MICROSCOPY (1.98 Å)
Cite:Structural insights into HIV-2 CA lattice formation and FG-pocket binding revealed by single-particle cryo-EM.
Cell Rep, 44, 2025
6RDZ
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BU of 6rdz by Molmil
Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2A, composite map
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ...
Authors:Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W.
Deposit date:2019-04-12
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
6REF
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BU of 6ref by Molmil
Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 3B, monomer-masked refinement
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ...
Authors:Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W.
Deposit date:2019-04-12
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
6XB1
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BU of 6xb1 by Molmil
Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design
Descriptor: 1-ETHYL-PYRROLIDINE-2,5-DIONE, 3C-like proteinase
Authors:Kneller, D.W, Kovalevsky, A, Coates, L.
Deposit date:2020-06-05
Release date:2020-06-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020

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