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6NCO
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BU of 6nco by Molmil
Fragment-based Discovery of an apoE4 Stabilizer
Descriptor: 1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide, Apolipoprotein E
Authors:Jakob, C.G, Qiu, W.
Deposit date:2018-12-11
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.707 Å)
Cite:Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.
J.Med.Chem., 62, 2019
6NSS
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BU of 6nss by Molmil
TRK-A IN COMPLEX WITH LIGAND 6
Descriptor: High affinity nerve growth factor receptor, N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-01-25
Release date:2019-05-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
8TNR
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BU of 8tnr by Molmil
Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 2
Descriptor: 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione, DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, ...
Authors:Roy Burman, S.S, Hunkeler, M, Fischer, E.S.
Deposit date:2023-08-02
Release date:2024-03-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Continuous evolution of compact protein degradation tags regulated by selective molecular glues.
Science, 383, 2024
8TNP
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BU of 8tnp by Molmil
Cryo-EM structure of DDB1dB:CRBN:Pomalidomide:SD40
Descriptor: DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, Protein cereblon, ...
Authors:Roy Burman, S.S, Hunkeler, M, Fischer, E.S.
Deposit date:2023-08-02
Release date:2024-03-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Continuous evolution of compact protein degradation tags regulated by selective molecular glues.
Science, 383, 2024
8TNQ
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BU of 8tnq by Molmil
Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 1
Descriptor: 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione, DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, ...
Authors:Roy Burman, S.S, Hunkeler, M, Fischer, E.S.
Deposit date:2023-08-02
Release date:2024-03-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Continuous evolution of compact protein degradation tags regulated by selective molecular glues.
Science, 383, 2024
7SV2
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BU of 7sv2 by Molmil
Human Cytochrome P450 (CYP) 3A5 ternary complex with azamulin
Descriptor: (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hsu, M, Johnson, E.F.
Deposit date:2021-11-18
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural characterization of the homotropic cooperative binding of azamulin to human cytochrome P450 3A5.
J.Biol.Chem., 298, 2022
6NW1
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BU of 6nw1 by Molmil
Crystal Structure Desulfovibrio desulfuricans Nickel-Substituted Rubredoxin V37N
Descriptor: NICKEL (II) ION, Rubredoxin
Authors:Slater, J.W, Marguet, S.C, Gray, M.E, Sotomayor, M, Shafaat, H.S.
Deposit date:2019-02-05
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Power of the Secondary Sphere: Modulating Hydrogenase Activity in Nickel-Substituted Rubredoxin
Acs Catalysis, 2019
7WSB
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BU of 7wsb by Molmil
The ternary complex structure of FtmOx1 with a-ketoglutarate and 13-oxo-fumitremorgin B
Descriptor: 13-Oxofumitremorgin B, 2-OXOGLUTARIC ACID, COBALT (II) ION, ...
Authors:Wang, J, Wang, X.Y, Wang, Y.Y, Yan, W.P.
Deposit date:2022-01-28
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Dissecting the Mechanism of the Nonheme Iron Endoperoxidase FtmOx1 Using Substrate Analogues.
Jacs Au, 2, 2022
6NPT
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BU of 6npt by Molmil
TRK-A IN COMPLEX WITH LIGAND 1
Descriptor: 4-tert-butyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide, High affinity nerve growth factor receptor
Authors:Subramanian, G.
Deposit date:2019-01-18
Release date:2019-05-22
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
6NXE
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BU of 6nxe by Molmil
Cryo-EM Reconstruction of Protease-Activateable Adeno-Associated Virus 9 (AAV9-L001)
Descriptor: Capsid protein VP1
Authors:Bennett, A.B, Agbandje-Mckenna, M.
Deposit date:2019-02-08
Release date:2019-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Protease-Activatable Adeno-Associated Virus Vector for Gene Delivery to Damaged Heart Tissue.
Mol. Ther., 27, 2019
7MEU
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BU of 7meu by Molmil
A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders
Descriptor: (2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E
Authors:Papadopoulos, E.
Deposit date:2021-04-07
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders.
Eur.J.Med.Chem., 219, 2021
4FJL
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BU of 4fjl by Molmil
RB69 DNA polymerase ternary complex with dGTP/dA
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
Authors:Xia, S, Wang, J, Konigsberg, W.H.
Deposit date:2012-06-11
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
6U4B
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BU of 6u4b by Molmil
WbbM bifunctional glycosytransferase apo structure
Descriptor: MAGNESIUM ION, WbbM protein
Authors:Kimber, M.S, Mallette, E, Kamski-Hennekam, E.R, Gitalis, R.
Deposit date:2019-08-25
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A bifunctional O-antigen polymerase structure reveals a new glycosyltransferase family.
