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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
6SBN
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BU of 6sbn by Molmil
Polyester hydrolase PE-H of Pseudomonas aestusnigri
Descriptor: ACETATE ION, SODIUM ION, polyester hydrolase
Authors:Bollinger, A, Thies, S, Kobus, S, Hoeppner, A, Smits, S.H.J, Jaeger, K.-E.
Deposit date:2019-07-22
Release date:2020-02-26
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:A Novel Polyester Hydrolase From the Marine BacteriumPseudomonas aestusnigri -Structural and Functional Insights.
Front Microbiol, 11, 2020
6SCN
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BU of 6scn by Molmil
33mer structure of the Salmonella flagella MS-ring protein FliF
Descriptor: Flagellar M-ring protein
Authors:Johnson, S, Fong, Y.H, Deme, J.C, Furlong, E.J, Kuhlen, L, Lea, S.M.
Deposit date:2019-07-24
Release date:2020-03-18
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Symmetry mismatch in the MS-ring of the bacterial flagellar rotor explains the structural coordination of secretion and rotation.
Nat Microbiol, 5, 2020
5MBK
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BU of 5mbk by Molmil
Structure of a bacterial light-regulated adenylyl cylcase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Beta subunit of photoactivated adenylyl cyclase, MAGNESIUM ION
Authors:Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I.
Deposit date:2016-11-08
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
6I3A
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BU of 6i3a by Molmil
Crystal structure of v22Pizza6-AYW, a circularly permuted designer protein
Descriptor: BROMIDE ION, v22Pizza6-AYW
Authors:Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D.
Deposit date:2018-11-05
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein.
Protein Sci., 2020
6UWP
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BU of 6uwp by Molmil
BACE-1 in complex with compound #32
Descriptor: (1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ...
Authors:Hendle, J, Timm, D.E.
Deposit date:2019-11-05
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
6M7K
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BU of 6m7k by Molmil
Structure of mouse RECON (AKR1C13) in complex with cyclic AMP-AMP-GMP (cAAG)
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C13, cyclic AMP-AMP-GMP
Authors:Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J.
Deposit date:2018-08-20
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019
7REE
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BU of 7ree by Molmil
High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059
Descriptor: Tyrosine-protein kinase JAK2, [3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-12
Release date:2021-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059.
To Be Published
6BN9
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BU of 6bn9 by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET70 PROTAC
Descriptor: Bromodomain-containing protein 4, DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.382 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
6C2I
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BU of 6c2i by Molmil
Structure of Bace-1 (Beta-Secretase) in complex with : N-(3-((1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Sickmier, E.A.
Deposit date:2018-01-08
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Diastereoselective synthesis of fused cyclopropyl-3-amino-2,4-oxazine beta-amyloid cleaving enzyme (BACE) inhibitors and their biological evaluation.
Bioorg. Med. Chem. Lett., 28, 2018
7RSI
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BU of 7rsi by Molmil
The cryo-EM map of KIF18A bound to KIFBP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, KIF-binding protein, Kinesin-like protein KIF18A, ...
Authors:Tan, Z, Solon, A.L, Schutt, K.L, Jepsen, L, Haynes, S.E, Nesvizhskii, A.I, Sept, D, Stumpff, J, Ohi, R, Cianfrocco, M.A.
Deposit date:2021-08-11
Release date:2021-09-08
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Kinesin-binding protein remodels the kinesin motor to prevent microtubule binding.
Sci Adv, 7, 2021
5MTK
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BU of 5mtk by Molmil
Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199)
Descriptor: (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1
Authors:Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D.
Deposit date:2017-01-09
Release date:2018-02-28
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Playing against the odds: scaffold hopping from 3D-fragments
To Be Published
8EA3
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BU of 8ea3 by Molmil
V-K CAST Transpososome from Scytonema hofmanni, major configuration
Descriptor: 30S ribosomal protein S15, ADENOSINE-5'-TRIPHOSPHATE, Cas12k, ...
Authors:Rizo, A.N, Park, J.-U, Tsai, A.W, Kellogg, E.H.
Deposit date:2022-08-27
Release date:2022-11-30
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structures of the holo CRISPR RNA-guided transposon integration complex.
Nature, 613, 2023
5MU4
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BU of 5mu4 by Molmil
Tail Tubular Protein A of Klebsiella pneumoniae bacteriophage KP32
Descriptor: Tail tubular protein A
Authors:Pyra, A, Brzozowska, E, Pawlik, K, Dauter, M, Dauter, Z, Gamian, A.
Deposit date:2017-01-12
Release date:2017-05-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tail tubular protein A: a dual-function tail protein of Klebsiella pneumoniae bacteriophage KP32.
Sci Rep, 7, 2017
8EAL
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BU of 8eal by Molmil
SsoMCM hexamer bound to Mg/ADP-BeFx and DNA. Class 1. Merged particles from datasets with 3 different DNA entities
Descriptor: DNA, MAGNESIUM ION, Minichromosome maintenance protein MCM, ...
Authors:Meagher, M, Myasnikov, A, Enemark, E.J.
Deposit date:2022-08-29
Release date:2022-12-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:Two Distinct Modes of DNA Binding by an MCM Helicase Enable DNA Translocation.
Int J Mol Sci, 23, 2022
8TLS
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BU of 8tls by Molmil
Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S Y108A variant
Descriptor: CYANIDE ION, Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Schultz, T.D, Martinez, J.E, Siegler, M.A, Schlessman, J.L, Lecomte, J.T.J.
Deposit date:2023-07-27
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S Y108A variant
To Be Published
7U6O
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BU of 7u6o by Molmil
Glutamine Synthetase Type III from Ostreococcus tauri
Descriptor: Glutamine synthetase
Authors:Novikova, I.V, Powell, S.M, Evans, J.E.
Deposit date:2022-03-04
Release date:2023-03-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Eukaryotic Glutamine Synthetase Type III Assembles as a Hexamer and Lacks Ring-Ring Quaternary Contacts.
To Be Published
6M9C
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BU of 6m9c by Molmil
PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR Pseudotyrostatin
Descriptor: ACETIC ACID, CALCIUM ION, Pseudotyrostatin, ...
Authors:Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K.
Deposit date:2018-08-23
Release date:2018-10-24
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase
Biochemistry, 40, 2001
6M9R
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BU of 6m9r by Molmil
Crystal structure of SznF from Streptomyces achromogenes var. streptozoticus NRRL 2697 with a bound N(delta)-hydroxy-N(omega)-methyl-L-arginine intermediate
Descriptor: (2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate, FE (III) ION, SznF
Authors:Rohac, R, Mitchell, A.J, Boal, A.K.
Deposit date:2018-08-24
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:An N-nitrosating metalloenzyme constructs the pharmacophore of streptozotocin.
Nature, 566, 2019
5MC9
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BU of 5mc9 by Molmil
Crystal structure of the heterotrimeric integrin-binding region of laminin-111
Descriptor: CALCIUM ION, Laminin subunit alpha-1, Laminin subunit beta-1, ...
Authors:Pulido, D, Hohenester, E.
Deposit date:2016-11-09
Release date:2017-02-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal Structure of the Heterotrimeric Integrin-Binding Region of Laminin-111.
Structure, 25, 2017
8DXS
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BU of 8dxs by Molmil
Cryo-EM structure of RBD-directed neutralizing antibody P2B4 in complex with prefusion SARS-CoV-2 spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, P2B4 Heavy chain, P2B4 Light chain, ...
Authors:Reddem, E.R, Shapiro, L.
Deposit date:2022-08-03
Release date:2022-12-07
Last modified:2023-01-18
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Structural insights into broadly neutralizing antibodies elicited by hybrid immunity against SARS-CoV-2.
Emerg Microbes Infect, 12, 2023
8EAI
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BU of 8eai by Molmil
SsoMCM hexamer bound to Mg/ADP-BeFx and 16-mer oligo-dT. Class 2
Descriptor: 16-mer oligo-dT, MAGNESIUM ION, Minichromosome maintenance protein MCM, ...
Authors:Meagher, M, Myasnikov, A, Enemark, E.J.
Deposit date:2022-08-29
Release date:2022-12-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Two Distinct Modes of DNA Binding by an MCM Helicase Enable DNA Translocation.
Int J Mol Sci, 23, 2022
6IBD
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BU of 6ibd by Molmil
The Phosphatase and C2 domains of Human SHIP1
Descriptor: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Williams, E.P, Fernandez-Cid, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2018-11-29
Release date:2019-01-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
6US4
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BU of 6us4 by Molmil
MTH1 in complex with compound 32
Descriptor: 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase
Authors:Newby, Z.E.R, Lansdon, E.B.
Deposit date:2019-10-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95032907 Å)
Cite:Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
8DW9
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BU of 8dw9 by Molmil
Crystal structure of neutralizing antibody D29 Fab in complex with SARS-CoV-2 spike receptor binding domain (RBD)
Descriptor: D29 Fab light chain, D29 Heavy chain, Spike protein S1
Authors:Reddem, E.R, Shapiro, L.
Deposit date:2022-08-01
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural insights into broadly neutralizing antibodies elicited by hybrid immunity against SARS-CoV-2.
Emerg Microbes Infect, 12, 2023

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數據於2024-10-16公開中

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