Nat.Chem.Biol., 16, 2020
8U3N
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BU of 8u3n by Molmil
Structure of P450Blt from Micromonospora sp. MW-13
Descriptor: Cytochrome P450-SU1, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hansen, M.H, Cryle, M.J, Zhao, Y.
Deposit date:2023-09-08
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8UKZ
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BU of 8ukz by Molmil
Structure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation
Descriptor: ACETATE ION, Cytochrome P450-SU1, DI(HYDROXYETHYL)ETHER, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-10-15
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
6UX2
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BU of 6ux2 by Molmil
Crystal structure of ZIKV RdRp in complex with STAT2
Descriptor: Nonstructural Protein 5, SULFATE ION, Signal transducer and activator of transcription 2, ...
Authors:Wang, B, Song, J.
Deposit date:2019-11-06
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural basis for STAT2 suppression by flavivirus NS5.
Nat.Struct.Mol.Biol., 27, 2020
3UPQ
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BU of 3upq by Molmil
Crystal structure of the pre-catalytic ternary complex of polymerase lambda with an rATP analog opposite a templating T.
Descriptor: 5'-D(*CP*AP*GP*TP*AP*C)-3', 5'-D(*CP*GP*GP*CP*TP*GP*TP*AP*CP*TP*G)-3', 5'-D(P*GP*CP*CP*G)-3', ...
Authors:Gosavi, R.A, Moon, A.F, Kunkel, T.A, Pedersen, L.C, Bebenek, K.
Deposit date:2011-11-18
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The catalytic cycle for ribonucleotide incorporation by human DNA Pol lambda
Nucleic Acids Res., 40, 2012
6P4V
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BU of 6p4v by Molmil
1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, ...
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2019-05-28
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
6QUE
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BU of 6que by Molmil
Structure of ovine transhydrogenase in the presence of NADP+ in a "single face-down" conformation
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Nicotinamide nucleotide transhydrogenase
Authors:Kampjut, D, Sazanov, L.A.
Deposit date:2019-02-27
Release date:2019-08-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure and mechanism of mitochondrial proton-translocating transhydrogenase.
Nature, 573, 2019
8VE5
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BU of 8ve5 by Molmil
(Biarylamine-FT2-WT)1(C10A)3-human transthyretin in the compressed conformation
Descriptor: 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID, Transthyretin
Authors:Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C.
Deposit date:2023-12-18
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
8VE6
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BU of 8ve6 by Molmil
(Biarylamine-FT2-WT)1(C10A)3-human transthyretin in the frayed conformation
Descriptor: 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID, Transthyretin
Authors:Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C.
Deposit date:2023-12-18
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:The conformational landscape of human transthyretin revealed by cryo-EM
To Be Published
5AC0
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BU of 5ac0 by Molmil
ovis aries Aldehyde Dehydrogenase 1A1 in complex with a duocarmycin analog
Descriptor: 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A.
Deposit date:2015-08-10
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues.
Angew.Chem.Int.Ed.Engl., 54, 2015
8UDK
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BU of 8udk by Molmil
Human Mitochondrial DNA Polymerase gamma R853A Ternary Complex
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (24-MER), DNA (28-MER), ...
Authors:Park, J, Herrmann, G.K, Yin, Y.W.
Deposit date:2023-09-28
Release date:2024-06-05
Method:X-RAY DIFFRACTION (3.43 Å)
Cite:An interaction network in the polymerase active site is a prerequisite for Watson-Crick base pairing in Pol gamma.
Sci Adv, 10, 2024
3CFP
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BU of 3cfp by Molmil
Structure of the replicating complex of a POL Alpha family DNA Polymerase, ternary complex 1
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*DAP*DCP*DAP*DGP*DGP*DTP*DAP*DAP*DGP*DCP*DAP*DGP*DTP*DCP*DCP*DGP*DCP*DG)-3'), ...
Authors:Wang, J, Klimenko, D, Wang, M, Steitz, T.A, Konigsberg, W.H.
Deposit date:2008-03-04
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into base selectivity from the structures of an RB69 DNA Polymerase triple mutant
To be Published
6W52
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BU of 6w52 by Molmil
Prefusion RSV F bound by neutralizing antibody RSB1
Descriptor: Fusion glycoprotein F0, Fusion glycoprotein F1 fused with Fibritin trimerization domain, RSB1 Fab Heavy Chain, ...
Authors:Harshbarger, W, Chandramouli, S, Malito, M.
Deposit date:2020-03-12
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.74 Å)
Cite:Convergent structural features of respiratory syncytial virus neutralizing antibodies and plasticity of the site V epitope on prefusion F.
Plos Pathog., 16, 2020

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